smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C=CCOc1c(Br)cc(CNc2nnnn2CCC)cc1OC 7263313 UQCGHTORWOOBFU-UHFFFAOYSA-N 382.262 3.031 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)CNC(=O)c1ccccc1OC 12994432 MRHSDCIIRJVZSF-UHFFFAOYSA-N 378.881 3.355 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5449613 GPULJNLIPWWOMZ-IBGZPJMESA-N 385.376 3.066 30 40 GGEB Cc1ccc2c(c1C)NC(=O)/C2=N\NS(=O)(=O)c1ccc2ccccc2c1 17077552 ASMJJAHDWQCPCM-UHFFFAOYSA-N 379.441 3.091 30 40 GGEB CCCCNC(=O)c1csc(Nc2cccc([C@H]3CCCN3CC#N)n2)n1 585294037 MWWWKQNXYLSRCR-MRXNPFEDSA-N 384.509 3.472 30 40 GGEB CCOC(=O)c1sc2cccc(F)c2c1Cn1nc(C)c(C)c(C#N)c1=O 31756609 YISLJNDXMHBOGJ-UHFFFAOYSA-N 385.420 3.311 30 40 GGEB N#Cc1c(SCCN2CCOCC2)nc(N2CCCCC2)c2c1CCCC2 20591284 QHSGWLQPCJLUDU-UHFFFAOYSA-N 386.565 3.247 30 40 GGEB N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc2n(c1=N)CCc1cc3c(cc1-2)OCO3 101360341 DAWSLOOWVNAYPK-UHFFFAOYSA-N 386.367 3.366 30 40 GGEB CCOC(=O)c1c(C)nc2[nH]c(=O)c(C#N)c(N)c2c1-c1ccc(Cl)cc1 6655932 HHNNTSYASMRPMD-UHFFFAOYSA-N 382.807 3.183 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccncc2)/C1=C(\O)c1ccc(F)cc1 102932467 HNJDSWHGSUEGTE-WOOAAIBNSA-N 389.386 3.238 30 40 GGEB C#CCN(C(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)C1CCCCC1 58051114 DZMMUAHRSGMRJF-UHFFFAOYSA-N 390.439 3.484 30 40 GGEB N#Cc1ccc(OCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8230555 QQPSUAZBTPFDLN-IBGZPJMESA-N 378.428 3.462 30 40 GGEB C=CCOC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12 2280221 ZRZQMQVXEUBDKN-UHFFFAOYSA-N 388.383 3.227 30 40 GGEB C[C@@H]1Cc2ccccc2N1/C(S)=N/c1cccc(S(=O)(=O)N(C)C)c1 13637309 MCTQOTZYRILMOW-CYBMUJFWSA-N 375.519 3.305 30 40 GGEB CCNC(=O)c1cccc(NC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1 8711001 BEKCDXLKZTYCAY-UHFFFAOYSA-N 382.489 3.359 30 40 GGEB Fc1ccccc1/C=N/N=c1[nH]c2nonc2nc1Nc1cccc(Cl)c1 408734921 HHZSWKZTZWOIQL-AWQFTUOYSA-N 383.774 3.417 30 40 GGEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)C1=O 409241061 NCPSQPWLNGPYRC-DPEZACMMSA-N 377.418 3.158 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220478928 WJILIBVUIDBRMC-CQSZACIVSA-N 392.452 3.184 30 40 GGEB C#CCn1c(C)c(C(c2c(O)n[nH]c2C)c2c(O)n[nH]c2C)c2ccccc21 14134630 UISAZZPTUXHOLY-UHFFFAOYSA-N 375.432 3.237 30 40 GGEB C/C(=N/OCc1nc2c3c4c(sc3ncn2n1)CN(C)CC4)c1cccs1 19950315 BTDHDNHRLWSKQH-JJFYIABZSA-N 398.517 3.329 30 40 GGEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(Cl)c3Cl)[C@]12C#N 100157896 JVADAEPYKLFVFA-IMJJTQAJSA-N 379.247 3.208 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1cnccn1 2359417 OHJDQEMKRDLASK-UHFFFAOYSA-N 396.476 3.051 30 40 GGEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc(OC)c1OC 100765837 WXYSUVGZOLCSMW-RTBURBONSA-N 397.519 3.180 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)NCc1cccc(NC(=O)C(C)C)c1 13019164 RRIOUNSIEOPADF-UHFFFAOYSA-N 395.507 3.257 30 40 GGEB C#CCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(NC(C)=O)ccc21 100875810 TURUNJVMHMSWGP-NZXQABLRSA-N 375.453 3.435 30 40 GGEB N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCN1CCOCC1 20392540 WMHQXDTZWIMGSL-UHFFFAOYSA-N 376.460 3.424 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102856742 KFUJLKUSMMLATH-FCQICNGXSA-N 399.468 3.357 30 40 GGEB CCNC(=S)N/N=C/c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 107935538 LTWOCVLEMLSWCH-FSJBWODESA-N 393.516 3.406 30 40 GGEB C=CCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc(OC)c1OC 100765836 WXYSUVGZOLCSMW-OALUTQOASA-N 397.519 3.180 30 40 GGEB C=CCOc1ccc(C(=O)N2CCC(C(=O)Nc3ccccn3)CC2)cc1OC 48364593 TYCFYIYZDPDZSY-UHFFFAOYSA-N 395.459 3.146 30 40 GGEB C=CCN(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(OC)cc1 13957875 IOWMKSALKTXPAZ-UHFFFAOYSA-N 399.472 3.431 30 40 GGEB O=C1CCCC2=C1[C@H](c1cccc(F)c1)c1c([nH]c(N3CCCCC3)nc1=O)N2 22607019 ZUUAHFDCAHTCTI-KRWDZBQOSA-N 394.450 3.464 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 32503308 JYEJBIWTOWZXEH-UOOAFGRTSA-N 394.562 3.028 30 40 GGEB COc1ccc(NC(=O)[C@@](C)(C#N)c2ccccc2)cc1C(=O)N1CCCC1 225960744 ZCVJNYJWXVUYID-QFIPXVFZSA-N 377.444 3.351 30 40 GGEB C=CCOc1ccc(NC(=O)C(C)(C)NS(=O)(=O)Cc2ccccc2)cc1 225924038 GKAATDIAMCRUET-UHFFFAOYSA-N 388.489 3.088 30 40 GGEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccccc1C 223734645 JSHQGSHUYYZSKO-QOCHGBHMSA-N 383.473 3.290 30 40 GGEB Cc1n[nH]c(=S)n(/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1=O 18192500 ZZBNHRZMKPVJQN-REZTVBANSA-N 391.796 3.313 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)cc1 19902898 UDDHIRXDGVSFGZ-HXUWFJFHSA-N 394.471 3.144 30 40 GGEB Cc1nc2nc(O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccccc1 4386163 WWZQUBNUIFVZJT-OAHLLOKOSA-N 375.432 3.339 30 40 GGEB CCOC(=O)[C@@](O)(c1ccc(N(C)C(=O)O/N=C(\C)Cl)cc1)C(F)(F)F 100681985 KMDSPZIRLHLQBI-IEEVUCOHSA-N 396.749 3.145 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@@H]1c1cccs1 102541171 WNXHBFRTZJHSJV-HVESIFNPSA-N 387.457 3.133 30 40 GGEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)C1CC1 12390536 VNPWTBYNSUZIDW-UHFFFAOYSA-N 388.489 3.481 30 40 GGEB Cc1ccc(N/C(=N\OCC(=O)Nc2c(C)cccc2C)c2nonc2N)cc1 13591071 RKMJIOSMCHXIHW-UHFFFAOYSA-N 394.435 3.006 30 40 GGEB C=CCOc1ccccc1[C@H]1C2=C(Nc3nc(N)[nH]c(=O)c31)c1ccccc1C2=O 4387149 BWVUZAXEULFEBT-INIZCTEOSA-N 398.422 3.082 30 40 GGEB CC(C)Nc1oc(-c2ccc(S(=O)(=O)N(C)c3ccccc3)o2)nc1C#N 71284628 HMVYDMYZQYBDSK-UHFFFAOYSA-N 386.433 3.452 30 40 GGEB Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 409408107 IPSJBYFZEOJVHO-MRXNPFEDSA-N 385.489 3.163 30 40 GGEB O=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)c(Br)o1 408952817 NAUDUTLHCOVXIW-OMCISZLKSA-N 398.010 3.435 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 13004939 ZDTLNXACDMGEGL-IBGZPJMESA-N 381.428 3.228 30 40 GGEB COc1ccc(C(=O)[C@H](CCC(=O)/C=C\c2ccccc2)S(C)(=O)=O)cc1 17139543 PCXUKZBEDIBADR-WUQYLLKWSA-N 386.469 3.354 30 40 GGEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c([N+](=O)[O-])cc1OC 409043471 FLOGOFJASKMUJV-SDPNRITHSA-N 393.215 3.326 30 40 GGEB C/C(=C\C(=O)c1ccc(Cl)cc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 6652309 YYBSXCZLQFODFH-CHOPQTOISA-N 390.823 3.019 30 40 GGEB C=CCN(c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1)S(C)(=O)=O 218389475 CDWXNOXZDXSOHX-UHFFFAOYSA-N 390.480 3.140 30 40 GGEB Cc1ccc(CN2CCC[C@@]3(CCN(S(=O)(=O)c4ccc(C#N)cc4)C3)C2)o1 96215940 PGIQDXMMVMBLSU-OAQYLSRUSA-N 399.516 3.137 30 40 GGEB N#CC1(C#N)[C@H](c2cccc([N+](=O)[O-])c2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 5065558 FGHKBSLLXQNWTG-ILRDRHFLSA-N 377.360 3.104 30 40 GGEB CN1C/C(=C/c2ccccc2[N+](=O)[O-])C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C1 17250518 BHUSMMHAJOOVIE-VRNBXGKJSA-N 379.372 3.485 30 40 GGEB O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccnc1 100914358 BZBWWQBYPXQVLI-DUIUGDAFSA-N 387.395 3.248 30 40 GGEB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1/N=C/c1ccc2c(c1)OCO2 3045252 ADIGLTQTGZQNJU-ZVBGSRNCSA-N 389.323 3.107 30 40 GGEB CCCN1C(=O)/C(=N\OCC(=O)N2CCCc3ccccc32)c2ccccc21 3318603 CHNBVFRSGGQWRM-LNVKXUELSA-N 377.444 3.143 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Br)c1)CC(=O)N2 4944231 BBAOKJJOIQTAMS-NSHDSACASA-N 392.278 3.285 30 40 GGEB COc1ccc([C@@H]2CCc3cc4c(cc3/C2=N\OC(C)=O)OCO4)cc1OC 5663742 ZLNILMHQBVKPMC-WNIYRAMRSA-N 383.400 3.430 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc(OC)cc1 6002189 QJRFSQBBLIAFPI-HNNXBMFYSA-N 383.473 3.455 30 40 GGEB C#CCOc1ccc(C[C@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1OC 6951951 AZEJGANLABQUFA-GOSISDBHSA-N 398.509 3.074 30 40 GGEB CCOc1cc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 13535730 NPGBVOQBCJDFFM-RBZFPXEDSA-N 392.415 3.391 30 40 GGEB COC(=O)COc1c(Cl)cc(/C=N/Nc2nc3ccccc3[nH]2)cc1OC 14134275 YPHJOEAXHQTXPN-AWQFTUOYSA-N 388.811 3.223 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 32913554 JNOIKICXWXXVCW-UHFFFAOYSA-N 398.488 3.046 30 40 GGEB CC1CCN(S(=O)(=O)c2ccc(-c3nc(C#N)c(NC4CC4)o3)cc2)CC1 36627818 ZDNFHXVPZKMZCT-UHFFFAOYSA-N 386.477 3.208 30 40 GGEB CCCc1[nH]nc(C(=O)NCC#Cc2ccc(C(F)(F)F)cc2)c1[N+](=O)[O-] 78992558 SCGDZVGMYOCDET-UHFFFAOYSA-N 380.326 3.071 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccc(F)c2)/C1=C(\O)c1cccs1 102932985 XUCOPGFHAVUPCG-ILCKISKLSA-N 387.432 3.488 30 40 GGEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222259698 PZWBSSICWQQYSR-STCUEMLKSA-N 391.383 3.386 30 40 GGEB COCc1cc(C)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1C#N 409411577 JOMHOHUBSBASAA-UHFFFAOYSA-N 380.231 3.120 30 40 GGEB COc1ccccc1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12 6623806 AQSSCMNLIVYIHH-GYQXVMMRSA-N 385.504 3.312 30 40 GGEB COc1ccc(/C=N/OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2447486 UDLYEEDGGDTLFB-BHGWPJFGSA-N 399.414 3.023 30 40 GGEB COC(=O)CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(C[C@H](C)CC1=O)N2 22608568 HVMMHHBAODAENO-KPZWWZAWSA-N 398.488 3.120 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)COC2CCCC2)cc1C(F)(F)F 48514191 VHVGKIUYKQGOLD-UHFFFAOYSA-N 376.356 3.181 30 40 GGEB COc1ccc(/C=C/c2nc(C#N)c(NCCCn3ccnc3)o2)cc1OC 8493398 LJKBDOVFMKYQHP-FNORWQNLSA-N 379.420 3.433 30 40 GGEB N#Cc1ccsc1NC(=O)COC(=O)C(O)(c1ccccc1)c1ccccc1 9180363 BECBEWQRKMWFMD-UHFFFAOYSA-N 392.436 3.038 30 40 GGEB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)COc1ccc(C#N)cc1 6589750 ZKMHVCYYXKJPSH-UHFFFAOYSA-N 376.416 3.424 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(F)cc1)C(C(=O)OC)=C(C)N2 8132291 FQHTVZXNZZKITA-CQSZACIVSA-N 387.436 3.192 30 40 GGEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N 19810045 YSENXGDQCWIMCA-UHFFFAOYSA-N 377.351 3.157 30 40 GGEB C#CCNS(=O)(=O)c1cccc(C(=O)O[C@@H](C)c2ccccc2Cl)c1 9515343 BVCATRZHXBOBDI-ZDUSSCGKSA-N 377.849 3.170 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)c1 19973909 LZUHFMNNGBLWTL-IBGZPJMESA-N 398.459 3.208 30 40 GGEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 79102753 AJLZRJFRLNUGQW-ZWKOTPCHSA-N 398.459 3.434 30 40 GGEB O=C1CSC(=S)N1/N=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 409338493 KWVLXEWAKUAWIT-NVMNQCDNSA-N 387.442 3.368 30 40 GGEB O=C(COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1)Nc1ccccc1 409101505 UKAFJJHKQPIENM-LPYMAVHISA-N 391.387 3.453 30 40 GGEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225085564 SWLHZQJIAYBURG-UHFFFAOYSA-N 390.417 3.056 30 40 GGEB CCCCCCCNC(=O)CCC(=O)NCCc1ccc(OC)c(OC)c1 98045216 NGEJNFJUJZCFGP-UHFFFAOYSA-N 378.513 3.229 30 40 GGEB N#C[C@]1(C=O)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516440 SNTUKNOLCVFLLZ-BBWFWOEESA-N 390.258 3.098 30 40 GGEB CCN1CCN(c2cc3c(cc2F)c(=O)c(C#N)cn3Cc2ccccc2)CC1 1775967225 JLHANKKRCHEEBA-UHFFFAOYSA-N 390.462 3.202 30 40 GGEB COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 794994 BIDPDUMNLFPJSJ-CRAIPNDOSA-N 383.400 3.046 30 40 GGEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2381824 VIUDPZBXTYZPHE-INIZCTEOSA-N 382.464 3.197 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 5799825 FEQWVPRQZDROBB-LFVOPCPISA-N 382.435 3.199 30 40 GGEB C[C@@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(C#N)cc3)c2)C1 6680967 VGSSWQVREOEYKL-CYBMUJFWSA-N 389.502 3.293 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)o1 102879728 PXQJXRKZTZTFAG-WOOAAIBNSA-N 394.427 3.318 30 40 GGEB COc1cc2c(cc1OC)CN(C(=O)CSc1nc(C)cc(C)c1C#N)CC2 809305 CDAJLEUTIJZOPQ-UHFFFAOYSA-N 397.500 3.264 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4cccnc4)nc13)O2 5345875 GSQCHPVMFPHMQA-KRWDZBQOSA-N 385.383 3.311 30 40 GGEB CCOC1(OCC)[C@@H](c2ccc(OC)cc2)C(C#N)(C#N)C1(OCC)OCC 4568239 HZCNWVPDBKAQBU-SFHVURJKSA-N 388.464 3.365 30 40 GGEB CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 6638198 TXJBBDSTEPUFRW-CQSZACIVSA-N 382.489 3.178 30 40 GGEB COc1cc([C@@H]2C3=C(NC(=S)N2C)c2ccccc2C3=O)cc(OC)c1OC 8782172 INTJRXBMPAHYKL-GOSISDBHSA-N 396.468 3.181 30 40 GGEB N#Cc1ccsc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 9469334 CSVKRNPYHQUVGQ-UHFFFAOYSA-N 380.429 3.193 30 40 GGEB O=[N+]([O-])c1ccc2nc(Cl)c(/C=N/NS(=O)(=O)c3ccccc3)cc2c1 408727129 DLROJWAJSAZZEA-VCHYOVAHSA-N 390.808 3.109 30 40 GGEB O=C(C[C@@H]1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Cl)cc1 16712589 RLJSJTNXRFDXBJ-AWEZNQCLSA-N 375.837 3.294 30 40 GGEB COC(=O)Cn1/c(=N\N=C(\C)c2ccc([N+](=O)[O-])cc2)sc2ccccc21 5498577 KBPMMRMRFPTHLK-JLKBWNLUSA-N 384.417 3.109 30 40 GGEB N#CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N1c1ccccc1 2772603 XOIQIRWDFDPGSR-RVDMUPIBSA-N 398.216 3.449 30 40 GGEB COc1ccc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1[N+](=O)[O-] 100032493 SNGOGHJPTYIINA-CXUHLZMHSA-N 375.297 3.256 30 40 GGEB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 32880036 DWKZDWFRKPLBPC-OAHLLOKOSA-N 393.447 3.297 30 40 GGEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)C1CCCCC1 102698894 QIWYPYBVRVDVPS-XSAFGROZSA-N 396.509 3.007 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)c1 52411005 CAVAFKICTCBCGT-UHFFFAOYSA-N 394.880 3.310 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc(Br)cc1 2916587 GQTXBLXGRLXBIR-CQSZACIVSA-N 375.226 3.059 30 40 GGEB COc1ccc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1O 409127342 JDPVOCGNSMXNQQ-DHDCSXOGSA-N 388.832 3.455 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)cc1C 12765536 ZXGYRZBAHAEWOA-UHFFFAOYSA-N 397.500 3.215 30 40 GGEB C/C(=N\N=C1\NC(=O)C[C@H](C(=O)Nc2ccc(F)cc2)S1)c1cccs1 5910188 DCUXHKDKADFBPH-YVJZOELXSA-N 390.465 3.228 30 40 GGEB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(C#N)cc3F)nn12 408573810 OKOVQWZPGANNPX-UHFFFAOYSA-N 378.392 3.424 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218341747 OCMVOPBDXUPHRP-JENIJYKNSA-N 389.860 3.353 30 40 GGEB C=CCN1CCN(C(=O)CCC)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351856 QKWNGCOGJXZKPV-OAQYLSRUSA-N 377.488 3.317 30 40 GGEB C=CCOc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1 219975436 ZTCUHVCOKGPJMA-UHFFFAOYSA-N 386.473 3.288 30 40 GGEB COc1cc(C#CC(=O)OC/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC 1708301 VQKDDERZYZYUPT-SNAWJCMRSA-N 396.395 3.049 30 40 GGEB N#Cc1ccc(COCC2CCN(CC(=O)NCc3ccc(F)cc3)CC2)cc1 77191671 JTKOWFAVLHLJLB-UHFFFAOYSA-N 395.478 3.242 30 40 GGEB Cc1ccc(C)c(-n2nnnc2S[C@H](C)C(=O)Nc2sccc2C#N)c1 8375565 XEZYMSXLNMOOED-GFCCVEGCSA-N 384.490 3.332 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 8135250 HXNFDDGDPNZIDN-OAHLLOKOSA-N 399.472 3.061 30 40 GGEB C/C(=N/N)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104295664 XKEMNIJCNUTONK-YYYMTMQRSA-N 379.460 3.143 30 40 GGEB N#Cc1ccsc1NC(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 22789403 DUKCLBYOVGFOJD-UHFFFAOYSA-N 394.953 3.481 30 40 GGEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1Cl 8246060 ZCVWDLOSIUBMRD-OAHLLOKOSA-N 385.826 3.380 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 48461804 YYKNWKBALRBNLM-CABCVRRESA-N 377.393 3.046 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3C(=O)Nc2ccccc2)cc1 9375037 PTOZSOMXBLKLOY-QAPCUYQASA-N 390.439 3.171 30 40 GGEB CCOC(=O)COc1ccccc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F 409039293 RDUCJDWCZCTERD-QPJQQBGISA-N 390.255 3.342 30 40 GGEB N#Cc1nc(-c2ccc(F)cc2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138154312 IZHZWLLTROYCKR-DZGCQCFKSA-N 376.391 3.138 30 40 GGEB N#Cc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccncc2)cc1Cl 95466383 RWGJSQNUMHMTEA-UHFFFAOYSA-N 375.759 3.364 30 40 GGEB C[C@H]1C[C@@H](C)CN(C(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)C1 12652533 RHFYGWZRNHQSAS-ADPNTOFOSA-N 385.386 3.151 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ncccc4C#N)C3)ccc2n1 2087043807 VMFPYEFBWFVKSA-OAHLLOKOSA-N 376.464 3.199 30 40 GGEB CN(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795079 UICLVEDAOHWFEU-QFBILLFUSA-N 396.443 3.103 30 40 GGEB N#Cc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 7059868 ANEDJPREPPOEHS-UHFFFAOYSA-N 395.406 3.088 30 40 GGEB O=C1[C@H](/C(O)=N/O[C@H]2CCCCO2)CCN1c1cccc(Br)c1 58419255 JSEYYBGFGWITSL-KBPBESRZSA-N 383.242 3.217 30 40 GGEB CCOC(=O)c1sc(NC(=O)c2cc3ccccc3oc2=O)c(C#N)c1C 2483693 XEHFOTLTKXNGQB-UHFFFAOYSA-N 382.397 3.464 30 40 GGEB COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 4936719 WYEZDKBTZQMRAG-LUKYLMHMSA-N 396.491 3.297 30 40 GGEB N#Cc1c(O)nc(SCC(=O)NCCc2ccccc2)nc1-c1ccccc1 7995173 DMFUACAXHKPPKA-UHFFFAOYSA-N 390.468 3.172 30 40 GGEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(CC)cc2)C1=O 408801088 SOULNBASIWNBSV-NBVRZTHBSA-N 376.412 3.480 30 40 GGEB C=CCNC(=O)C1(C[C@@H]2CC(c3ccccc3)=NO2)CCN(C(=O)C(C)C)CC1 12219993 JXMOECABZVPSJT-IBGZPJMESA-N 397.519 3.137 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 19592849 HIJNEGDPVNSYMY-IBGZPJMESA-N 398.528 3.077 30 40 GGEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N1CCN(c2ccccn2)CC1 6383629 GOVOSVHBFKXPPN-HZHRSRAPSA-N 380.883 3.385 30 40 GGEB COc1ccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)cc1 113481475 BXLLWAAMDDDBFZ-INIZCTEOSA-N 380.429 3.009 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N\c1nnc(C)s1 100602936 ZVRLJEDGWNWBET-LFDVSTSGSA-N 386.458 3.335 30 40 GGEB CC(=O)c1ccc(NC(=O)COc2nc(C)c3c(c2C#N)CC(C)(C)OC3)cc1 12324504 KAJLQTPKQCVRNF-UHFFFAOYSA-N 393.443 3.333 30 40 GGEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O[C@@H](C)C(=O)O)C1=O 409241065 NCPSQPWLNGPYRC-MGPVMZAGSA-N 377.418 3.158 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 6590857 YDLKGKKODDMAGA-FQEVSTJZSA-N 389.452 3.245 30 40 GGEB COc1cc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3)cc2)nc(OC)n1 4795177 DFEQKSJRWINRKX-DEDYPNTBSA-N 398.444 3.045 30 40 GGEB CC(C)c1ccc([C@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 19961561 LNPMKJBKZVCXDH-DLBZAZTESA-N 391.475 3.107 30 40 GGEB N#Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683576 WEOMRASEVRIBHO-KRWDZBQOSA-N 389.864 3.003 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)cc1 224864778 FIWHEOKLFBIGMD-UHFFFAOYSA-N 375.446 3.172 30 40 GGEB S=C(N/N=C/c1cc2c(cc1Br)OCO2)Nc1ccccc1 5338387 XILLEMRMRRDNTD-CAOOACKPSA-N 378.251 3.498 30 40 GGEB C=CCOc1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1 55722960 FXJUCUWCAQPMKB-UHFFFAOYSA-N 386.473 3.288 30 40 GGEB CCc1ccc(N/N=C(\C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)cc1 25286892 NAVDAKWZZCWMTP-VUTHCHCSSA-N 398.474 3.300 30 40 GGEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccccc1C)C1=C(N2)c2ccccc2C1=O 3646428 MOPAFBTUYVNJDQ-INIZCTEOSA-N 385.423 3.030 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 13127730 RTEVBHWQNNDLIP-FQEVSTJZSA-N 393.487 3.310 30 40 GGEB CCCCNC(=S)N(C)/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 7779526 LDTASEYYUPVBTE-FYJGNVAPSA-N 389.477 3.448 30 40 GGEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 553239626 FZYIJGLNEZBKNW-AFYVEPGGSA-N 385.508 3.410 30 40 GGEB Cc1cccc2cc(C#N)c(SCC(=O)N3CC(=O)Nc4ccccc43)nc12 4849059 WNIUAMDYECDYGY-UHFFFAOYSA-N 388.452 3.492 30 40 GGEB aggregator COCc1cc(C)nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1C#N 6966861 CVQJCJKLPJXKDW-UHFFFAOYSA-N 386.433 3.356 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@H]1c1ccc(C)cc1 102702682 FVQVJZMNXCEADR-YDJIHCHBSA-N 395.455 3.380 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 102787575 GEQAWOZJEYGDBP-JUYAQJEESA-N 389.521 3.264 30 40 GGEB O=C1/C(=C/c2c[nH]c3ccccc23)Oc2c1ccc(O)c2CN1CCOCC1 2430627 PPMIIBNMPNFXOK-JAIQZWGSSA-N 376.412 3.322 30 40 GGEB C#CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@H]1CCc2ccccc21 47406029 VUVGCHLTCXMLDM-IBGZPJMESA-N 379.416 3.165 30 40 GGEB COc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 48513951 ALMMTKBSIIQUHN-UHFFFAOYSA-N 384.335 3.279 30 40 GGEB C[C@H]1Cc2ccccc2N1/C(S)=N/c1cccc(S(=O)(=O)N(C)C)c1 13637311 MCTQOTZYRILMOW-ZDUSSCGKSA-N 375.519 3.305 30 40 GGEB CC(C)[C@H](C#N)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 65553523 SAZUMOZLQNAHNZ-HNNXBMFYSA-N 384.705 3.408 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(C(=O)O)ccc3Cl)cc2C1=O 8429636 WJMWVEYOMBZBOR-UHFFFAOYSA-N 384.775 3.073 30 40 GGEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1cccc(O)c1 17782822 GWVXQSBCYYKLHY-HXUWFJFHSA-N 376.412 3.401 30 40 GGEB CC1CCN(Cc2ccc(CNS(=O)(=O)c3ccccc3C#N)cc2)CC1 30008422 VHUZQVKEYXVIJL-UHFFFAOYSA-N 383.517 3.269 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Br)C1=O 21242175 WHJLBNQQORQKDB-SFHVURJKSA-N 384.233 3.288 30 40 GGEB COc1ccc(/C=N/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccccc2)cc1 4480955 ZNMVGHHYRVOWAY-ANDUYWROSA-N 383.429 3.008 30 40 GGEB Cc1ccc(C(C)(C)C)cc1S[C@@H]1C/C(=N/NC(N)=S)[C@H]2OC[C@@H]1O2 4689905 IWSHBYRABQSLRS-DGNYFOHOSA-N 379.551 3.088 30 40 GGEB C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cccc(OCC)c21 100909861 FLIUNWKKPQPMSN-VXPUYCOJSA-N 381.413 3.384 30 40 GGEB O=C1N[C@@H](c2ccccc2F)/C(=C(\O)c2ccc(Br)cc2)C1=O 101062559 UYQZXJRUTXAALH-MRPLLJTBSA-N 376.181 3.298 30 40 GGEB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(OCC#N)cc2)cc1 41817286 SXOPZENVUONJAS-UHFFFAOYSA-N 379.445 3.457 30 40 GGEB CN(CC(=O)Nc1cc(Cl)ccc1C#N)Cc1ccccc1N1CCOCC1 12556356 NPQNLWBQYYKXNI-UHFFFAOYSA-N 398.894 3.119 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc1 12551396 WJPGHNWIEATYPM-MRXNPFEDSA-N 387.443 3.435 30 40 GGEB C=CCn1cnn(CN(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)c1=S 27539441 SVABJWZKBAEIDJ-UHFFFAOYSA-N 383.521 3.114 30 40 GGEB C=CCn1c(SCC(=O)N[C@H](C)C(C)C)nc2sc(CC)cc2c1=O 3417723 WZCKNWURWLKHOD-GFCCVEGCSA-N 379.551 3.459 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2c(F)cccc2F)cc1OC 48492452 BTIUZHLBPUXBPK-VQHVLOKHSA-N 383.372 3.341 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1OC 5427771 QQAUDNVQAPKJPT-RNODOKPDSA-N 392.415 3.304 30 40 GGEB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nc(N)c(C#N)cc1C#N 19182148 IHZZACSCWDSWTM-UHFFFAOYSA-N 379.489 3.246 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 19138149 VVCQSEUUWSLXTE-UYAOXDASSA-N 393.439 3.458 30 40 GGEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 79102731 AJLZRJFRLNUGQW-MSOLQXFVSA-N 398.459 3.434 30 40 GGEB C=CCN1C(=O)S/C(=C/c2ccc(OCC(=O)OCC)c(OCC)c2)C1=O 409105283 MDRUIMDFVVHKPS-LFIBNONCSA-N 391.445 3.250 30 40 GGEB C=CCn1c(SCc2cccs2)nnc(Nc2ccc(C(N)=O)cc2)c1=O 28538743 CKCSJEBDJRSQRL-UHFFFAOYSA-N 399.501 3.021 30 40 GGEB CCNC(=S)N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 34877431 OSYWDZMUYUULCW-IUXPMGMMSA-N 397.254 3.435 30 40 GGEB C=CCOc1ccc(NC(=O)[C@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1 225949663 VWDWCEPGWPPISD-FQEVSTJZSA-N 386.473 3.189 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C#N 225772793 JNEOURBXAITMCT-UHFFFAOYSA-N 378.428 3.479 30 40 GGEB COc1ccc(/C=C2\S/C(=N\N=c3\[nH]c4ccccc4s3)NC2=O)cc1 15057163 VBBLDFYLSLJFKC-GDNBJRDFSA-N 382.470 3.314 30 40 GGEB O=C1C(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)=CO[C@@H]2C=CC=C[C@@H]12 17078263 CLYANVQYQSKDFJ-JIQCAUBZSA-N 383.400 3.499 30 40 GGEB CCOC(=O)N1C[C@@H](C)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C 8663702 UHQXUOPXEWVVTK-SQOMMQFJSA-N 379.373 3.158 30 40 GGEB COc1ccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)cc1 6669668 MPJYFQNOJRBRJJ-UHFFFAOYSA-N 394.456 3.246 30 40 GGEB CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 100891816 WRBISAJXHGRSOW-HMMYKYKNSA-N 375.768 3.462 30 40 GGEB COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@@H]4[C@@H]21 105380025 DNRINTCEPXFLKL-XBKWWEPNSA-N 399.531 3.353 30 40 GGEB biogenic O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 48461806 YYKNWKBALRBNLM-HUUCEWRRSA-N 377.393 3.046 30 40 GGEB CN(C)c1ccc(/C=C2\S/C(=N\N=C\c3ccc(N(C)C)cc3)NC2=O)cc1 5127428 WKAFOHLDKXQQKE-JWZHWXDPSA-N 393.516 3.413 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 7191256 ZHCJWFAGBDQCKH-MRXNPFEDSA-N 385.537 3.349 30 40 GGEB Cc1c(C(=O)N2CCC(Oc3ncccc3C#N)CC2)cnn1-c1ccccc1 96119269 NJMIHFZGDQHUNI-UHFFFAOYSA-N 387.443 3.131 30 40 GGEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713368 KLOGUELEAWPKFG-LJQANCHMSA-N 385.489 3.244 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3scnc3C)CCCCC2)cn1 12144127 FVBZGQQRWIJOSK-UHFFFAOYSA-N 382.489 3.289 30 40 GGEB COc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 4474874 SHZYKLDLYJZBPM-UDWIEESQSA-N 399.428 3.377 30 40 GGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 101231757 CXJFYUOWGJDXTM-WOOAAIBNSA-N 379.412 3.312 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(OC)cc1 102804947 RNZQFEGFCMCVRQ-GHNGSUTGSA-N 385.416 3.055 30 40 GGEB CCCCOc1cccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1 2110689 LIRZZQZGPDARQP-XSFVSMFZSA-N 389.477 3.136 30 40 GGEB COc1ccc2c(CC(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)coc2c1 6156485 NIDAKFGMMRCZMQ-CYBMUJFWSA-N 378.384 3.426 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(=S)n(CN(C)Cc3ccccc3)nc12 6986128 FKVBNFDZFBEQFY-UHFFFAOYSA-N 391.500 3.456 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 20445188 OTMHBDCEIHWQHZ-RGEMVIMISA-N 380.535 3.033 30 40 GGEB CCOC(=O)C1(/C(O)=N/S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 95455061 GLIXWPVNUQVGBA-UHFFFAOYSA-N 380.249 3.372 30 40 GGEB N#CCCSc1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O 95953552 LUJIBTJAJHBGQG-UHFFFAOYSA-N 379.441 3.317 30 40 GGEB O=[N+]([O-])c1ccc(O)c(/N=C/c2ccc(O)c(I)c2)c1 408904061 DBKOPCJMLLFWMW-VIZOYTHASA-N 384.129 3.361 30 40 GGEB C=CC(C)(C)c1[nH]c2cc(CC=C(C)C)ccc2c1/C=C1\NC(=O)C(=O)NC1=O 14612870 UMQMXLLNFXQTIE-PDGQHHTCSA-N 391.471 3.254 30 40 GGEB biogenic,in-vitro COc1ccccc1/C=C/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O 20533399 JOHMRUSBMIUKNW-VIOMMJHYSA-N 393.439 3.405 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 6812935 MUVPQAFQDFJUAU-KRWDZBQOSA-N 385.803 3.311 30 40 GGEB C=CCn1/c(=N/C(=O)COc2ccccc2)sc2cc(C(=O)OC)ccc21 100874243 GDSJSBBLXAAKOZ-MRCUWXFGSA-N 382.441 3.182 30 40 GGEB O=[N+]([O-])c1ccc(OCc2ccc(/C=N/n3c(S)nnc3C(F)F)o2)cc1 2791404 XMOQLUJBXRQRFJ-CNHKJKLMSA-N 395.347 3.467 30 40 GGEB N#CCCN(C(=O)COC(=O)c1ccc(Br)o1)c1ccccc1 3255318 MWXLUTWEKKVCGS-UHFFFAOYSA-N 377.194 3.146 30 40 GGEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-] 5112042 ILTNFXHSADZEMW-CIAFOILYSA-N 396.403 3.157 30 40 GGEB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 6035022 VBTAUGVPFPBTLO-LLVKDONJSA-N 384.852 3.307 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)[C@H](C)Oc1ccc(F)cc1 7233243 OYCCZAZZIHRWFB-JTQLQIEISA-N 392.408 3.028 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1c(F)cccc1Cl 12916639 DNHAMXVDCCFPAX-UHFFFAOYSA-N 395.843 3.202 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cc(Br)ccc1F 18179183 IFCPSTOGZFPWSS-CQSZACIVSA-N 393.216 3.198 30 40 GGEB Cc1cc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1cccnc1)O2 94993337 JHOVDKNRNMUVIR-SKKKSHNUSA-N 380.444 3.321 30 40 GGEB Cc1c(C#N)nn(-c2ccccc2)c1NC(=O)Cc1ccccc1N1CCCC1=O 1523673780 NMXBKKCWGQDQLA-UHFFFAOYSA-N 399.454 3.360 30 40 GGEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(NC(=O)C(C)C)cc23)CC1 36357043 FMUSRWZWTUQGOV-HXUWFJFHSA-N 398.507 3.082 30 40 GGEB C=CCn1c(S[C@@H](C)C(N)=O)nc2scc(-c3cccs3)c2c1=O 3472758 PYAHVVAALAVQPW-VIFPVBQESA-N 377.516 3.338 30 40 GGEB C=CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908781 RXEFEKFVTCJSBE-AQOAWAETSA-N 384.476 3.197 30 40 GGEB N#CC1(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102751078 PGTLFXAZVUYTGB-VVWQDTPRSA-N 377.360 3.104 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2F)/C1=C(\O)c1cccs1 102926157 RPCSRLWMDPZYSS-ZYXMVNNGSA-N 387.432 3.488 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1CN(C)CCOc1ccccc1F 15046213 ADWUIRXYSAMCTA-UHFFFAOYSA-N 377.441 3.029 30 40 GGEB Oc1ccc(/C=N\NC(=S)Nc2ccccc2)cc1I 408966302 ZKOAKZPPBRNCIE-SXGWCWSVSA-N 397.241 3.317 30 40 GGEB N/C(=N/O[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccsc1 84374524 RVTJHVXAPUTWJU-CYBMUJFWSA-N 385.367 3.089 30 40 GGEB CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409359033 MNIBVKUIPAPGBX-GFCCVEGCSA-N 382.376 3.070 30 40 GGEB COc1cc2cc(C#N)c(SCC(=O)NCc3ccco3)nc2cc1OC 35288595 KKWMFIROZZVQQA-UHFFFAOYSA-N 383.429 3.125 30 40 GGEB N#Cc1cccc(OCCn2cnc3c(F)cc(Br)cc3c2=O)c1 79072942 GAALFEUWNHYOSZ-UHFFFAOYSA-N 388.196 3.249 30 40 GGEB N#Cc1cc2c(nc1N1CCC(Cn3nc(C4CC4)ccc3=O)CC1)CCCC2 585506139 UFYDFKUKIZYBLJ-UHFFFAOYSA-N 389.503 3.183 30 40 GGEB O=C1C(Nc2cccc(O)c2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 100815725 XLXLKFIBZURUOT-UHFFFAOYSA-N 382.379 3.497 30 40 GGEB N#Cc1ccc(CCC(=O)NC2CCN(C(=O)c3ccccc3F)CC2)cc1 40106929 UVZXOOQCBCBCCE-UHFFFAOYSA-N 379.435 3.051 30 40 GGEB CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2/N=C1/C(=O)Nc2ccccc21 32073181 SRLCGBVOWDPMID-UHFFFAOYSA-N 386.499 3.153 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)Nc3nnc(-c4ccccc4)s3)CC2)nc1 24148043 WAYHUCDYDZRAQT-UHFFFAOYSA-N 390.472 3.327 30 40 GGEB COc1cc([N+](=O)[O-])cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1O 409202772 SCCROHFRJMLZTO-VEDVKBNCSA-N 379.438 3.398 30 40 GGEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N\N=C\c2cccc([N+](=O)[O-])c2)cc1 36093471 NLGUWFXQBPUYAE-WZVOALPJSA-N 398.444 3.457 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 17857945 RNNBTAGXFKHENJ-LJQANCHMSA-N 390.395 3.462 30 40 GGEB CC(C)c1ccc(N2/C(=N/C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 5321875 VVZYWGFNBGZDDS-HYLQGWQCSA-N 394.562 3.458 30 40 GGEB COc1ccc([C@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 14200955 UMXZHSKIJGXQOE-DYESRHJHSA-N 382.460 3.152 30 40 GGEB CCOC[C@@]1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218166174 BELIIZMYMRWROS-HKBOAZHASA-N 399.468 3.210 30 40 GGEB N#CCc1ccc(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1 224936538 FLJVDRRPTRQQPJ-UHFFFAOYSA-N 399.255 3.339 30 40 GGEB N#C[C@]1(C(=O)O)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514993 FRORVPDHKOKWRN-UXLLHSPISA-N 379.796 3.013 30 40 GGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccco3)NC2=O)cc1Cl 21224325 QGKFYDOWIJSUEW-AWEZNQCLSA-N 377.853 3.358 30 40 GGEB N#Cc1c(CN(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cn2ccccc12 32825255 OSGUJUMIKXJBNM-MRXNPFEDSA-N 385.514 3.062 30 40 GGEB CC(=O)[C@@H]1[C@@H](c2ccc3c(c2)OCO3)C(C#N)(C#N)[C@H]2C=Cc3ccccc3N12 4356850 YUQOHRDOSXTMHZ-YPAWHYETSA-N 383.407 3.406 30 40 GGEB O=C(NCC#Cc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 25071724 CGDBQLWCRLFKFP-UHFFFAOYSA-N 393.446 3.226 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl 4915760 AQLYYMLYSRJENN-IYYOCNSZSA-N 382.243 3.249 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cc1 11574910 NSDOCYBZSVJOQK-UHFFFAOYSA-N 399.516 3.312 30 40 GGEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O 3371110 RMGIMYULAKIRHR-FQEVSTJZSA-N 396.834 3.007 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(F)c21 100877847 FTZFFLQKCGWBBP-XDOYNYLZSA-N 378.384 3.323 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc(OC)cc1 6001707 QJRFSQBBLIAFPI-OAHLLOKOSA-N 383.473 3.455 30 40 GGEB CN(CCC#N)C(=O)CSc1nc2ccccc2c2nc3ccccc3n12 4246528 XQJAJCADVBGKSU-UHFFFAOYSA-N 375.457 3.500 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 6653688 APCZSSHPRPHIFQ-AWEZNQCLSA-N 379.416 3.100 30 40 GGEB C=CCN1CC[C@@]2(CN(Cc3ccc(OC)cc3)C[C@H]2c2nccs2)C1=O 306124666 BWBGTHLYOXKUDW-RXVVDRJESA-N 383.517 3.156 30 40 GGEB Cc1ccc([C@H](NC(=O)CSc2ncc(C#N)c(N)n2)c2cccs2)cc1 17669894 FNDHLXIWMUWPSJ-KRWDZBQOSA-N 395.513 3.298 30 40 GGEB Cc1cc(O)c(CN2CCNCC2)c2c1C(=O)/C(=C/c1cc3ccccc3o1)O2 94993335 KOWBGGWNZDPJMM-NDENLUEZSA-N 390.439 3.468 30 40 GGEB CN(CCN(C)/N=C/c1ccc(N(C)C)cc1)/N=C\c1ccc(N(C)C)cc1 25668117 AXMSBPGDLMGFGN-QFFDILLMSA-N 380.540 3.050 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 32505508 HPALDQHZJLUOCH-NNGLLJABSA-N 394.562 3.341 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 5617742 IPQOLRHQTOOVLH-XDHOZWIPSA-N 385.401 3.476 30 40 GGEB O=C1C[C@@H](C(=O)Nc2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100129410 BMAOIVYHTJEGMJ-RHSMWYFYSA-N 378.403 3.301 30 40 GGEB N#Cc1ccc(CSCC(=O)NCc2ccc(Cn3cccn3)cc2)cc1 48064590 QUEBUMVLGGZUHX-UHFFFAOYSA-N 376.485 3.353 30 40 GGEB CCc1ccccc1NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N 4945453 GFEPUOSLPSSNAC-UHFFFAOYSA-N 385.470 3.460 30 40 GGEB N#Cc1nc(/C=C/c2cccs2)oc1N1CCN(C(=O)c2ccco2)CC1 12418826 JGIJVBLNONYJRS-AATRIKPKSA-N 380.429 3.334 30 40 GGEB CCOc1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408534507 MFYQGBZFTXLIAR-INIZCTEOSA-N 385.807 3.340 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506704 PQZCNCJPKDCYAK-SVQNHAPJSA-N 380.535 3.033 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2Cc3ccccc3C2)n1 225924292 QCVWEEVIFNBQKQ-UHFFFAOYSA-N 394.548 3.460 30 40 GGEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(COc3ccccc3)n2)o1 223682016 XCOAINMVIMAFPH-UHFFFAOYSA-N 396.428 3.181 30 40 GGEB N#Cc1ccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 3344233 XFUBQAAZBMZYNF-FQEVSTJZSA-N 386.407 3.462 30 40 GGEB Cc1ccc2nc(NCc3cccnc3)c(/C=N/Cc3cccnc3)c(=O)n2c1 1084345 SNFRWXJDZUMEMV-AFUMVMLFSA-N 384.443 3.024 30 40 GGEB COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2ccccn2)cc1OC 4459112 LSMBHJYJZQDTPG-UHFFFAOYSA-N 377.404 3.128 30 40 GGEB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)c(OC)c1 8072069 DLWCAJPZIQWOPG-UHFFFAOYSA-N 387.486 3.252 30 40 GGEB C=CCn1c(N)c(S(=O)(=O)c2ccc(OC)cc2)c2nc3ccccc3nc21 2400590 SHUITDBWBFHMAG-UHFFFAOYSA-N 394.456 3.194 30 40 GGEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CC(=O)N(Cc2ccco2)C1 12546031 OWAQFTSAANZODU-SFHVURJKSA-N 385.423 3.062 30 40 GGEB Cc1nc(SCC(=O)N(C)C[C@H]2COc3ccccc3O2)c(C#N)c(C)c1C 12533579 QLUSJMRLRMJWJC-INIZCTEOSA-N 397.500 3.269 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 12526812 OKQASZIYUBMMKR-AWEZNQCLSA-N 385.851 3.454 30 40 GGEB COc1ccc(NC(=O)COc2nc(C)c3c(c2C#N)CC(C)(C)OC3)cc1 13693036 KSULXIWFQRSMSI-UHFFFAOYSA-N 381.432 3.139 30 40 GGEB COc1cc(CCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc(OC)c1 7272015 YJDCNTJYGFYNEY-AWEZNQCLSA-N 382.416 3.078 30 40 GGEB CSc1ncc(Cl)c(C(=O)[C@H](C#N)c2nc3c(C)cc(C)cc3c(=O)[nH]2)n1 8617383 KJZOLVWHUCVZNE-NSHDSACASA-N 399.863 3.195 30 40 GGEB Cc1nn(CC(F)(F)F)c(C)c1[C@@H]1COCCN1C(=O)c1sccc1C#N 96002558 VOGQTFUIUUYVTR-ZDUSSCGKSA-N 398.410 3.209 30 40 GGEB COc1cc(/C=C/C(=O)ON2C(=O)CCC2=O)ccc1OCc1ccccc1C 97940162 ZANQJQSPIHEPJM-XYOKQWHBSA-N 395.411 3.203 30 40 GGEB C=CCOc1c(Br)cc(CN[C@@H](C)C(=O)NCCC)cc1OCC 14157529 FVSYUHCYOCECDO-ZDUSSCGKSA-N 399.329 3.417 30 40 GGEB CCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 53368328 PRMBGFSQBQSFDA-UHFFFAOYSA-N 381.480 3.019 30 40 GGEB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)N(O)C(=O)C[C@@H]4[C@@H]3CC[C@@H]2C1 8616316 LSLMBSPEDYWCBK-GODYTDEESA-N 377.481 3.315 30 40 GGEB COc1ccc(CNC(=O)CCNc2oc(-c3ccccc3)nc2C#N)cc1 32622258 FTINUIKGDGFWMZ-UHFFFAOYSA-N 376.416 3.340 30 40 GGEB N#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59135919 UNEBPEOFYBQIRQ-SDNWHVSQSA-N 381.388 3.400 30 40 GGEB CCc1nc2sc3c(c2c(=O)n1/N=C/c1cc([N+](=O)[O-])ccc1O)CCCC3 36073828 VXRCXNHHKWKURW-KEBDBYFISA-N 398.444 3.395 30 40 GGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@@H]12 12661489 PAXXEMKFBLFNJK-WVXKDWSHSA-N 375.509 3.140 30 40 GGEB biogenic C#CCOc1ccc(/C=N\OCC(=O)Nc2ccccc2)cc1Br 409370363 PPXOCGAPMIPXBE-NDENLUEZSA-N 387.233 3.450 30 40 GGEB CC(C)C[C@H](C(=O)OCc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 6602186 YNUPPOZKUHMXPM-LJQANCHMSA-N 376.412 3.312 30 40 GGEB C[C@H](Sc1ncc(C#N)c(N)n1)C(=O)N(c1nccs1)C1CCCCC1 8728156 TZJJGQBHKWXXBZ-NSHDSACASA-N 388.522 3.233 30 40 GGEB CCOc1ccc2nc(N=C3NCN([C@@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1 19325317 YOFZYRBTBVRWFU-IFXJQAMLSA-N 382.512 3.313 30 40 GGEB N#Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 95998723 RKLBTUDVFALLGD-SFHVURJKSA-N 391.475 3.430 30 40 GGEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OCC 408727273 DVGUHISNIYDLAM-YLSPEYHVSA-N 380.444 3.015 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220136467 PKWYKIMYWWYVIS-MRXNPFEDSA-N 388.489 3.353 30 40 GGEB N#C[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252513938 AYESGKZOPWKLQS-ZACQAIPSSA-N 382.268 3.435 30 40 GGEB CC1(C)OB(c2cc3ccccc3n2S(=O)(=O)c2ccccc2)OC1(C)C 685937405 TYDBZRPUBRHWMQ-UHFFFAOYSA-N 383.278 3.178 30 40 GGEB N#Cc1cccc(S(=O)(=O)NCc2ccc(COCC(F)(F)F)cc2)c1 14099687 FGIFXLKQVGGJGO-UHFFFAOYSA-N 384.379 3.116 30 40 GGEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5018480 PZWBSSICWQQYSR-WQZJSGDVSA-N 391.383 3.386 30 40 GGEB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)c1nc(C#N)c(C#N)nc12 4744732 ALMKITXPGWQNIY-LEWJYISDSA-N 393.397 3.466 30 40 GGEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F)C1CCCCC1 5321915 QIWYPYBVRVDVPS-YUMLTWSLSA-N 396.509 3.007 30 40 GGEB N#Cc1c(N)nc(SCC(=O)Nc2cccnc2Cl)c(C#N)c1C1CC1 13577366 OYARCEGYIMYFCV-UHFFFAOYSA-N 384.852 3.064 30 40 GGEB C=CCn1c(SCC(=O)N2C[C@@H](C)O[C@H](C)C2)nnc1C1CCCCC1 7987453 WFDMXWDXJRCHCX-HUUCEWRRSA-N 378.542 3.240 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2\C=CC(=O)c3ccccc32)cc1 103440498 UYNHCFVQTNYLGP-ZBJSNUHESA-N 383.473 3.286 30 40 GGEB N#Cc1c(-c2ccc3c(c2)OCO3)cc2n(c1=N)CCc1cc3c(cc1-2)OCO3 100779162 FIZKHAPKKNXNJM-UHFFFAOYSA-N 385.379 3.187 30 40 GGEB biogenic COc1cccc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1O 3455429 YPWJEOSDHMHQSC-UFFVCSGVSA-N 391.339 3.092 30 40 GGEB COc1ccccc1NC(=S)N/N=C(\C)c1ccc(N2CCOCC2)cc1 5119878 JLXRGSMKRJDFDD-PXLXIMEGSA-N 384.505 3.242 30 40 GGEB C=CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)c1 4541125 NZSPAADARWERIF-GOSISDBHSA-N 383.400 3.069 30 40 GGEB C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 6503237 DHIJBORMEBPAQL-LLVKDONJSA-N 391.802 3.461 30 40 GGEB C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2CCSc3c(F)cccc32)c1 72272824 QCEVUUIBWHOYCZ-KRWDZBQOSA-N 383.448 3.282 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 409179522 RFDKVUKKNLPMQQ-ABGKTIALSA-N 384.435 3.383 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc(C#N)c3)C2)c1 225920205 GBVJFDKJLIFUIL-GOSISDBHSA-N 397.500 3.215 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224772219 YJQFKBVZZOMLPW-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB CCO[C@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(CC(F)(F)F)C1=NCCN1 97949679 GJAJOZGKSUZEQO-IONNQARKSA-N 394.209 3.480 30 40 GGEB CCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1[C@@H](CC)N(C)C 2664374 YBBDFCGLBSZGTH-BEFAXECRSA-N 394.589 3.237 30 40 GGEB COc1cc([C@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)ccc1O 20328999 BAYWPRTYMKWPHJ-SNVBAGLBSA-N 380.429 3.247 30 40 GGEB N#CCCn1cc(/C=C/C(=O)N2CCN(Cc3ccncc3)CC2)c2ccccc21 23846339 BXUPWEMNVKADSN-VOTSOKGWSA-N 399.498 3.308 30 40 GGEB CCO/C=N/n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)cnc21 2254226 QYHLEMWVVOIJCJ-WSDLNYQXSA-N 376.420 3.237 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)o1 107592404 YODAFPJFGVTCMW-LICLKQGHSA-N 387.351 3.073 30 40 GGEB CCOc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2C#N)cc1 5034131 ASABTUGYFDJQGE-CYBMUJFWSA-N 394.460 3.052 30 40 GGEB COc1cc(/C=N/N=C2/NC(=O)[C@@H](Cc3ccc(C)c(C)c3)S2)ccc1O 6503718 QIBMAWWDTVAYOD-PGNNWUFWSA-N 383.473 3.182 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccc(F)cc2)cc1 16737185 UXQSHBHFMYDTQM-IBGZPJMESA-N 399.418 3.185 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)cc1 20028992 WXSWVWBOGLUHQR-IRWQIABSSA-N 397.471 3.171 30 40 GGEB CC1=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccc2N1CC(C)C 225867360 WNEWSSMWBUSSNX-UHFFFAOYSA-N 396.472 3.394 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2ccccc2F)N2NN=NC2=N1 3634076 VZKYKALXCZAYHL-KRWDZBQOSA-N 393.378 3.042 30 40 GGEB Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 101535143 NJGKZCFJDLGKAL-JJFYIABZSA-N 397.456 3.221 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2c(C#N)cnn2-c2ccccc2)n1 1036094 AMXBMZCXOGIOMV-UHFFFAOYSA-N 388.456 3.358 30 40 GGEB C=CCn1cc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c2ccccc21 57430710 JQFZVFMQUKJKTI-GOSISDBHSA-N 380.469 3.476 30 40 GGEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(Cl)cc3)c2)c1 3250978 TUJIUAQQIUIIFT-UHFFFAOYSA-N 380.787 3.308 30 40 GGEB C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc1 409089661 ONHVUDJHEMLWIK-CPNJWEJPSA-N 391.427 3.091 30 40 GGEB N#CCCNC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 5245014 WPWWQZUEHNCWTC-UHFFFAOYSA-N 396.516 3.409 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)OCC(=O)c3cc4ccccc4o3)cc2C1=O 5569855 KJZRXDVXPRMZHB-UHFFFAOYSA-N 389.363 3.255 30 40 GGEB Cc1sc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c(C#N)c1C 5959700 OTUUJBGCJYHAMQ-UHFFFAOYSA-N 396.472 3.078 30 40 GGEB CNC(=S)N/N=C/c1cn(CCOc2cccc(OC)c2)c2ccccc12 8691686 LSPRQFNSTORLOD-LPYMAVHISA-N 382.489 3.157 30 40 GGEB C#Cc1cccc(NC(=O)N[C@H]2CCN(c3ccccc3OC(F)F)C2=O)c1 72286659 KXPFBBCQMOTGQS-HNNXBMFYSA-N 385.370 3.196 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C2/CCSc3ccc(F)cc32)cc1[N+](=O)[O-] 33042682 XRGBPVQBYKOEEN-JXAWBTAJSA-N 395.437 3.221 30 40 GGEB N#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)CC1 96119261 WJOKWWASCCTDKS-UHFFFAOYSA-N 391.406 3.166 30 40 GGEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 14608160 AHGMVWBFMMRGOO-XIKOKIGWSA-N 377.360 3.195 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2O)[C@@H]1c1ccccc1 20310644 PTBSJPVUSCQWSK-FQEVSTJZSA-N 394.471 3.312 30 40 GGEB COc1cc(C2CC(=O)C(=C3Nc4ccccc4N3)C(=O)C2)cc(OC)c1OC 9287744 WETUUZMVIVYXNT-UHFFFAOYSA-N 394.427 3.477 30 40 GGEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccccc2)s1 102802852 QHNZWSSIOWWGPH-UYTDBDHRSA-N 377.425 3.473 30 40 GGEB C[C@@H](NC(=O)CN1CCCN(c2ccccc2C#N)CC1)[C@@H]1C[C@H]2CC[C@H]1C2 106525930 RMMZFGISUYLFAC-JKBKZWBZSA-N 380.536 3.011 30 40 GGEB Cc1c(NC(=S)N/N=C/c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 1469680 WDRWCEPYLXLKKU-CIAFOILYSA-N 399.907 3.458 30 40 GGEB CCOC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)NC2CCCCC2)nc1C 8394685 ZCBZZBIAUIXCLJ-ZDUSSCGKSA-N 375.494 3.368 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 3355852 XAWBRMWRSWKFDB-UHFFFAOYSA-N 379.397 3.428 30 40 GGEB COc1ccc2c(c1)c(/C=C1/Oc3cc(OS(C)(=O)=O)ccc3C1=O)cn2C 8991912 MQEXNUUZIFFIIT-UFWORHAWSA-N 399.424 3.142 30 40 GGEB CCNC(=S)N/N=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)c(OC)c1 409372622 MVQQLLQBUSMXBS-RGVLZGJSSA-N 388.449 3.000 30 40 GGEB C=C(C)Cn1nc(C)c(CN2CCc3nc(-c4ccncc4)nc(O)c3C2)c1C 12121913 AMZNDAOJSZDJIK-UHFFFAOYSA-N 390.491 3.192 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 13684009 XFUKTWVPEWUKPM-LJQANCHMSA-N 393.443 3.291 30 40 GGEB NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1Cc1ccc2c(c1)OCO2 13719404 DOTWDQXCWBFGOO-UHFFFAOYSA-N 391.452 3.251 30 40 GGEB CC(=O)O[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C 118927854 JPBGWEMFLWGZNK-NHJPHUNCSA-N 390.520 3.029 30 40 GGEB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1 12417105 PSJKNWPBTNWWON-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB C=CCN(CC(=O)Nc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 8776416 IXWKKTKMJQYKKF-UHFFFAOYSA-N 394.880 3.164 30 40 GGEB COc1ccc(C/C(N)=N/OC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 4723508 ODRXJXUQMVJVPJ-UHFFFAOYSA-N 376.840 3.402 30 40 GGEB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/c1ccc(N2CCOCC2)o1 409067148 NZDFSCDTBNYXGN-KEBDBYFISA-N 384.314 3.489 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl 32639268 ASGHMMKAUAVWKZ-OXLCNLPBSA-N 393.317 3.005 30 40 GGEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503430 APFARXWWTBHVKD-SMXHQDLGSA-N 380.535 3.212 30 40 GGEB C=CCSc1ncc(S(=O)(=O)c2ccccc2)c(=O)n1-c1ccccc1 80346046 CPOHRUWNCGSNSP-UHFFFAOYSA-N 384.482 3.343 30 40 GGEB Cc1ccc2c(Nc3ccc(F)c(C#N)c3)c(C(=O)N3CCOCC3)cnc2n1 49004871 ZSINKODYGRSURL-UHFFFAOYSA-N 391.406 3.165 30 40 GGEB COCc1cc(C)n(CC(=O)Nc2cccc(Cl)c2Cl)c(=O)c1C#N 810876 GFBNGBJLCQVFBO-UHFFFAOYSA-N 380.231 3.120 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccc([N+](=O)[O-])c2)no1 102802857 UBDAVIPVRZIDDQ-IBOXJLQUSA-N 395.327 3.111 30 40 GGEB O=C1ON=C(c2ccccc2Br)/C1=C/c1cccc([N+](=O)[O-])c1O 101662391 ICIXPUZIZUSIAU-FLIBITNWSA-N 389.161 3.407 30 40 GGEB CC(=O)c1ccc(SC/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2)c(F)c1 48497526 WFOYBVLNTXTWNO-UHFFFAOYSA-N 392.433 3.337 30 40 GGEB Cc1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1[N+](=O)[O-] 409346597 PAJCKTSRVLCUMZ-UHFFFAOYSA-N 390.355 3.461 30 40 GGEB C#CCNC(=O)Cn1c2ccccc2[n+]2nc3c(cc12)-c1cccc2cccc-3c12 4661736 PNLDDGSMZWLLOM-UHFFFAOYSA-O 389.438 3.325 30 40 GGEB COc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)cc1 83309702 KUDGLNNBGFRKFY-SGRLSNSRSA-N 399.472 3.294 30 40 GGEB Cc1cc2nnc(SCCC(=O)Nc3ccc(C#N)c(Cl)c3)n2c(C)n1 72013921 QZUQUFZIFMJISJ-UHFFFAOYSA-N 386.868 3.387 30 40 GGEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1O[C@@H](C)C(=O)O 409020181 MMONKLOHVWDWDH-WXUSHSQQSA-N 384.432 3.134 30 40 GGEB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc(C#N)cc2)C1=O 409325236 YDJRNQMALXWTAB-LICLKQGHSA-N 393.424 3.242 30 40 GGEB COc1c(/C=C/C(=O)c2ccccc2)c(CCN(C)C(C)=O)cc2c1OCO2 4046775 DOVOGHZYYMDCMB-MDZDMXLPSA-N 381.428 3.341 30 40 GGEB biogenic C#C[C@](C)(CC)OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12421439 JQDDMPJAZVZFEI-RBUKOAKNSA-N 384.442 3.007 30 40 GGEB O=C(C[C@H]1S/C(=N/c2cccc(O)c2)NC1=O)Nc1ccc(Cl)cc1 16712587 RLJSJTNXRFDXBJ-CQSZACIVSA-N 375.837 3.294 30 40 GGEB CC/N=C1/S/C(=C\c2ccc(I)o2)C(=O)N1CC 100201307 SVUFEZWXVZLMOV-LTPFSSFFSA-N 376.219 3.196 30 40 GGEB C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 6904927 QRUWFUMVQIDIQE-NSHDSACASA-N 391.802 3.461 30 40 GGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)C(=O)O1 102500226 ZOHDDIWRQCZMEO-CSHXORCISA-N 398.846 3.430 30 40 GGEB COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)c1OC 102682773 VQALKOBEXPPZEM-XCBAANBCSA-N 392.415 3.213 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)o1 100302107 NDWSIEKUAPQMGA-WLNQXBNISA-N 383.407 3.205 30 40 GGEB Cc1nc(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C 24514179 KIVHEYGUGXUMIF-JTDSTZFVSA-N 378.542 3.214 30 40 GGEB C[C@@H](O/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 25589459 GZDXILRGEYDXKT-PRMNVEQPSA-N 380.231 3.470 30 40 GGEB Cc1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c(C#N)c(C)c1C 12608472 UKZPRTKVOAGHBG-UHFFFAOYSA-N 396.516 3.446 30 40 GGEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3[C@@H]4O[C@@H]4C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 65739867 XFELGPWPVWOTLJ-IWMHJGDMSA-N 398.499 3.252 30 40 GGEB in-vitro C#CCOc1c(Cl)cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 12772404 GBMQNZSUKSXXDL-QPJJXVBHSA-N 382.803 3.426 30 40 GGEB C=CCNC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 3457627 CANKMWFGKSSRTM-UHFFFAOYSA-N 379.338 3.303 30 40 GGEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 69284308 ZLTZJYRVUSXMTA-YUMQZZPRSA-N 388.294 3.284 30 40 GGEB O=C(CNC(=O)c1ccc2c(c1)OCO2)Nc1cccc(C#Cc2ccccc2)c1 12748997 BLXSNKMYHBYXHR-UHFFFAOYSA-N 398.418 3.184 30 40 GGEB COc1cccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 100418333 FQPKTZWQTAJCCH-QAPCUYQASA-N 390.439 3.171 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 22085958 AVKPYTNXBRHHAW-UHFFFAOYSA-N 388.345 3.132 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(OC)c(OC)cc21 101035722 ILDUKOYTXGBTKU-VXPUYCOJSA-N 397.412 3.003 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccco1 5564209 MZRMPLCVGLVBQI-SELCWUDQSA-N 386.423 3.182 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1C[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 84502109 QOZDVFJQTOPAJW-KBPBESRZSA-N 377.393 3.046 30 40 GGEB COc1ccc(/C=N/n2c(C)nc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-] 408719212 NBGVWNHSEBCNKX-KEBDBYFISA-N 398.444 3.444 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1 32093054 DSQCHWIUNKLEIT-FQEVSTJZSA-N 380.444 3.325 30 40 GGEB Cc1cccc(NC(=O)CNC(=O)CSc2nc(C)c(C)c(C)c2C#N)c1C 5701247 IVJGBXBNMLHBGQ-UHFFFAOYSA-N 396.516 3.342 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205896 CHXDJKBOMLWTBC-SPLOXXLWSA-N 388.427 3.408 30 40 GGEB O=C1c2ccccc2C(=O)N1/N=C/c1cc(Br)c(N2CCCC2)o1 59249712 AWZXOLVDPXYAAR-VXLYETTFSA-N 388.221 3.272 30 40 GGEB CN(C)c1ccc([C@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 103450613 CZWALWSGPQPRHA-SGLNWRHMSA-N 375.432 3.261 30 40 GGEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccccc1C)C1=C(N2)c2ccccc2C1=O 3646430 MOPAFBTUYVNJDQ-MRXNPFEDSA-N 385.423 3.030 30 40 GGEB O=C(C[C@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 5023762 CIRMKUGXTNXPQD-PZUDMAOCSA-N 386.864 3.290 30 40 GGEB COc1cccc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c1OCC#N 5173462 ARQIHKINEADDFI-GDNBJRDFSA-N 397.818 3.021 30 40 GGEB CCNC(=O)N1CCc2ccc(NC(=O)[C@@H](C)Oc3cccc(C#N)c3)cc21 72296699 LWAKTZOVVZYFKB-CQSZACIVSA-N 378.432 3.056 30 40 GGEB CC(C)[C@@H](C#N)N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 65553522 SAZUMOZLQNAHNZ-OAHLLOKOSA-N 384.705 3.408 30 40 GGEB Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)CC#N)cc3)C[C@H]2C)c1 6509735 VFDSHLJKMKMHPF-QGZVFWFLSA-N 376.460 3.198 30 40 GGEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1)c1ccc(F)cc1 6813930 WUIXZVHNGYOAEE-QGZVFWFLSA-N 375.359 3.399 30 40 GGEB N#Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)c1 7758384 VCGROTIASHYPPW-UHFFFAOYSA-N 399.406 3.469 30 40 GGEB CCN(CC)c1ccc(/C=N/Nc2nnc(Cc3ccccc3)c(O)n2)cc1 8973944 FYCVSVPFAQQXTH-PXLXIMEGSA-N 376.464 3.460 30 40 GGEB Cc1nnc2n1C[C@@H](C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CC2 95432758 BEWIBPMUDSFLFC-INIZCTEOSA-N 377.473 3.066 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCC)c(OCC)c2)C1=O 409131949 ZFWJJYRZUNLBKL-UKTHLTGXSA-N 395.253 3.325 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224599460 JXFUTWJXWYEVHA-UHFFFAOYSA-N 392.433 3.383 30 40 GGEB Cc1cn2ccc(NC(=O)NC3(c4ccc(C#N)cc4)CCOCC3)cc2n1 599804178 QJAVBFFIAPTCIC-UHFFFAOYSA-N 375.432 3.342 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cccc(F)c21 101041727 BRMIZJYKDDABID-ZZEZOPTASA-N 390.461 3.173 30 40 GGEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 12662977 XCNKFVUHKMKCKT-ODLFYWEKSA-N 396.395 3.428 30 40 GGEB biogenic COc1ccc(N2C[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)cc1OC 12913799 JOMJEGGXDMVPRY-CYBMUJFWSA-N 399.472 3.245 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)CN1C(=O)c2cccc3cccc1c23 3644840 MTLJAIKYZSGPKQ-UHFFFAOYSA-N 385.423 3.355 30 40 GGEB COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 5727748 MBZNYRATEUMHTI-PDXNLLJWSA-N 390.480 3.378 30 40 GGEB biogenic COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 6813179 DBOZTTTXMSNQHM-LJQANCHMSA-N 381.428 3.228 30 40 GGEB CCn1cc(C#N)c(=O)n(Cc2cnc(-c3ccc(C(C)C)cc3)s2)c1=O 71918126 KEMOATFTETZPDV-UHFFFAOYSA-N 380.473 3.197 30 40 GGEB N#Cc1ccccc1COc1cccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1 409403301 HYQQNFSBKHDZJH-KLDKWKSESA-N 397.434 3.278 30 40 GGEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc([N+](=O)[O-])c1O 36127407 ZUTWWLXIOULYOR-RIYZIHGNSA-N 389.364 3.340 30 40 GGEB Cc1noc(CN(C)C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)n1 594416182 CMXCYJRWYOEAPD-UHFFFAOYSA-N 387.871 3.168 30 40 GGEB O=[N+]([O-])c1cccc(/C=N/Nc2nc3nonc3nc2Nc2ccc(F)cc2)c1 13550060 XJDXETJBFCTLNR-DJKKODMXSA-N 394.326 3.250 30 40 GGEB COc1ccc2c(c1)OC[C@H](/C(O)=N/S(=O)(=O)c1ccc(Cl)s1)C2 50204643 KXPZVWXOQNVIFJ-SNVBAGLBSA-N 387.866 3.307 30 40 GGEB C=CCn1c2nc3ccccc3nc2c2c(=O)n(CCCOCC)c(C)nc21 2424210 CDMJKNJWFIWZMN-UHFFFAOYSA-N 377.448 3.215 30 40 GGEB CC(C)[C@H](C)CS(=O)(=O)OCCCCOS(=O)(=O)C[C@H](C)C(C)C 100229864 BSIWORPCWLQVBJ-IYBDPMFKSA-N 386.576 3.044 30 40 GGEB COc1ccc(/C=N/N=C2\S[C@@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1 59475393 UCFFHQHCPQAVLD-ZVEOTGLXSA-N 397.456 3.317 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 102800368 YSNWPSPDYVRJGI-GHNGSUTGSA-N 396.399 3.053 30 40 GGEB C=CCc1cc(/C=N/c2cc([N+](=O)[O-])ccc2O)cc(OC)c1OCC(=O)O 59247996 OXQOVTJRBAHEIU-KEBDBYFISA-N 386.360 3.252 30 40 GGEB Cc1c(N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc(C#N)cc1[N+](=O)[O-] 42109758 GRPGPKDSKGGULW-UHFFFAOYSA-N 377.404 3.259 30 40 GGEB N#Cc1ccc(/C=C/C(=O)N2CCN(CCOc3ccc(Cl)cc3)CC2)cc1 23717499 UICLIXROMNUMEA-BJMVGYQFSA-N 395.890 3.448 30 40 GGEB CC(C)(C)OC(=O)N1CCCN(c2nc(-c3cccnc3)ccc2C#N)CC1 22115492 YASNLGJVHQCWTA-UHFFFAOYSA-N 379.464 3.462 30 40 GGEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 13723437 OZOKXRILODZWOP-FQEVSTJZSA-N 389.455 3.308 30 40 GGEB COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)cc1 4897907 KUDGLNNBGFRKFY-QBEKEKFNSA-N 399.472 3.294 30 40 GGEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)Cc1ccccn1)C2 585106884 KKBHSNFPVUJQPP-XMMPIXPASA-N 399.498 3.334 30 40 GGEB CCSc1nnc(NC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)s1 3592214 BOJPKYZKTVVANC-FNORWQNLSA-N 376.463 3.213 30 40 GGEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 1775969744 JGJNKSTXCMQALW-SFHVURJKSA-N 387.443 3.070 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1)C(C(=O)OCC)=C(C)N2 8346024 UTRWWAITLXAMMY-OAHLLOKOSA-N 383.473 3.443 30 40 GGEB Cc1cc(C)c2nc(NC(=O)COC(=O)COc3ccc(C#N)cc3)sc2c1 3296406 STZHGVTUTJNLGO-UHFFFAOYSA-N 395.440 3.346 30 40 GGEB CCOC(=O)c1cs/c(=N\N=C(/CC(=O)c2ccc(OC)cc2)C(F)F)[nH]1 33435768 BAYMILRJIISCIN-CIAFOILYSA-N 397.403 3.056 30 40 GGEB N#Cc1cccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)c1 13006497 NTXSUOIJGWXIMU-MRXNPFEDSA-N 389.333 3.243 30 40 GGEB O=c1c(/C=N/Cc2ccco2)c(C(F)(F)F)[nH]n1-c1ccc([N+](=O)[O-])cc1 2490590 ZSNRFTKISJESAM-AWQFTUOYSA-N 380.282 3.305 30 40 GGEB N#Cc1c(CN(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cn2ccccc12 32825257 OSGUJUMIKXJBNM-INIZCTEOSA-N 385.514 3.062 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 102873820 GOBFVPMAXGXTLT-SELCWUDQSA-N 399.878 3.108 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2cccc(O)c2)no1 102803787 GXVJJYITPLSJPO-SELCWUDQSA-N 394.358 3.454 30 40 GGEB COc1ccc(Br)cc1CN(C)C(=O)COc1ccccc1C#N 3334395 GRUBZFKPMVQIGV-UHFFFAOYSA-N 389.249 3.367 30 40 GGEB N#Cc1ccc(OCCOC(=O)CCc2nc(-c3ccc(F)cc3)no2)cc1 10615194 DIAPVQLSCIRAFM-UHFFFAOYSA-N 381.363 3.302 30 40 GGEB C=CCn1c(S[C@@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 3420452 DPZCZCUYKDMAPF-CYBMUJFWSA-N 393.900 3.096 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccncc2)c1 13119694 QSCBOCKJRCDPMH-LJQANCHMSA-N 390.395 3.462 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccnc2)no1 6275834 CVQMYJRAXCYVCX-QGZVFWFLSA-N 379.347 3.300 30 40 GGEB CCOC(=O)COc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC 408930963 FJVOQTCONIXLRS-HZHRSRAPSA-N 398.459 3.224 30 40 GGEB C=CCN1CCC(NC(=O)[C@H](C)Oc2nn(-c3ccccc3)cc2Cl)CC1 227153004 BLNJXRBYFBVNGN-HNNXBMFYSA-N 388.899 3.060 30 40 GGEB COc1cccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5324902 RSKDRTRGLQSHKV-QKKBWIMNSA-N 388.427 3.408 30 40 GGEB CCC(CC)COC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2386112 JGIGZTAAWPLQIT-INIZCTEOSA-N 382.464 3.053 30 40 GGEB C#CCn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(F)c3)C2=O)c2ccccc21 2403506 QEJXIKADAHTSFS-WOJGMQOQSA-N 387.370 3.284 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)NCc2ccc(Cl)cc2)s1 32891693 OKAZHBBVKGYBFN-UHFFFAOYSA-N 386.886 3.182 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccco2)/C1=C(\O)c1cccs1 104217557 PBXVSAUVORPGEX-UYTDBDHRSA-N 383.429 3.050 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 12552059 NLWZFUBIZJABBX-UHFFFAOYSA-N 399.516 3.394 30 40 GGEB COc1cccc(C(=O)O/N=C2\C[C@H](NC(=O)C(F)(F)F)c3ccsc32)c1 1390622 AKWPZSQPRJNJRY-GLXUHCQUSA-N 398.362 3.441 30 40 GGEB N#Cc1ccnc(N2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)c1 48234708 KDZJMALXSLHHML-UHFFFAOYSA-N 381.486 3.101 30 40 GGEB Cc1cccc(N2CCN(CC[C@H](C)NCc3cc(C#N)n(C)c3C)CC2)c1 48363591 ZIXXXBIGYDYCJP-IBGZPJMESA-N 379.552 3.204 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3nc4c(s3)CCCCC4)cc2C1=O 12827832 PKFBKUBSRGUFFL-UHFFFAOYSA-N 381.457 3.446 30 40 GGEB C#CCCN1CCN([C@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 84667760 RCEFOSBCDQSRME-CQSZACIVSA-N 378.398 3.457 30 40 GGEB N#CCCN(Cc1cccnc1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 78714536 JNLZYQNWFCITCD-UHFFFAOYSA-N 396.450 3.492 30 40 GGEB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ccc(N)cc2C#N)CC1 70462178 NEONAMQDGPUGOM-UHFFFAOYSA-N 398.894 3.300 30 40 GGEB O=c1c(/C=N/c2cc(O)[nH]c(=S)n2)coc2cc(Br)ccc12 97466282 HCGLQICZONMQEH-FZSIALSZSA-N 378.207 3.464 30 40 GGEB C=CCc1cc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)ccc1OC 14397469 FWZMIVMPQQSATP-UHFFFAOYSA-N 385.416 3.480 30 40 GGEB C=CCNC(=O)NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 5887656 WRFXFCCKNXNFDG-UHFFFAOYSA-N 387.244 3.377 30 40 GGEB N#Cc1cccnc1OC1CCN(C(=O)c2cc(-c3cccs3)n[nH]2)CC1 96119262 APYAOYAEDIEELF-UHFFFAOYSA-N 379.445 3.088 30 40 GGEB C[C@]12Cc3c([nH]c(=O)c(C#N)c3C#N)C[C@@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 105368896 RONRYQJFHZPPMI-NJBNVPORSA-N 391.515 3.437 30 40 GGEB C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2csc(-c3ccco3)n2)C1=O 58224058 CQMQFFOOBWXSFL-IBGZPJMESA-N 378.413 3.242 30 40 GGEB COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 12661907 LKIBGRZTZMJKEF-NHRUYKIRSA-N 399.531 3.354 30 40 GGEB biogenic Cc1cc(N2CCOCC2)ccc1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409071391 RBOLMKYMPNKCJY-XDHOZWIPSA-N 385.380 3.094 30 40 GGEB N#Cc1ccccc1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8310304 MRWWLQUHKSXOSR-LJQANCHMSA-N 377.444 3.495 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc(OC)c1 6160478 HKGFIQFDOYENMA-LJQANCHMSA-N 399.418 3.449 30 40 GGEB CCc1nnc(S)n1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 408863616 NXQODEHUSRGDEL-YBFXNURJSA-N 383.433 3.499 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1CSc1ccc2c(c1)OCCO2 6849415 PAULDSBCPUKGLJ-UHFFFAOYSA-N 376.459 3.442 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccccc1 6812703 YOGJSJCRYYHUKQ-NHFXJNLRSA-N 390.439 3.416 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC#N 409286179 ZBVWXKXUVKPZKO-UHFFFAOYSA-N 397.232 3.252 30 40 GGEB CCOc1ccccc1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 32827934 KDSQFNIAQHYMIJ-UHFFFAOYSA-N 389.459 3.087 30 40 GGEB CCOC[C@]1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218166248 BELIIZMYMRWROS-QHAWAJNXSA-N 399.468 3.210 30 40 GGEB O=C(O)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 100444319 IJFMSRUHBWFAIC-CIAFOILYSA-N 381.413 3.331 30 40 GGEB C(=N/n1c(-c2ccc3c(c2)OCCO3)cs/c1=N\C1CC1)\c1ccccn1 20984856 UQPHSOCBTBMGIB-MPAXWDSHSA-N 378.457 3.328 30 40 GGEB C=CCc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)cc(OC)c1O 1006078 DKDXQXKVGKCOMC-OQLLNIDSSA-N 391.445 3.117 30 40 GGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 4164519 UBRMUYNKKSAFIT-LJQANCHMSA-N 386.245 3.442 30 40 GGEB Cc1cc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)c(C)n1-c1ccc(F)cc1 7706458 XKWPMARBXOKGPQ-OAQYLSRUSA-N 385.439 3.445 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 32506156 YTBRRPASBNGMLU-NNGLLJABSA-N 394.562 3.341 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1C 33936397 WPPMTBIZQLKTPS-XVGQJIODSA-N 397.471 3.171 30 40 GGEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(CC)cccc1CC 32508035 FUKUZZQDQMNHOR-KZLHXAFESA-N 394.562 3.213 30 40 GGEB C#CCOc1ccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 12344194 FKQYYVFAKOTRKN-UHFFFAOYSA-N 380.463 3.465 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N\Nc2ncc(F)c(N3CCOCC3)n2)o1 4544236 SDJUEUBWAOUBRW-MSXFZWOLSA-N 392.394 3.030 30 40 GGEB CC1(C)[C@]2(C(=O)O/N=C(\C#N)c3nc4ccccc4s3)CC[C@@]1(C)C(=O)O2 5500155 BUHOCYHSLMMFBK-VWVGJFTFSA-N 383.429 3.189 30 40 GGEB CCOC(=O)C(C(=O)OCC)c1cc(-c2cc3ccccc3o2)oc(=O)c1C#N 1617033 RJFPHBQUZFEDTA-UHFFFAOYSA-N 395.367 3.134 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)NC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 2625502 LRRWICKICXGRIA-GFCCVEGCSA-N 387.509 3.104 30 40 GGEB C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN(CCO)Cc3ccccc3)C(=O)O[C@@H]1C2 4028009 VTCCECULTVEOLP-BLLLPLFDSA-N 399.531 3.008 30 40 GGEB Cc1noc(C(C)C)c1C(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N 33022453 ZTJBJFHRVOZCPF-UHFFFAOYSA-N 392.463 3.109 30 40 GGEB CCNNC(=S)N[C@H](/N=C(\OC)c1ccc(C)cc1)C(Cl)(Cl)Cl 103529269 RSLLMCIISUWHAH-XHEYCZLTSA-N 397.759 3.073 30 40 GGEB C=CCN1C(=O)S/C(=C\c2ccc(O)c(I)c2)C1=O 408962364 HUEXTMXZMUFTAO-XFFZJAGNSA-N 387.198 3.219 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2c(C)nn(Cc3ccccc3)c2C)cc1 6233949 BXTZDFLDSPPEJT-FYJGNVAPSA-N 382.489 3.169 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1OC 5427774 QQAUDNVQAPKJPT-RBZFPXEDSA-N 392.415 3.304 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)o1 5595830 YJHYLEGIIYADGN-GROYHEBESA-N 388.851 3.225 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc(O)cc2)no1 9359854 KQTKYFBGYMBMHQ-GOSISDBHSA-N 376.368 3.472 30 40 GGEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224643050 QSQAERMXMNHSJL-UHFFFAOYSA-N 375.446 3.172 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773841 QAZLGCUOYSNOJB-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB Cn1ccc(CN2CCCC[C@H]2c2csc(=Nc3ccc(C#N)nc3)[nH]2)n1 585294119 ODMBMHMQGXJSHT-SFHVURJKSA-N 379.493 3.036 30 40 GGEB C=CCn1c(SCC(=O)N[C@H](C)CC)nnc1-c1ccc([N+](=O)[O-])cc1 3556242 FPLUZHWFBBBQPC-GFCCVEGCSA-N 375.454 3.046 30 40 GGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 6072807 PUVFXLLIBWYAPB-HIPMGEKLSA-N 384.384 3.260 30 40 GGEB biogenic N#Cc1cc2cc3c(cc2nc1SCC(=O)NC1CCCCC1)OCCO3 1354929 PWDBMCVFCWAQKW-UHFFFAOYSA-N 383.473 3.419 30 40 GGEB C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 11373245 YVFLIMLAGJHTLP-JTQLQIEISA-N 398.271 3.171 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)c(Cl)c1 4986765 ZEPMZIVJWHYAGI-FFTROKDMSA-N 382.243 3.249 30 40 GGEB COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(O)c2)c1 21259485 KQXOVBPLQTWSTL-DOTOQJQBSA-N 393.439 3.414 30 40 GGEB COc1ccccc1[C@@H]1NC(=O)C(=O)/C1=C(/O)c1ccc(Br)cc1 102863999 JMAXIZKLEACJPF-IDTYTIONSA-N 388.217 3.167 30 40 GGEB CCOC(=O)C1=NN(c2ccccc2)C(=C2C(=O)c3ccccc3C2=O)S1 1019410 GVKDXZSWDKPHPT-UHFFFAOYSA-N 378.409 3.407 30 40 GGEB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1 3334885 KJBZLZIAXWTYDP-UHFFFAOYSA-N 379.416 3.205 30 40 GGEB C=CCOc1c(Cl)cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OCC 9295585 ZBUDMRJWKMYGHJ-AATRIKPKSA-N 393.783 3.171 30 40 GGEB Cn1nnnc1-c1cccc(NC(=O)/C=C/c2cn(CCC#N)c3ccccc23)c1 9905659 NSJVTOWJTFGIGI-ZHACJKMWSA-N 397.442 3.397 30 40 GGEB Cc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cc(Cl)ccc2C#N)C1=O 408529923 DKLTVKPJRDDACV-CQSZACIVSA-N 380.791 3.122 30 40 GGEB C=CCN(C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCS(=O)(=O)C1 96298136 TUTVWVBOAXPIDJ-JUNKOJRSSA-N 377.550 3.351 30 40 GGEB C=CCc1cc(C(=O)N2CCC(c3nn(C)c4nccnc34)CC2)ccc1OC 12228631 MRJKKGCAPVUFMY-UHFFFAOYSA-N 391.475 3.120 30 40 GGEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 101661168 LXWHTUDVXQIKFJ-FQEVSTJZSA-N 377.460 3.113 30 40 GGEB NC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC(F)F)cc1 3239339 YTMTUIZQSLDMQN-LSHDLFTRSA-N 387.415 3.308 30 40 GGEB N#Cc1c(-c2ccccc2)nc(SCC(=O)OCCc2ccccc2)[nH]c1=O 5238252 WEIJBKXWNQLTDU-UHFFFAOYSA-N 391.452 3.187 30 40 GGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@H]12 6472581 PAXXEMKFBLFNJK-DRJBRKBZSA-N 375.509 3.140 30 40 GGEB biogenic C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 5504657 GANVYUQFAYTVDP-UDWIEESQSA-N 390.465 3.376 30 40 GGEB CCS(=O)(=O)c1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1 14813929 JETRURCRFBRUKB-UHFFFAOYSA-N 377.853 3.056 30 40 GGEB CCOc1cc(/C=N\Nc2ccc(Br)cc2)ccc1OCC(N)=O 409200501 HRFHPJIMLWONPI-JMIUGGIZSA-N 392.253 3.158 30 40 GGEB C/N=C1/S/C(=C/c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C(=O)N1C 408929897 PKVAVGUKUYZITM-SYFXMVHNSA-N 399.447 3.375 30 40 GGEB CCO/C=N/S(=O)(=O)c1ccc(N2CC=C(c3ccc(Cl)cc3)N2)cc1 255189437 PWWHQPSHHXCYLM-DEDYPNTBSA-N 391.880 3.459 30 40 GGEB Cc1cccc(O[C@H](C)c2nnc(/N=C(\O)C3=NN(C)C(=O)CC3)s2)c1C 19235677 BRMMGORUTVNXRU-GFCCVEGCSA-N 387.465 3.491 30 40 GGEB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(C#N)c3)n2)cc1 29113373 RTAIGZCOYQBEQS-UHFFFAOYSA-N 398.469 3.306 30 40 GGEB CCOc1ccc(S(=O)(=O)N/N=C/c2c(F)c(F)c(F)c(F)c2F)cc1 6656889 UOWBWCHJSOQLNS-QPSGOUHRSA-N 394.321 3.093 30 40 GGEB C=CCn1nnnc1NCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 7602047 BVTBICCWWWOQNY-UHFFFAOYSA-N 386.843 3.107 30 40 GGEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2cccnc2)s1 102743923 HWYLGPZXGOEDOO-SXWSKBOKSA-N 396.428 3.276 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC(C)=O)cc1 862318 QNLNTDGLIHFAMU-IBGZPJMESA-N 383.444 3.389 30 40 GGEB COC(=O)c1ccc2nc(N/C=C3\C(=O)Oc4ccccc4C3=O)sc2c1 44827557 IROLRPGRQBDKDX-XFXZXTDPSA-N 380.381 3.181 30 40 GGEB CC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\Cc3ccc(C)cc3)NC2=O)cc1 6300131 QPIBPJJUVHEDEQ-GOSISDBHSA-N 395.484 3.314 30 40 GGEB COCc1cc(C)nc(SCC(=O)Nc2ccc(Cl)cc2O)c1C#N 409411327 GFXPQQSWURCLEV-UHFFFAOYSA-N 377.853 3.498 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\NCCc1nc(-c2ccc(Cl)cc2)no1 1547201117 WSWXNFQOOCCNDR-RVDMUPIBSA-N 395.802 3.208 30 40 GGEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507926 PSHWVZZHJHWOQQ-SVQNHAPJSA-N 380.535 3.212 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892432 UNIWPWRITZFUBI-UHFFFAOYSA-N 390.461 3.044 30 40 GGEB N#C[C@]1(CO)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648782 RHKZGZVVHFEOJX-BBWFWOEESA-N 382.268 3.435 30 40 GGEB C=CCN1CCN(C(=O)C2CCC2)[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257247756 JAHZCVUYXOZZLM-JOCHJYFZSA-N 389.499 3.317 30 40 GGEB Cc1ccc(/C=C/C(=O)N2CSC[C@@H]2C(=O)Nc2ccc(C#N)cc2)s1 65562864 QRFBSXMXBZUMAV-KBOKABMXSA-N 383.498 3.482 30 40 GGEB CC[C@H]1CCCCN1C(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 40037369 FYRPDXLWXJGIIH-UGKGYDQZSA-N 382.552 3.246 30 40 GGEB N#Cc1c(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)sc2c1CCCC2 2781223 XMOSFWOSXRHNIE-UHFFFAOYSA-N 397.416 3.497 30 40 GGEB O=C1Nc2ccc(Br)cc2/C1=N\N1C(=O)C(O)=C[C@@H]1c1ccccc1 1663136 ZXOOGYBGEAWFJT-CQSZACIVSA-N 398.216 3.131 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 48287821 LBFQGRKVORJKEN-UHFFFAOYSA-N 383.383 3.396 30 40 GGEB N#Cc1ccc(S(=O)(=O)N(Cc2cccnc2)c2ccc3c(c2)OCO3)cc1 7059553 KDGDFGAOLZUEBG-UHFFFAOYSA-N 393.424 3.077 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 408615088 LRCLTWBJLDJPSQ-UHFFFAOYSA-N 394.880 3.310 30 40 GGEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccc(O)c(O)c1 1241268 XVNHNKLSZJISOP-YDZHTSKRSA-N 387.395 3.269 30 40 GGEB O=C(/C=N/OCC(=O)NCc1cccc(Cl)c1)Nc1ccccc1Cl 11095281 NWAOHOUHPKSAAQ-UFFVCSGVSA-N 380.231 3.251 30 40 GGEB O=C(C[C@H]1S/C(=N\N=C\c2ccco2)NC1=O)c1ccc2c(c1)CCCC2 16754169 ACVOJCDZLNHLEV-AGKWGAAGSA-N 381.457 3.353 30 40 GGEB N#Cc1ccnc(OC[C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)c1 1775971036 LYBXEVNZKFOPFS-OAHLLOKOSA-N 391.880 3.086 30 40 GGEB CCCCCCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(F)cc1 101028622 HFUNYHRZWNHCJB-UHFFFAOYSA-N 387.459 3.019 30 40 GGEB CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)O[C@@H](C)COC 2326496 GFNAPRNKVNGSSL-HOTGVXAUSA-N 384.480 3.441 30 40 GGEB Cc1nn(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)c(C)c1[N+](=O)[O-] 11329783 XWJNTJDROLCVJZ-UHFFFAOYSA-N 392.419 3.326 30 40 GGEB CCOC(=O)c1ccc(Oc2nc3ccccc3nc2[C@@H](C#N)C(=O)OC)cc1 32923281 OGMABMKPYYDCSO-OAHLLOKOSA-N 391.383 3.379 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1cccc(Cl)c1 102798565 AZBWFXYFRSVUGO-DPEHCCBOSA-N 377.849 3.470 30 40 GGEB N#Cc1ccccc1N1CCCN(CC(=O)NCc2ccc(Cl)cc2)CC1 52800934 ZIPASMHGIIYIMG-UHFFFAOYSA-N 382.895 3.040 30 40 GGEB C=CCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 22275007 WXJSIYXPXOXWNQ-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB N#CC1CCN(C(=O)[C@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 58439877 QOKITOZOFULHMM-MRXNPFEDSA-N 380.275 3.360 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 113856285 QMPLJUJNVKJFKR-VIZOYTHASA-N 381.142 3.417 30 40 GGEB Cc1c(/C=N/Nc2cc(N(C)C)nc(N(C)C)n2)c(Cl)nn1-c1ccccc1 4588189 SNWXUVOFOGIKAE-CIAFOILYSA-N 398.902 3.202 30 40 GGEB N#Cc1cccc(NC(=O)COc2ncnc3ccc(Br)cc23)c1 7779892 RXDDBYXNVOPGQM-UHFFFAOYSA-N 383.205 3.281 30 40 GGEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccccc1F 408740353 FTGKRMHEYWTCDI-AHURVMIPSA-N 375.812 3.246 30 40 GGEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(C)nc(=O)c32)c1 44974055 QWGRDJFTVGEHJB-KRWDZBQOSA-N 395.459 3.296 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220309731 WJBSMUMSIMJZPT-CQSZACIVSA-N 392.452 3.184 30 40 GGEB COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccc1OC 49551305 ZBMIKSDTPUWYAG-GOSISDBHSA-N 381.432 3.336 30 40 GGEB CCN1CCN(c2ccc(/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)cc2)CC1 3038162 LPYYQBBITVUBFO-FYJGNVAPSA-N 382.420 3.216 30 40 GGEB O=C(C[C@@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)c1ccccc1 5649899 CSWSXPJZDQIBHY-YPKZHZFPSA-N 376.441 3.362 30 40 GGEB C(=N/N=c1/[nH]c(-c2ccc3c(c2)OCCO3)cs1)\c1ccc2c(c1)OCO2 2684381 VLMYTFRCSNGDCG-AWQFTUOYSA-N 381.413 3.178 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 585147843 BQDMJEZPQZAEFH-CQSZACIVSA-N 397.481 3.137 30 40 GGEB C=CCOc1ccc(/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1OC 16732674 SKIQLKPXIDCLRS-WJDWOHSUSA-N 397.481 3.001 30 40 GGEB C=CCN(C(=O)[C@H](C)N1C(=O)c2ccccc2C1=O)c1nc2c(s1)CCCC2 23660054 CHLQFYFRULASJB-ZDUSSCGKSA-N 395.484 3.226 30 40 GGEB C=CCn1c(SCC(=O)NCCc2ccccc2)nc2sc(C)cc2c1=O 5017300 GYUKYDSCNAVZMI-UHFFFAOYSA-N 399.541 3.403 30 40 GGEB O=S(=O)(/N=C(\O)CCc1cc(F)ccc1F)c1ccc2c(c1)OCCO2 65763707 HASJXBOGEXMYOB-UHFFFAOYSA-N 383.372 3.014 30 40 GGEB N/C(=N\OC(=O)COc1ccc(Cl)cc1)c1ccc(Br)cc1 4682084 KFZFLFWYMKPNTB-UHFFFAOYSA-N 383.629 3.345 30 40 GGEB Cc1ccccc1/N=C1\SCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 12864769 BSTZCPZBKYLTHV-DTLHYBNHSA-N 375.519 3.012 30 40 GGEB N#CC1(C(=O)N2CC[C@@H]3OCCC[C@]3(COCc3ccncc3)C2)CCCC1 1565543039 JHSGEMCAZUXEJV-SIKLNZKXSA-N 383.492 3.080 30 40 GGEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@@]2(NC(=O)c1ccc(F)cc1)C(F)(F)F 4615318 OUZBNDNWUZQZKG-QGZVFWFLSA-N 385.313 3.057 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Br)cc1)CC(=O)N2 4944251 LXDLPZGQEQGISE-NSHDSACASA-N 392.278 3.285 30 40 GGEB CCCCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1[C@H](CC)N(C)C 2664377 YBBDFCGLBSZGTH-HNAYVOBHSA-N 394.589 3.237 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccn1 102730731 QGBILQYUROVHMD-GHNGSUTGSA-N 399.516 3.297 30 40 GGEB Cc1c(C#N)c(SCC(=O)N2CCC(c3ccccc3)=N2)nc2c1CCC2 22122637 RIQYVQXCKGBJAA-UHFFFAOYSA-N 376.485 3.479 30 40 GGEB N#Cc1ccccc1NC(=O)CSc1nnc(C2CC2)n1Cc1ccco1 3385143 WTYJFHQXXFDPIY-UHFFFAOYSA-N 379.445 3.399 30 40 GGEB Cc1ccccc1-c1nnc(S)n1/N=C/c1ccc(N2CCOCC2)s1 8509867 RCBFKISWMNTAPW-XDHOZWIPSA-N 385.518 3.323 30 40 GGEB O=c1c2ccccc2nc(O)n1N=Cc1c[nH]c2ccc(Br)cc12 409341133 CXIYPBATJJXKIY-UHFFFAOYSA-N 383.205 3.228 30 40 GGEB CN(C)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9483814 CNKJRDKGPQLBLN-VLIAUNLRSA-N 375.432 3.353 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409136869 VGRIXEJLSSAWRG-SFQUDFHCSA-N 379.372 3.253 30 40 GGEB COC(=O)c1ccc(/C=C2/Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 37857376 FHBUBKBWIZJUJX-XDHOZWIPSA-N 379.412 3.391 30 40 GGEB N#CC1(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218175874 ZSZPXENVZHHLPU-DLBZAZTESA-N 386.816 3.042 30 40 GGEB C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OC)c1OC 15008650 LHLUOSKCONJPEM-PDGQHHTCSA-N 378.453 3.203 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5246396 AEAODYJICOXTLQ-CMQBPOAVSA-N 394.562 3.287 30 40 GGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3[C@H]3O[C@@]132 100776301 DPJQDKPYAYDAMH-HBSGKFGESA-N 387.495 3.483 30 40 GGEB biogenic CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OCC#N 4354238 KUJDOPILYAJXIK-KRWDZBQOSA-N 396.443 3.079 30 40 GGEB O=S(=O)(Nc1nccs1)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 101670169 JNXQLPYKBLJQKA-VXLYETTFSA-N 387.442 3.423 30 40 GGEB C=CCCO[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 57992940 MSKGDIFDWPJBNL-MRXNPFEDSA-N 380.510 3.171 30 40 GGEB N#Cc1ccc(CCC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc1 25215738 HZAWWDHCMRJJSE-UHFFFAOYSA-N 379.435 3.051 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)c1 20231587 CNMKKKSAOGOYRW-FQEVSTJZSA-N 394.471 3.144 30 40 GGEB CC1CCN(c2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2[N+](=O)[O-])CC1 13133035 JHEXCYUFEDLZDG-UHFFFAOYSA-N 394.497 3.082 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 13122785 RMICAPWZOKDYBH-MGPUTAFESA-N 394.471 3.020 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(C[C@@H]2CCCO2)c1C 8533501 BYWIFSWJORCMJB-INIZCTEOSA-N 386.521 3.288 30 40 GGEB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(C#N)c1)C2=O 6313388 HZUHQTKVOVANKQ-UHFFFAOYSA-N 382.464 3.024 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)cc1 5799644 INDHTQWGQOMIFM-LIRRHRJNSA-N 381.428 3.044 30 40 GGEB CC[C@@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O 4538017 FEKACBVPLHMFNN-UHHPSXQGSA-N 378.450 3.429 30 40 GGEB N#Cc1ccc(-c2ccc(OCC(=O)N3N=CC[C@]3(O)C(F)(F)F)cc2)cc1 5505071 QHHNTJYQWZFBNF-SFHVURJKSA-N 389.333 3.073 30 40 GGEB N#CCc1ccc(NC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)cc1 7835779 MQSKYSPVUMYIFB-UHFFFAOYSA-N 378.306 3.447 30 40 GGEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cnn(-c3ccccc3)c2)cc1 7910037 MCHSCMLTWWKFSV-MDWZMJQESA-N 375.428 3.235 30 40 GGEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 9374556 ICVYACXIHFYFLF-YDJIHCHBSA-N 394.471 3.069 30 40 GGEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225007027 VYBQKTGBSSEBRI-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB CCc1ccc([C@@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 19961324 JYHPNWQMOBYTRO-SJORKVTESA-N 385.427 3.300 30 40 GGEB COc1cc(/C=N/N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 1661085 DDYCVNVXONZPBT-XHQRYOPUSA-N 388.420 3.191 30 40 GGEB COc1ccc([C@H](C)NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1F 45850204 XSCUILQVYYMQDU-AWEZNQCLSA-N 382.439 3.195 30 40 GGEB CCOc1ccc(N2C(=O)C[C@@H](Sc3nc(C)cc(C)c3C#N)C2=O)cc1 778139 OHRYIVLVDUOWTP-QGZVFWFLSA-N 381.457 3.393 30 40 GGEB COc1cc(OC)c(C2=CCN(c3nnc(C)c(C)c3C#N)CC2)c(OC)c1 24055540 AVSHYYQVASUDNK-UHFFFAOYSA-N 380.448 3.285 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)Nc2sccc2C#N)cc1 6881577 WVIPAUXWFSJSTR-INIZCTEOSA-N 389.502 3.110 30 40 GGEB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1/N=C/c1ccc2c(c1)OCO2 7238815 DKYXSDQGIHICII-ZVBGSRNCSA-N 389.323 3.107 30 40 GGEB Cc1cc(C(=O)O)ccc1-c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409408545 RDPIHWCAVDDNPO-BIPCEHGGSA-N 390.395 3.094 30 40 GGEB CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=Nc1ccccc1 408961689 DINMLCFGIHOMTM-OYBLBNEUSA-N 381.457 3.175 30 40 GGEB CCOc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1Br 409353318 IYSKYFFWJWIVKH-UHFFFAOYSA-N 388.221 3.146 30 40 GGEB Cc1csc([C@H](C#N)C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)n1 31683191 JWVNASPPWXPJJQ-GFCCVEGCSA-N 392.366 3.000 30 40 GGEB COc1cccc(/C(C)=N/Nc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1 7780623 VDZUUDGKQIYAOG-RCCKNPSSSA-N 388.493 3.101 30 40 GGEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1)C1CCCCC1 102061442 ROYVTCJARCSFKX-FTFAEBDGSA-N 396.509 3.007 30 40 GGEB COc1ccccc1-n1cnnc1SCC(=O)N(CCC#N)c1ccccc1 2616384 QJTMNFMTZCWMCY-UHFFFAOYSA-N 393.472 3.315 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccccc2)cc1 102520171 VMRACLSWOUZLOP-WOOAAIBNSA-N 379.412 3.282 30 40 GGEB N#Cc1ccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1 9691674 DCPCGWZPDNEKLD-UHFFFAOYSA-N 398.465 3.142 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 102859972 WVGRORMZPRSHOQ-WOOAAIBNSA-N 381.428 3.153 30 40 GGEB COc1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC#N 5173470 ANZSLYWBDLCRNE-DHDCSXOGSA-N 397.818 3.021 30 40 GGEB C=CCn1c(N)c(S(=O)(=O)c2ccc(F)cc2)c2nc3ccccc3nc21 5253056 IFTZFFCMSATBNG-UHFFFAOYSA-N 382.420 3.325 30 40 GGEB Cc1ccc(NC(=O)COc2ccc(/C=N\N3C(=O)CSC3=S)cc2)cc1 409343634 FGUIMESKFFEYGI-JMIUGGIZSA-N 399.497 3.207 30 40 GGEB CC(C)c1ccc([C@@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 19961558 LNPMKJBKZVCXDH-SJORKVTESA-N 391.475 3.107 30 40 GGEB COc1ccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)cc1 89439016 YZFJZSXYANGXAU-PWRODBHTSA-N 378.428 3.077 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 409142252 XFBMAKSJLCUOCZ-MDWZMJQESA-N 395.253 3.324 30 40 GGEB C=CCn1c(Sc2ccc([N+](=O)[O-])c3nonc23)nnc1-c1ccccc1O 408607793 USRVQKRMUXAEAB-UHFFFAOYSA-N 396.388 3.432 30 40 GGEB O=C(O)COc1cccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c1 409405110 SRYKAHHGEHWIMH-UHFFFAOYSA-N 399.406 3.409 30 40 GGEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O 409174413 SMFLKICLXDZZTC-GZTJUZNOSA-N 395.440 3.224 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 225941304 SEHOEPKKISIXLJ-IIBYNOLFSA-N 398.484 3.107 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCC[C@@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 225924867 GUMGUZPMZMXJFS-HZPDHXFCSA-N 388.585 3.422 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2F)cc1OC 5027167 CPJAPCLJZGLIJX-HXUWFJFHSA-N 399.418 3.370 30 40 GGEB CCCNC(=O)c1ccc2c(=O)n(-c3cccc(F)c3)c(SCC#N)nc2c1 12415196 BEWKXNVZCRTBKJ-UHFFFAOYSA-N 396.447 3.280 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)cc2)cc1 1775979078 ZEYRRJUVEUXYQH-SFHVURJKSA-N 384.482 3.299 30 40 GGEB N#Cc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)c(F)c1 6422927 VALCQQZCODCUOD-UHFFFAOYSA-N 382.420 3.396 30 40 GGEB COc1ccc(CNC(=O)C[C@@H]2S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 105037503 MTHWACRWUOTEAO-NKWDDMGQSA-N 397.500 3.271 30 40 GGEB CC[C@H](C)[C@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 24978483 QGCXKASVYAMEHJ-IFXJQAMLSA-N 376.412 3.312 30 40 GGEB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCN(C)CC3)c2C#N)C1 23253665 RNGDAADJNJXYLK-HNNXBMFYSA-N 388.581 3.347 30 40 GGEB C=CCSc1nnc(NC(=O)CCCn2c(=O)oc3ccccc32)s1 12810971 VEHMEHHVADCSIA-UHFFFAOYSA-N 376.463 3.143 30 40 GGEB CN(C(=O)CSc1ncc(C#N)c(N)n1)C(c1ccccc1)c1ccccc1 3434619 ZNOQOXPHHCJYNU-UHFFFAOYSA-N 389.484 3.271 30 40 GGEB COc1ccccc1N1C(=O)[C@H](C)S/C1=N\S(=O)(=O)c1ccccc1C 13843612 PLUKKJNHFDVWBU-UNQMGURYSA-N 390.486 3.217 30 40 GGEB CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1O 409411298 FPBMSEOPIAHNCO-UHFFFAOYSA-N 379.445 3.273 30 40 GGEB N#Cc1ccccc1COc1ccccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409407416 UAMMUIAOGZEJRW-WWLNLUSPSA-N 397.434 3.278 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 32634103 SHETZJNPPWXUAQ-QJGXAYKQSA-N 386.926 3.132 30 40 GGEB O=C(O)c1ccc(N/N=C2\C(=O)N(C3CSC3)c3ccc(Cl)cc32)cc1 223738038 OZBLKGUPMONHCB-PGMHBOJBSA-N 387.848 3.316 30 40 GGEB COC(=O)C[C@@H](c1ccc(C#N)cc1)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96117889 SISLZOVRNGBRNC-SFHVURJKSA-N 391.427 3.281 30 40 GGEB O=c1c2ccccc2ncn1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 7098271 LOEXZPQBQGLHCX-FOKLQQMPSA-N 387.355 3.374 30 40 GGEB S=C(NCc1ccccc1)NN=Cc1cc2c(cc1Br)OCO2 16480014 JJTWBYIXCPFLCC-UHFFFAOYSA-N 392.278 3.176 30 40 GGEB NC(=O)COc1ccc(Br)cc1/C=N\Nc1ccccc1Cl 4647002 OJCVLDYYNSWSIB-UWVJOHFNSA-N 382.645 3.413 30 40 GGEB CCc1nnc(N/N=C/c2ccc(-c3ccc(OC(F)(F)F)cc3)o2)n1N 4452422 ZEAWWQSJJLUCIX-ZVBGSRNCSA-N 380.330 3.159 30 40 GGEB N#Cc1ccccc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 5298893 PDVHYEQZYNDWIW-ZDUSSCGKSA-N 395.893 3.065 30 40 GGEB CC(C)NC(CCCN1C(=O)c2ccccc2C1=O)=C1C(=O)CC(C)(C)CC1=O 100154776 MRAUWNHGWLXMGS-UHFFFAOYSA-N 396.487 3.273 30 40 GGEB C=CCn1c(S)nc2cc(C(=O)Nc3ccc(OC)c(OC)c3)ccc2c1=O 3630104 XWXBANLLPQRWBC-UHFFFAOYSA-N 397.456 3.141 30 40 GGEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(S(=O)(=O)N[C@H](C)CC)cc1 60100894 MPOLCIAOQLVKLT-GOSISDBHSA-N 398.528 3.347 30 40 GGEB CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@]1(NC(=O)CC(C)C)C(F)(F)F 12402715 DCHCIALQTWKGJA-IBGZPJMESA-N 396.409 3.355 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 13019494 XJJKPCGVMXHDLH-UHFFFAOYSA-N 376.363 3.306 30 40 GGEB CCCCOC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5009286 NKNYGGHPAMHMLF-UHFFFAOYSA-N 390.443 3.236 30 40 GGEB CC/C(=N\Nc1ccc(S(=O)(=O)N(CC)CC)cn1)c1ccc(F)cc1 6408173 KSIOXOZTASLAKH-HEHNFIMWSA-N 378.473 3.477 30 40 GGEB COc1ccc(-c2cc3c(=O)n(Cc4cccc(C#N)c4)ccn3n2)cc1OC 67260811 NAXCISKYZAUPIA-UHFFFAOYSA-N 386.411 3.100 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 19153189 ZRWJLIGGEFZZOE-AEFFLSMTSA-N 398.846 3.492 30 40 GGEB COc1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1O 9359214 ZNEPRWXFAISFCH-RGVLZGJSSA-N 392.444 3.220 30 40 GGEB O=C(NCc1ccc2c(c1)OCO2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97944225 KFSOEOXUNURMHW-UHFFFAOYSA-N 397.193 3.500 30 40 GGEB N#Cc1nn(-c2ccc(Br)cc2)nc1N1CCc2ccccc2C1 256048879 WUQGMMDMLZDCJN-UHFFFAOYSA-N 380.249 3.464 30 40 GGEB COc1ccccc1OCC#CCNC(=O)c1ccc(OC(F)(F)F)cc1 90610409 FMHOCDIZTYCUMO-UHFFFAOYSA-N 379.334 3.406 30 40 GGEB CC(=O)/C(C(=O)Nc1cc(=O)c2ccccc2o1)=C(/C)NCc1ccccc1 4645135 BHGUUMJXRLRRGD-KGENOOAVSA-N 376.412 3.384 30 40 GGEB Cc1cc(C)n(N2C(=O)C[C@@H](c3ccsc3)C3=C2CCCC3=O)c(=O)c1C#N 6667835 HRNJPHYHHIEYBA-HNNXBMFYSA-N 393.468 3.058 30 40 GGEB N#Cc1c(NC(=O)CSc2nc(-c3cccnc3)n[nH]2)sc2c1CCCC2 4129574 BYAQQQWPRBDTOK-UHFFFAOYSA-N 396.501 3.409 30 40 GGEB CCN/C(S)=N/N=C\c1cc(Br)cc(Br)c1O 12374315 PZLNDRPABDGZQI-RZNTYIFUSA-N 381.093 3.146 30 40 GGEB Cc1cccc2sc(NC(=O)CSc3nc(N)c(C#N)cc3C#N)nc12 36235197 AJSVKSYJWAVTIF-UHFFFAOYSA-N 380.458 3.056 30 40 GGEB C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1C1CCCCC1 38141160 BMBAZMILIXTVNR-UHFFFAOYSA-N 379.530 3.086 30 40 GGEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2cccnc2)s1 13692641 DDIAOLUNWUOLAW-ZDUSSCGKSA-N 384.442 3.086 30 40 GGEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(C(=O)O)cc1)n1ncnc1N2 18196301 GCHSJARTISGIFA-FZKQIMNGSA-N 392.440 3.454 30 40 GGEB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2sccc2C#N)CC1=O 8036998 QGLXMEYBXUNANY-LLVKDONJSA-N 375.837 3.273 30 40 GGEB CSc1ccc(/C=N/N=c2[nH]c3nonc3nc2N[C@@H]2C=CC(F)=CC2)cc1 408735197 LVXOCBCDXKUVBT-RNDVCUHJSA-N 397.439 3.196 30 40 GGEB C=CCN(c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O 408608501 NKWWWRVNBOYGKD-UHFFFAOYSA-N 388.533 3.337 30 40 GGEB C#CCNC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 32678953 XXSCVBQVODJYPG-UHFFFAOYSA-N 397.283 3.086 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl 32634346 ZMAXDVAVGLQQQJ-CYVDBUDESA-N 393.317 3.005 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225113194 MMXXXKPPIQODGG-UHFFFAOYSA-N 380.397 3.432 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 10252672 CMZMUDMIFSRYLG-GFCCVEGCSA-N 388.514 3.329 30 40 GGEB CN(C)/C=C1/S/C(=N/S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O 100887851 RVSUBSDJJSFHLD-BBDGVTCJSA-N 393.534 3.042 30 40 GGEB CC1(C)CC(/N=C2/C([N+](=O)[O-])=CC=C3NC4(CCCCC4)N=C32)CC(C)(C)N1 101192242 PPJOJKOMJBFFSC-PYCFMQQDSA-N 385.512 3.499 30 40 GGEB N#C[C@@H](C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 41498285 WCEUQSGQRAMRGR-AWEZNQCLSA-N 390.399 3.471 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 100301596 KFTVOWXKQNSPKK-UYZFILPBSA-N 376.387 3.473 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@@H]2c1ccccc1 1431779 ZRPHZYINOYRYBN-SIFCLUCFSA-N 379.412 3.073 30 40 GGEB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O 4987420 AVKZXMJBVOUXAF-HOCLYGCPSA-N 393.439 3.414 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 23220064 KNQMFIOGMSBIBG-KPZWWZAWSA-N 399.322 3.307 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccncc1 13127716 UZTBPMGMTYSIOU-IBGZPJMESA-N 397.450 3.141 30 40 GGEB Cc1ccc(-c2nnn(CCC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 7917257 JLDRYWJWUDGCNI-UHFFFAOYSA-N 392.488 3.489 30 40 GGEB N#CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 409359117 MTYMCLMXLQPTDS-VBKFSLOCSA-N 395.465 3.135 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 408630925 YCBYZRLOJFFJSQ-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224799966 MQKARPFITPUQPG-UHFFFAOYSA-N 393.461 3.102 30 40 GGEB C=CCn1ccc2c(OCC(=O)Nc3ccc(C(C)=O)cc3)cccc2c1=O 4584241 DSBRGEFDXAYLBG-UHFFFAOYSA-N 376.412 3.408 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2OC)C3=O)CC1 22575527 GZXUZCUZQNHRST-STZFKDTASA-N 394.471 3.155 30 40 GGEB COc1ccc(Br)cc1/C=N/N1CCN(c2ccccn2)CC1 100857629 FFPPHRSSJJRTAY-DEDYPNTBSA-N 375.270 3.009 30 40 GGEB N#CCOc1ccccc1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 59136439 WXQZCDASMAJVML-ACCUITESSA-N 381.388 3.400 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccncc1 102874427 DASMEHSQNFIYPA-YDJIHCHBSA-N 393.487 3.235 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nncs2)cc1 104181267 UIWKPSJSWBPNEY-UYTDBDHRSA-N 377.425 3.473 30 40 GGEB CC[C@@](C)(C#N)NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 58169330 VMDDBWVEAVYEIV-FQEVSTJZSA-N 392.488 3.377 30 40 GGEB CCC[C@@H](C)NC(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 12755924 LZYJOIXZORGZGW-CYBMUJFWSA-N 397.504 3.185 30 40 GGEB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 12913222 ZBAMCDCOHZGGHG-OAHLLOKOSA-N 399.878 3.144 30 40 GGEB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)c(OC)c1 5170782 SCRQOHONAPSPPG-UHFFFAOYSA-N 396.428 3.356 30 40 GGEB CN(C)/C=C(\C(=O)c1ccc(F)c(F)c1)c1nnnn1-c1ccc(Cl)cc1 4452652 RYCFYUPIVIKWIZ-GXDHUFHOSA-N 389.793 3.379 30 40 GGEB CC(C)N1/C(=C/c2ccc3c(c2)OCCO3)C(=O)c2ccccc2S1(=O)=O 9050909 BQBOGUVDEKMABZ-LFIBNONCSA-N 385.441 3.094 30 40 GGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 409242241 WCJJTLTTXSPRHX-CPNJWEJPSA-N 390.439 3.499 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)cc1 225694438 ASPYENMTFRPGMQ-UHFFFAOYSA-N 390.486 3.449 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)cc2)cc1 575610139 KRKGENNSAOJVIE-LJQANCHMSA-N 384.482 3.299 30 40 GGEB Cc1sc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c(C#N)c1C 5298880 BJKFUHFEXJUBQP-ZDUSSCGKSA-N 395.531 3.090 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 102932727 RAJJDHWBWNZERW-UYAGBXLBSA-N 393.439 3.296 30 40 GGEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N1C(=O)NC2(CCCCC2)C1=O 3307794 ZDNDFUPSMSCOGQ-CIAFOILYSA-N 385.855 3.423 30 40 GGEB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 6141777 OWIUYKHXXGQKHN-GFCCVEGCSA-N 379.445 3.471 30 40 GGEB C=CCOc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccccc1 5377444 XMGWWFGQLMNWGY-LDADJPATSA-N 395.278 3.326 30 40 GGEB C=CCN(CC=C)C(=O)c1ccc(N2C(=O)c3nc4ccccc4nc3C2=O)cc1 408976473 RBWKNFZOSIEHKA-UHFFFAOYSA-N 398.422 3.245 30 40 GGEB C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]12C 247999512 CTWGHMFXWBBNSE-MVODSKTCSA-N 380.525 3.226 30 40 GGEB biogenic,in-vitro COc1cc(NC(=O)N2CCC(Oc3ccc(C#N)cn3)CC2)cc(OC)c1 90607651 HUWXEIPFDNMNAC-UHFFFAOYSA-N 382.420 3.046 30 40 GGEB C[C@@H](Sc1ccccc1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48461680 KZIWITZBEGWULL-GFCCVEGCSA-N 379.459 3.284 30 40 GGEB C=CCN1CCN(C(=O)CC)C[C@H](Cc2cccc(-c3cccnc3)c2)C1=O 19498927 ROAIIOTZBXBCTC-NRFANRHFSA-N 377.488 3.174 30 40 GGEB O=c1c(/C=N/C[C@@H]2CCCO2)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 100718250 ITCGAWSXFRCAGK-LUKZVCJISA-N 396.394 3.392 30 40 GGEB COc1ccc(CN2C(=O)C[C@H](C(=O)O)S/C2=N\c2ccc(F)cc2)cc1 2728736 SYHBIHZMBQHXAX-BSBNDGSWSA-N 388.420 3.441 30 40 GGEB COc1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1O 100260846 SHKWYKOLLHIYKS-DCVQPNPVSA-N 384.413 3.333 30 40 GGEB COc1cc(/C=N/n2cnnc2SCc2ccccc2)cc([N+](=O)[O-])c1O 36077555 CWGSFWCYESANJD-DJKKODMXSA-N 385.405 3.075 30 40 GGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCCC)c(OC)c1 28290308 WJHRWDAQKUUFKX-GOSISDBHSA-N 390.505 3.396 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)C(C(=O)OC)=C(C)N2 8135246 HXNFDDGDPNZIDN-HNNXBMFYSA-N 399.472 3.061 30 40 GGEB CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1OCc1ccccc1F 4422739 RVWXVPVXQBIBBF-SSDVNMTOSA-N 397.410 3.036 30 40 GGEB N#Cc1ccc(OC[C@@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 14076230 KCXNKPIHOYUVOH-ZDUSSCGKSA-N 390.226 3.015 30 40 GGEB CCOc1ccc2nc(NCCNC(=O)NCc3ccccc3)c(C#N)cc2c1 20151188 HWUWLFDYLPIBIX-UHFFFAOYSA-N 389.459 3.416 30 40 GGEB N#Cc1ccc(NC(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1 32912707 JDONZZMUSGFMCV-UHFFFAOYSA-N 377.231 3.417 30 40 GGEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccccc3)n2)o1 223665521 CEUIHZRQQGEJMQ-UHFFFAOYSA-N 380.429 3.193 30 40 GGEB Cc1nn(C(N)=S)c(O)c1[C@@H](c1cccc(Cl)c1Cl)C(C#N)C#N 95011305 MXKSEOIYHZCNOO-GFCCVEGCSA-N 380.260 3.091 30 40 GGEB N#Cc1ccc(OC2CCC(NS(=O)(=O)/C=C/c3ccccc3)CC2)nc1 92269601 UAJTUNDIDFPFCP-OUKQBFOZSA-N 383.473 3.234 30 40 GGEB C=CCN1C(=O)N[C@@H](c2ccc(F)cc2F)C(C(=O)Nc2cc(C)on2)=C1C 10354342 ZMCZUNPRIGSNME-KRWDZBQOSA-N 388.374 3.426 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1 2487000 PPEDAEWXYHFVLL-SFHVURJKSA-N 386.473 3.465 30 40 GGEB N#C[C@@H](C(=O)NC1CCCC1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 101009735 ZQEPVEFIRRZSKS-CYBMUJFWSA-N 392.337 3.137 30 40 GGEB Cc1sc2nc(SCC(=O)Nc3sccc3C#N)n(C)c(=O)c2c1C 21471225 NGTCYTIVLAHFSS-UHFFFAOYSA-N 390.515 3.276 30 40 GGEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 12438246 KIQOFEKCWWPQFM-NPAMKKHASA-N 376.459 3.269 30 40 GGEB Cc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1470345 HMYFLMAKQJRKMF-LJQANCHMSA-N 391.427 3.453 30 40 GGEB C[C@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1sccc1C#N 27825522 OYKIRVDZUKMTSU-ZDUSSCGKSA-N 397.456 3.321 30 40 GGEB CC(=O)Nc1ccc(/C(C)=N/OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 14397392 SUKSOVBHKWCNBB-CIAFOILYSA-N 385.376 3.361 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515427 JTSSQVGGACJVGT-NLWGTHIKSA-N 387.432 3.147 30 40 GGEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Br)c([N+](=O)[O-])c1 8109162 NPHRPLHYLSDGKA-GIJQJNRQSA-N 387.193 3.258 30 40 GGEB Cn1nc(C(F)(F)F)c(C(=O)O/N=C(\N)c2ccc(Cl)cc2)c1Cl 4285048 CUGFULOBMKVWIZ-UHFFFAOYSA-N 381.141 3.223 30 40 GGEB CN1C(=O)[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N\c1ccccc1 4474756 FPYSQNSKRMYBBG-IJYGLTAASA-N 384.417 3.185 30 40 GGEB CC(C)(C)c1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 27515418 CLUWXTBOKBRGGJ-OBGWFSINSA-N 382.533 3.486 30 40 GGEB CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)Nc1ccc(F)c(Cl)c1 65500750 AASFDDUELOMDCF-FRKPEAEDSA-N 384.860 3.450 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccco1 5564225 MZRMPLCVGLVBQI-GHNGSUTGSA-N 386.423 3.182 30 40 GGEB C=CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CC)CCO1 72389272 OGBSXFHRZQFBPS-QFIPXVFZSA-N 398.528 3.267 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1cc(C)ccc1C 35290426 GDSWSRIBWYKAAR-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB Cc1nc(N2CCOC[C@H]2c2ncnn2-c2ccccc2)c(Cl)cc1C#N 575797837 DQCASWUSJJQDQK-KRWDZBQOSA-N 380.839 3.074 30 40 GGEB C=C1C(=O)[C@H]2C[C@H]1CCC(=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]2O 575432095 DSFGIPHZGPPBDO-AEKGVMIASA-N 376.493 3.236 30 40 GGEB COc1ccc(OC)c(C(=O)OCC(=O)Nc2ccccc2SCC#N)c1 5252805 XAVVXIQCKSUMDJ-UHFFFAOYSA-N 386.429 3.115 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 17368406 AAISLNXHWSTSQD-UHFFFAOYSA-N 397.500 3.101 30 40 GGEB Cc1ccc2c(c1)/C(=N/c1ccc(S(=O)(=O)c3ccc(N)cc3)cc1)C(=O)N2 5394492 YZFYGJKCXHEJDN-UHFFFAOYSA-N 391.452 3.483 30 40 GGEB CCc1cccc(C)c1NC(=O)Cn1c(-c2ccc(F)cc2)ncc(C#N)c1=O 49006194 YQBJIISMWFKIOL-UHFFFAOYSA-N 390.418 3.431 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(COC[C@@H]3CCCO3)o2)c([N+](=O)[O-])c1 20436510 JSTCLLOKRDGYFY-RMNBPEERSA-N 390.352 3.238 30 40 GGEB CCn1cc([C@@H]2C(C(=O)c3cccs3)=C(C(F)(F)F)Nc3ncnn32)cn1 2806497 OKLYPTDYLNIFRT-GFCCVEGCSA-N 394.382 3.270 30 40 GGEB N#Cc1c(CCCNC(=O)CCc2ccsc2)nn(-c2ccc(F)cc2)c1N 25162122 ZLZUMJFJRWYETF-UHFFFAOYSA-N 397.479 3.208 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2cccc([N+](=O)[O-])c2)cc1 12650804 ILZCXRICCIXVAZ-ANYDIMBLSA-N 384.417 3.069 30 40 GGEB COc1cc(/C=N/O)c(Br)cc1OCC(=O)Nc1ccccc1 13913917 KZLIZPADISFHFU-GIJQJNRQSA-N 379.210 3.283 30 40 GGEB C=CCNC(=O)CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 409062909 CSOYQEKNVFSVRU-UHFFFAOYSA-N 392.908 3.142 30 40 GGEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)cc1 4691510 YFWOQSMXOPKNMH-CXUHLZMHSA-N 381.388 3.372 30 40 GGEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(O)cc1 66091527 RNEOWSBPZOVWEC-KRWDZBQOSA-N 387.457 3.459 30 40 GGEB C=CCn1c(SCC(=O)N2CCc3ccccc32)nc2ccsc2c1=O 9691180 CPZBHZIXHDLSCP-UHFFFAOYSA-N 383.498 3.325 30 40 GGEB O=[N+]([O-])c1cc2c(cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F)OCO2 409037275 MOVZSLWTZTWKAA-QBROUFQSSA-N 377.172 3.037 30 40 GGEB N#Cc1c(N)nc2sc(C(=O)c3ccc4c(c3)OCCO4)c(N)c2c1C1CC1 13577370 TXVVEMIIVJKWJG-UHFFFAOYSA-N 392.440 3.212 30 40 GGEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)[C@H]2c2ccc(C)cc2)cc1 102798293 NBILZSIMJJEMAX-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB N#C[C@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc2ccccc2[nH]1 41497742 IXRNLSSBWVQILL-GFCCVEGCSA-N 375.356 3.049 30 40 GGEB COc1cc(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1OC 409073431 YTTFUISNJYSQTO-CAOOACKPSA-N 381.186 3.216 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1Cc1ccc(C)cc1 32503306 JYEJBIWTOWZXEH-ZNWLFMFGSA-N 394.562 3.028 30 40 GGEB CC(=O)N1C(=O)/C(=N\c2cccc(C(=O)O)c2)c2cc(Br)ccc21 5378179 JCXSXNBMLTXODX-CYVLTUHYSA-N 387.189 3.161 30 40 GGEB COc1cccc(C(=O)COC(=O)CCSc2nc(C)cc(C)c2C#N)c1 13579581 KNIIGTCREMHODB-UHFFFAOYSA-N 384.457 3.487 30 40 GGEB Cc1oc(-c2nc(C#N)c(NC3CC3)o2)cc1S(=O)(=O)N1CCCCCC1 40268724 QOUHJEKVMUTVDB-UHFFFAOYSA-N 390.465 3.254 30 40 GGEB C=C(C)Cn1nc(SC)n2c(=O)c3c4c(sc3nc12)COC(C)(C)C4 40286507 AOEGXDDGOLRURY-UHFFFAOYSA-N 376.507 3.255 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1c[nH]c2ccccc12 5937659 ZFKHMPULTUCJRL-UHFFFAOYSA-N 392.371 3.062 30 40 GGEB C/N=C1\S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C(=O)N1C 9323310 XAPVZFQYNJUZNT-MSYUKONTSA-N 381.457 3.236 30 40 GGEB C[C@]12CN(C(=O)c3ccc(I)o3)[C@]3(C#N)C[C@H]1CC[C@@]23C 100920915 NZDNVISCKUUNQK-BWAGICSOSA-N 396.228 3.429 30 40 GGEB CCn1c(=O)c(/C=N/NC(=S)Nc2ccc(OC)cc2)c(O)c2ccccc21 100192962 NXMBCGHCJCSMFN-CIAFOILYSA-N 396.472 3.056 30 40 GGEB CCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 226071928 IDQUGFGTHOFNNV-UHFFFAOYSA-N 391.880 3.055 30 40 GGEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 224816725 ZPPREGPYSXFNDA-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB N/C(=N\OC(=O)c1cnc(Cl)nc1C(F)(F)F)c1ccc(Cl)cc1 4280927 GAQONHJMOIQCJD-UHFFFAOYSA-N 379.125 3.280 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccncc2)cc1 102541326 KXHPVBMSCFSQEG-NHFXJNLRSA-N 385.423 3.407 30 40 GGEB C=CCc1cc(/C=N/Cc2ccc(C(=O)O)cc2)cc(OC)c1OCC(=O)O 59678534 KLQIKGTYOTVNKS-WSDLNYQXSA-N 383.400 3.204 30 40 GGEB Cn1c(N2CCOCC2)c(/C=N/OC(=O)c2cccnc2Cl)c2ccccc21 1389830 LWJBOBCDIKRMDV-YDZHTSKRSA-N 398.850 3.254 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1 24980740 GRLDRLIIEGFILT-UHFFFAOYSA-N 379.247 3.114 30 40 GGEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1 1413195 MRAOFNOQOOGCDT-NJGYHNCTSA-N 383.831 3.310 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cccs2)c(S(=O)(=O)N2CCCCC2)c1 59488754 UFCRILWDNCBRLI-SFQUDFHCSA-N 394.478 3.277 30 40 GGEB COc1ccc2c(c1)O/C(=C\c1cccc(OC(=O)N3CCOCC3)c1)C2=O 4478785 UPVVUPXNRBDTME-UNOMPAQXSA-N 381.384 3.142 30 40 GGEB Cc1cc(C)n(CC(=O)Nc2nc(-c3ccccc3)c(C)s2)c(=O)c1C#N 409412279 DXWKWZKBRPGJJM-UHFFFAOYSA-N 378.457 3.407 30 40 GGEB COc1ccc(SCC(=O)Nc2cc(C#N)c(Br)cn2)cc1 95997565 JKWMVVIWMSKNNR-UHFFFAOYSA-N 378.251 3.455 30 40 GGEB O=C1C(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)=CO[C@H]2C=CC=C[C@H]12 17078262 CLYANVQYQSKDFJ-KJJQJCSKSA-N 383.400 3.499 30 40 GGEB C#C[C@](C)(CC)OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12421441 JQDDMPJAZVZFEI-RTBURBONSA-N 384.442 3.007 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)O)cc1 5446294 YJEHRENGAPEQFF-LFVOPCPISA-N 379.412 3.282 30 40 GGEB CCc1cc(C#N)c(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)s1 59829131 IQPIEUSWZKETKY-CYBMUJFWSA-N 399.472 3.191 30 40 GGEB O=C1[C@@H]2[C@@H](C(=NS(=O)(=O)c3ccccc3)[C@@H]3[C@@H]1[C@H]1C=C[C@H]3C1)[C@@H]1C=C[C@H]2C1 104139147 MDJKILPCVPRFTK-JGYNHMQESA-N 379.481 3.276 30 40 GGEB COC(=O)CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608575 HVMMHHBAODAENO-XIKOKIGWSA-N 398.488 3.120 30 40 GGEB N#Cc1cccc(COC(=O)[C@@H]2Cc3ccccc3CN2C(=O)c2ccco2)c1 25059664 TYNZUMKRHBGNAF-FQEVSTJZSA-N 386.407 3.462 30 40 GGEB C/N=C1/S/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)C(=O)N1C 59104733 BRPYYMMUILBATG-WIQPNEMMSA-N 381.457 3.236 30 40 GGEB CCCn1c(=O)/c(=C/c2ccco2)s/c1=C(/C#N)c1nc2ccccc2s1 3314860 VATDDQXDWHTLDN-UUMFAICXSA-N 393.493 3.074 30 40 GGEB O=[N+]([O-])c1cc(/C=N/Nc2nc3ccccc3s2)ccc1N1CCOCC1 4106514 ZVYFADCTBLZECK-XDHOZWIPSA-N 383.433 3.487 30 40 GGEB Cc1ccc(NC(=O)CN(C)C(=O)CSc2nc(C)c(C)c(C)c2C#N)cc1 5172323 UIGUSTXLWWYFSG-UHFFFAOYSA-N 396.516 3.376 30 40 GGEB CN1C(=O)/C(=N\NC(=S)Cc2ccccc2)c2cc(Br)ccc21 408723121 NHPSBRQRFXXJJG-SILNSSARSA-N 388.290 3.289 30 40 GGEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224814441 MXLXRDNJMJPIJR-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(CC#N)cc3)ccc21 226094762 IYKFQLJVZKCSPV-UHFFFAOYSA-N 396.472 3.342 30 40 GGEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)C(C)C)ccc23)CC1 95481248 SHJNNVRWKKSYGE-HXUWFJFHSA-N 398.507 3.082 30 40 GGEB CCCCCCCCn1c(N2C[C@@H](C)C[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 97987813 VHAMZBQDKNQVMG-IYBDPMFKSA-N 389.544 3.266 30 40 GGEB COC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnnn1-c1ccccc1 13658508 VSKSWPNWWLVQMD-XMHGGMMESA-N 388.840 3.006 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)NCc3ccc(C(F)(F)F)cc3)cc2C1=O 8848454 SKAWQZAZXDRKFK-UHFFFAOYSA-N 388.345 3.417 30 40 GGEB C=CC[C@@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 100145010 OKURGHZJDGLSIP-IFQOCWFZSA-N 386.444 3.307 30 40 GGEB N#Cc1cccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 25055479 HIJOJVCJAKGMQK-CYBMUJFWSA-N 395.893 3.065 30 40 GGEB CCOC(=O)c1sc2ncn(/N=C/c3ccccc3Cl)c(=O)c2c1C 3170525 WTAIHXZXVIGRPY-DNTJNYDQSA-N 375.837 3.479 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1Cl 12990460 WLQLKGAKPDSXAZ-UHFFFAOYSA-N 377.853 3.063 30 40 GGEB CN(Cc1ccc(C#N)cc1)C(=O)NC[C@@H]1CCCCN1C(=O)OC(C)(C)C 69245635 CBMGCJRYANXJEU-SFHVURJKSA-N 386.496 3.489 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OCC#N)cc1 408794525 IUZZALMJIUWMBX-IBGZPJMESA-N 386.407 3.330 30 40 GGEB C=CCOc1ccc(Br)cc1/C=C1/SC(NC(C)=O)=NC1=O 32109964 NPVCRLBFQHAHPM-MDWZMJQESA-N 381.251 3.120 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 32421249 MKYKSSDUANEOLL-AWEZNQCLSA-N 397.862 3.247 30 40 GGEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1N1CCCCS1(=O)=O 222566584 QFSOYNBZSIKYOU-UHFFFAOYSA-N 383.473 3.243 30 40 GGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1 223901064 AKWBWMIDDJLFMT-UHFFFAOYSA-N 389.473 3.167 30 40 GGEB CN(C)c1ccc(-c2n[nH]c(=S)n2/N=C/c2ccccc2OCC(=O)O)cc1 5810216 IYPYRCDTDVONRN-RGVLZGJSSA-N 397.460 3.019 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccsc1 4742175 XQRURRVDYROTDP-ZJNRKIDTSA-N 385.441 3.135 30 40 GGEB COC(=O)c1ccc(/C=C2\Oc3cc(OCC(=O)OC(C)C)ccc3C2=O)cc1 12858949 HTKHNJJXUZGPGC-GRSHGNNSSA-N 396.395 3.420 30 40 GGEB biogenic N#Cc1cccc(COc2cccc(NC(=O)c3cccc(-n4cnnn4)c3)c2)c1 32288648 FMOCIOOIMNYGBL-UHFFFAOYSA-N 396.410 3.365 30 40 GGEB COc1ccc(-c2cc(C(F)(F)F)c(C#N)c(SCC(N)=O)n2)cc1OC 662372 PVKGSWZKMHICKY-UHFFFAOYSA-N 397.378 3.234 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccnc1 102541808 NUWYLSBQIAJSIE-WOOAAIBNSA-N 397.475 3.137 30 40 GGEB C[C@@H](NC(=O)c1ccoc1)/C(O)=N/c1nc(-c2ccccc2OC(F)F)n[nH]1 58314230 VXNSKPZSWBGBIO-SECBINFHSA-N 391.334 3.073 30 40 GGEB COC(=O)/C(=N\Nc1ccccc1)Sc1nnc(-c2ccc(OC)cc2)n1C 2201178 UYUMANREZBZZAZ-OQKWZONESA-N 397.460 3.181 30 40 GGEB C=CCN(C(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1)c1ccccc1 408974908 FLKUSPPCKWKEKI-UHFFFAOYSA-N 384.395 3.110 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12878674 GZUUZULNWZQEDN-FUHWJXTLSA-N 377.444 3.203 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1cnc2c(cnn2C(C)C)c1 13012016 MZGHHIAWXNFRLC-UHFFFAOYSA-N 379.468 3.311 30 40 GGEB COc1ccc(/C=N/c2nc3ccccc3n2CCN2CCOCC2)cc1OC 4608037 DDZZCJKQIUANGJ-XQNSMLJCSA-N 394.475 3.136 30 40 GGEB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c(C#N)c1C 5952359 NYEKCYJXBMZRQG-CHWSQXEVSA-N 389.477 3.016 30 40 GGEB C/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1sccc1C 7977466 AKWCQPMPQGLUPH-LXZSTKNOSA-N 384.486 3.330 30 40 GGEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc2ccccc12 408537553 WFCQCUADIIHXDO-YRMAPFEESA-N 375.428 3.425 30 40 GGEB N#Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 32127171 NXHRIQUHNHARDR-UHFFFAOYSA-N 385.470 3.354 30 40 GGEB CC/N=C1\S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1CC 15962381 FYFZWLJPJJVQNI-PKBFHESTSA-N 383.267 3.490 30 40 GGEB COC(=O)c1ccc(/N=C2/S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 100279947 STANNINUXFZXMK-UMIVRTMYSA-N 397.456 3.063 30 40 GGEB C/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1ccccc1F 12601297 LLICFZNTRNCCJG-KSQBHXIKSA-N 382.420 3.099 30 40 GGEB N#Cc1ccc(-c2csc(NC(=O)[C@H]3Cc4ccccc4C(=O)O3)n2)cc1 12977295 GWZVAYBTQKJUEV-QGZVFWFLSA-N 375.409 3.402 30 40 GGEB C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@H](C)C3 3610323 TXFXLOIXQTVHBJ-LBPRGKRZSA-N 389.546 3.163 30 40 GGEB C=CCNC(=S)N/N=C(\C)c1ccc(OC)c(CSc2ncccn2)c1 6312540 SODNIRXMADEVIR-LPYMAVHISA-N 387.534 3.152 30 40 GGEB CC1CCC2(CC1)NC(=O)N(CC(=O)c1cn(CCC#N)c3ccccc13)C2=O 4469304 AEEXDVWVZHWXIP-UHFFFAOYSA-N 392.459 3.238 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@@H]2c1ccccc1F 14944757 IDCLMHRSHQOAAB-JZKQVHKSSA-N 397.402 3.212 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCCN(C)C)cc1 6813191 FQOCGZPWYAWRND-SELCWUDQSA-N 384.501 3.430 30 40 GGEB CCCNC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 20827604 NYSUBPFSEJOFDC-UHFFFAOYSA-N 399.539 3.170 30 40 GGEB CCN(CCC#N)C(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 84774718 NVGLCZSZKKVPID-UHFFFAOYSA-N 385.489 3.196 30 40 GGEB COc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc(Cl)c1OC(C)C 24497014 QNUJBTGCUVVXAZ-FUTAKVPZSA-N 378.808 3.364 30 40 GGEB C=CCSc1nnc(NS(=O)(=O)c2ccc(OC)c(Cl)c2)s1 225387810 JDQWLSBAUFBAGJ-UHFFFAOYSA-N 377.900 3.279 30 40 GGEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224746285 KHPVNEQBWIEHQH-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)cc(Cl)c1 5138672 LHHZZZKKVOOWEN-PDXPXHEVSA-N 393.317 3.005 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 11907287 WENQFXRBZFZFHH-SVQNHAPJSA-N 380.535 3.033 30 40 GGEB O=C(CCCc1cccs1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 36385064 YWWGXLDSMRPUKW-UHFFFAOYSA-N 391.518 3.180 30 40 GGEB COc1ccc(C(=O)/C=C/c2ccccc2OC)c(OC(=O)N2CCOCC2)c1 5023890 AVEHIABRBVXKPG-JXMROGBWSA-N 397.427 3.431 30 40 GGEB Cc1ccc(Nc2nc(CN(C)CCCc3n[nH]c(N)c3C#N)cs2)cc1 6657851 MGJZEKQHTZZFFI-UHFFFAOYSA-N 381.509 3.437 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(NC(C)=O)cc1 224892808 YALRBGDTQSKCQG-UHFFFAOYSA-N 390.461 3.044 30 40 GGEB COc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 20025265 QKICSLINYRLUNT-HXUWFJFHSA-N 394.471 3.225 30 40 GGEB CCOC(=O)[C@H](C#N)C(c1cc(Cl)cc(Cl)c1O)[C@@H](C#N)C(=O)OCC 4714433 FAJBVOHIEOVGDX-VXGBXAGGSA-N 399.230 3.188 30 40 GGEB COC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@@H]1c1cc(Br)ccc1OC 5559160 TZZSEXKHKVJUQQ-KRWDZBQOSA-N 394.265 3.455 30 40 GGEB CCc1ccc(N2C(=O)[C@H](/C=N/c3ccccc3OC)C(=O)NC2=S)cc1 4739284 FBDIBZQJWOZCET-VRCTWVPOSA-N 381.457 3.024 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)cc1 408811567 NYCJQNAOXFZYQP-XMHGGMMESA-N 392.411 3.317 30 40 GGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 223727059 SZQPOISKBRUHMQ-UHFFFAOYSA-N 376.434 3.289 30 40 GGEB Cn1cc(CN2CCC3(CC2)CN(c2ccc(C#N)cn2)Cc2ccccc23)cn1 96242584 OLKLRNVPNMRXQN-UHFFFAOYSA-N 398.514 3.241 30 40 GGEB Cc1csc([C@H](C#N)C(=O)COC(=O)Cc2ccc(Br)cc2)n1 7783820 YELQWUWZHAPCLN-CYBMUJFWSA-N 393.262 3.176 30 40 GGEB CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1 20262871 MZEPEVPXVZUAPS-IBGZPJMESA-N 398.459 3.208 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Cl)c1 20441299 UMMGRQBLSCZITP-SFHVURJKSA-N 399.878 3.265 30 40 GGEB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=N/Nc1cccc(CO)c1 100005523 FHSHGSQZJRKTHG-PTGBLXJZSA-N 391.456 3.493 30 40 GGEB CCN1CCN(Cc2ccccc2CNC(=O)Nc2cccc(C#N)c2)CC1 40145517 IHGVBZLYWYVGLT-UHFFFAOYSA-N 377.492 3.017 30 40 GGEB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCC#N)n3C)cc2)cc1 4113218 ORPXEQOZVCQUKK-UHFFFAOYSA-N 399.501 3.207 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1OC 6238838 COESFOHOKZRGDZ-LJQANCHMSA-N 381.428 3.310 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccccc2F)cc1 102539942 IEQVTOSTDKLUOX-WOOAAIBNSA-N 397.402 3.421 30 40 GGEB N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccccc1C(F)(F)F 7698917 XOFUFXPVZMRDPH-UHFFFAOYSA-N 378.306 3.138 30 40 GGEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl 5515994 VXIILHSVWHOTKA-RWDYHCEOSA-N 393.317 3.005 30 40 GGEB CC[C@H]1CCc2sc(-c3nnc(SCC(=O)NCCC#N)n3C)cc2C1 5776256 HKIDCWZYFQHTQH-LBPRGKRZSA-N 389.550 3.180 30 40 GGEB COc1ccc(/C=C2/CN(C)C/C(=C/c3ccc(OC)c(O)c3)C2=O)cc1O 96399845 CASHWSXJEGQAFR-JCDHFMOQSA-N 381.428 3.097 30 40 GGEB C=CCSCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 5879160 ZNZBKCUBECDVJO-UHFFFAOYSA-N 390.530 3.161 30 40 GGEB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC#N)c3ccccc23)C1=O 6422574 CCXLGEMWVNSRFC-SFQUDFHCSA-N 384.395 3.140 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)CSc2nnnn2-c2ccccc2)cc1 2617679 UXQCNDVENGVHQK-UHFFFAOYSA-N 378.461 3.010 30 40 GGEB CC(C)n1ncc2c1NC(=O)[C@@H]([N+](=O)[O-])[C@@H]2c1ccc(F)c(Br)c1 100254858 YCYTWLGPHASAOL-OLZOCXBDSA-N 397.204 3.095 30 40 GGEB N#Cc1cnn(-c2ccc3ccccc3n2)c1NS(=O)(=O)c1cccs1 12239299 XXPGDRIXORTMSY-UHFFFAOYSA-N 381.442 3.154 30 40 GGEB C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)C2CC2)c1 5889124 GZMTYQRRUGBOAZ-MTJSOVHGSA-N 391.880 3.391 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218370949 JTSSQVGGACJVGT-HBFSDRIKSA-N 387.432 3.147 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)C[C@@H]3CCCCN3C)CCCCC2)cn1 12219575 QAPBDVRMFDBSSM-FQEVSTJZSA-N 396.535 3.085 30 40 GGEB C[C@@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1CCOCC1 11460707 XRBVSNNIACZRES-OAHLLOKOSA-N 396.468 3.114 30 40 GGEB COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)cc(OC)c1OC 102836053 QWDAWPDPZMZBCW-GOSISDBHSA-N 380.404 3.452 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 25085382 ZAXFOPMAEKFIFY-UHFFFAOYSA-N 398.470 3.217 30 40 GGEB COc1cc(OC)c(OC)cc1/C=N/NC(=S)Nc1ccccc1OC 3361469 GBCIBGXARKWPMK-YBFXNURJSA-N 375.450 3.042 30 40 GGEB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc(F)ccc1F)c1nc(C#N)c(C#N)nc12 4727516 IXNINCSFCLVGNR-LEWJYISDSA-N 393.397 3.466 30 40 GGEB COc1ccc(/C=N/Nc2nnc(C)c(N/N=C/c3ccc(OC)cc3)n2)cc1 27579489 JCSDCOYFMQGAGV-ADYPVIEZSA-N 391.435 3.089 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1cccs1 104191761 XXIPXEZOCUMRRO-GHNGSUTGSA-N 393.468 3.457 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1 102517772 POWLUAGCJUIIQT-LFVOPCPISA-N 382.435 3.117 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccco1 5445162 FIYXPFFTAUULMA-HVESIFNPSA-N 388.851 3.306 30 40 GGEB O=c1c2c3c(sc2nc(SCC#CCO)n1-c1ccccc1)CCCC3 8715423 KMTHFZSVKLLLBI-UHFFFAOYSA-N 382.510 3.414 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 15919951 KAJHJDPCGBHYNO-INIZCTEOSA-N 375.783 3.050 30 40 GGEB N#Cc1ccc(OC/C(O)=N/S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 48514454 OFXPWPWHADEVTJ-UHFFFAOYSA-N 384.335 3.301 30 40 GGEB C[C@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)n1cnc2ccccc21 593356589 XPJDOPYPGGAWFB-QGZVFWFLSA-N 387.487 3.250 30 40 GGEB N#CCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 15818195 CQLOEZSWUNNKJX-UHFFFAOYSA-N 397.500 3.108 30 40 GGEB COC(=O)Cn1/c(=N/N=C(/C)c2ccc([N+](=O)[O-])cc2)sc2ccccc21 17175164 KBPMMRMRFPTHLK-QJQZTKPASA-N 384.417 3.109 30 40 GGEB O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccc(F)cc1F 2631067 ITOLAGMUIQCJFD-MRXNPFEDSA-N 389.427 3.124 30 40 GGEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1 100974458 NXYBGHIJYXTCCA-YHQKBTMFSA-N 378.500 3.429 30 40 GGEB C=CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 6607119 IQFYHBWVRZPFGQ-UHFFFAOYSA-N 378.538 3.237 30 40 GGEB C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CC(C)(C)OC3 866582 PBUFPSBCYXFXKN-UHFFFAOYSA-N 394.518 3.151 30 40 GGEB C=CCOc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2cccnc2OC)C3)cc1 100172238 XDVTXTLWWWSEKX-ROUUACIJSA-N 394.471 3.310 30 40 GGEB CCOC(=O)c1nnn(/N=C/c2ccccc2C)c1OCc1ccc(F)cc1 1418405 TYBDUSKIOHFINY-WSDLNYQXSA-N 382.395 3.364 30 40 GGEB COc1cc(Cl)ccc1/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58153869 ZFWOQMBJBYIZGE-UHFFFAOYSA-N 375.233 3.232 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)NCC[C@@H](CC)N2CCCC2=O)cc1OC 58341633 UWMCKQDXOXSAAQ-SXAWMYDMSA-N 386.492 3.181 30 40 GGEB N#Cc1cc(NC(=O)C(=O)N[C@H](c2ccccc2)c2ccccn2)ccc1Cl 48365168 BBKRYQVUIHNTPG-LJQANCHMSA-N 390.830 3.451 30 40 GGEB COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc(OC)c(O)c1 49546021 NWHBXDCFTRFFSN-SFHVURJKSA-N 397.431 3.042 30 40 GGEB C=CCn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1C1CCCCC1 6498516 RKJCQLCNNNUEAS-UHFFFAOYSA-N 391.541 3.372 30 40 GGEB Cc1ccc(-n2c(C)cc(/C=N/Nc3ncnc(N)c3[N+](=O)[O-])c2C)c(C)c1 5447075 ZJIBNDOSRCLXRV-NUGSKGIGSA-N 379.424 3.437 30 40 GGEB O=C(/C=C/Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(F)cc1 15856591 PFFUMLZOBAAUKO-JLHYYAGUSA-N 398.419 3.225 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3C(=O)Nc2ccccc2)cc1 9375034 PTOZSOMXBLKLOY-MAUKXSAKSA-N 390.439 3.171 30 40 GGEB C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 97699043 WZLAWYAXYNCFPX-QFBILLFUSA-N 391.471 3.151 30 40 GGEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1 408951003 HFUXIQOWOYLSEA-GHRIWEEISA-N 399.472 3.407 30 40 GGEB CCNC(=S)N/N=C/c1cc(Br)c(O[C@@H](C)CC)c(OC)c1 33654493 PJYLPAVMNYZXPF-NTOSSWPYSA-N 388.331 3.453 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218341593 OCMVOPBDXUPHRP-ZIFCJYIRSA-N 389.860 3.353 30 40 GGEB Cc1cc(OCC(=O)Nc2ccc(C#N)cc2)nc(N2CCc3ccccc3C2)n1 48986155 AHJURFXJMVXWKQ-UHFFFAOYSA-N 399.454 3.237 30 40 GGEB COc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/N=C(\C)c3ccccc3)S2)cc1 5006780 KODOFRRINHZWSV-YXUUZYBBSA-N 396.472 3.036 30 40 GGEB N#C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 14095112 SHVXXAJTHHDKCW-SFHVURJKSA-N 384.277 3.472 30 40 GGEB COc1cc(Br)c(CC(=O)Oc2ccc(C#N)cc2)cc1OC 17335806 HIOMTQTWAIPGGI-UHFFFAOYSA-N 376.206 3.486 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccco1 20188631 TUMDRVKSAXRRKN-LJQANCHMSA-N 398.459 3.208 30 40 GGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2cc(Br)ccc21 783822 VEVPQYNODQMPCH-LJQANCHMSA-N 386.245 3.442 30 40 GGEB Cc1nc(SCC(=O)N(C)C[C@@H]2COc3ccccc3O2)c(C#N)c(C)c1C 12533577 QLUSJMRLRMJWJC-MRXNPFEDSA-N 397.500 3.269 30 40 GGEB C=CCOc1ccc(/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 27022031 HPFOCCVKVHCNBU-GIYAWHNBSA-N 393.493 3.495 30 40 GGEB CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(/N=C/c3ccccc3)CC(=O)N21 2093511 CDICYVBNWWGXGO-BBMHEYIBSA-N 386.455 3.033 30 40 GGEB biogenic N#CC1(NC(=O)CNc2cc(Cl)ccc2OC[C@H]2CCCO2)CCCC1 58277853 GYWIGNHDGIPUDL-OAHLLOKOSA-N 377.872 3.262 30 40 GGEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)cc(Cl)c1 5138707 LHHZZZKKVOOWEN-AMHNQIPVSA-N 393.317 3.005 30 40 GGEB C=CCn1c(S[C@H](CC)C(=O)Nc2nnc(C)s2)nnc1-c1ccco1 4736180 SYOXXQUQZTZIHN-GFCCVEGCSA-N 390.494 3.393 30 40 GGEB C=CCN(CCc1ccccc1)C(=O)Nc1cc(C(N)=O)ccc1CN(C)C 72309734 WNFHDKDOHHBRBA-UHFFFAOYSA-N 380.492 3.110 30 40 GGEB C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)CC[C@@H]1N1CCN(C)CC1 579946181 BUCDTWRTFPLORY-BEFAXECRSA-N 383.927 3.222 30 40 GGEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1ccccn1)C2 585107430 VQLDKBXWLYHNCF-QHCPKHFHSA-N 385.471 3.405 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(OC)c2)C3=O)CC1 22575549 RUSPUDSULMOQRS-STZFKDTASA-N 394.471 3.155 30 40 GGEB C=CCn1c(Sc2c3c(nc4ncnn24)CCC3)nnc1-c1ccccc1 1033706 GHOVHGORQCVHFO-UHFFFAOYSA-N 375.461 3.209 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)CCn1nnc2ccccc2c1=O 32206027 UIBSJIXFSRBITE-UHFFFAOYSA-N 388.880 3.111 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(OC)cc1 102804951 RNZQFEGFCMCVRQ-SELCWUDQSA-N 385.416 3.055 30 40 GGEB COc1ccc(N2CCN(c3oc(COc4ccccc4)nc3C#N)CC2)cc1 794756 DMKIBEKULIUQPN-UHFFFAOYSA-N 390.443 3.460 30 40 GGEB CC(C)[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 15520217 FZDWMDIKWKLEMG-HXUWFJFHSA-N 386.473 3.395 30 40 GGEB CN(C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C1(C#N)CCC1 65540851 NNSVKOZUNBRMGC-ZDUSSCGKSA-N 383.395 3.413 30 40 GGEB N#Cc1cc2c(nc1SC[C@H](O)C[S@@](=O)Cc1ccccc1)CCCC2 5427623 JPSZIRJWBPXYBY-HFJWLAOPSA-N 386.542 3.234 30 40 GGEB N#Cc1cccnc1N1CCC(CNC(=O)c2nc3ccccc3s2)CC1 70929194 GKENRQUIXXLIKK-UHFFFAOYSA-N 377.473 3.209 30 40 GGEB COc1cccc(-n2c(SCC(=O)NO)nnc2-c2c[nH]c3ccccc23)c1 4270230 UOVKUHGYTHTZHL-UHFFFAOYSA-N 395.444 3.022 30 40 GGEB C=CCOc1c(Br)cc(/C=C2\NC(=S)N(C)C2=O)cc1OCC 2168178 CGEAVNONBVPCBX-WQLSENKSSA-N 397.294 3.100 30 40 GGEB Cc1ccc2c(c1)S[C@H](C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2 12913527 XWUUQZVJSDYWSI-NRFANRHFSA-N 377.513 3.228 30 40 GGEB N#Cc1ccccc1CS(=O)(=O)/N=C(\O)c1ccc(OCC(F)(F)F)cc1 48506675 TZYPQKXWSTUEOK-UHFFFAOYSA-N 398.362 3.334 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 409045189 FVWRDXSNXKXGLX-IXPZEXRESA-N 396.446 3.239 30 40 GGEB C=CCOc1cccc(NC(=O)c2ccc(N(CC=C)S(C)(=O)=O)cc2)c1 408616562 AJZQHUGZLUTYCY-UHFFFAOYSA-N 386.473 3.456 30 40 GGEB Cc1cccc(C)c1NC(=O)CNC(=O)CSc1nc(C)c(C)c(C)c1C#N 8707623 XBAARRJJDMDLFP-UHFFFAOYSA-N 396.516 3.342 30 40 GGEB O=C(O)c1cc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)ccc1Cl 409348225 RPYYODLETDRFFM-FMQZQXMHSA-N 380.834 3.492 30 40 GGEB N#Cc1nn(-c2ccccc2C(F)(F)F)nc1N1CCN(c2ccccc2)CC1 256049209 YVFHBPHDBXXCJX-UHFFFAOYSA-N 398.392 3.484 30 40 GGEB CC(C)Sc1ccc(CC(=O)NCC#CCOc2ccccc2C(N)=O)cc1 90743858 AWJATERVUGKVFE-UHFFFAOYSA-N 396.512 3.027 30 40 GGEB Cc1cc(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)c(C)n1C1CC1 3425215 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N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)o1 100302110 NDWSIEKUAPQMGA-XFSSVTLISA-N 383.407 3.205 30 40 GGEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@@H](c4ccccc4Cl)C3)C2=O)cc1 103490576 MWIDJBZGMQHHQY-WOJBJXKFSA-N 381.863 3.390 30 40 GGEB Cn1nnc2cc(C(=O)[C@@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 103798989 KHSHYFOFTBHHGL-LLVKDONJSA-N 388.214 3.236 30 40 GGEB COc1cc2[nH]c3c(=O)n(/N=C/c4ccccc4Cl)cnc3c2cc1OC 2368344 OXESOEFVNDHBLS-LSFURLLWSA-N 382.807 3.431 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 6540643 OJMCXWSFGMRGHQ-UHFFFAOYSA-N 376.315 3.296 30 40 GGEB C=CCOc1ccc(/C=N/n2c(O)nc3c([nH]c4ccc(F)cc43)c2=O)cc1 8769048 YEMQQDDLMWAJEO-SSDVNMTOSA-N 378.363 3.170 30 40 GGEB C=CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)C)c1 9721669 DFJOQCOSWPIEAZ-UHFFFAOYSA-N 376.503 3.467 30 40 GGEB CC[C@@H](C)Oc1cc(N(C)C)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409404440 CTMGYOTYXFLLFE-DYFWIGMVSA-N 381.476 3.071 30 40 GGEB C#CCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O 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C=CCNC(=O)Nc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 58598106 KLEZZIQXYSUNPM-UHFFFAOYSA-N 392.459 3.369 30 40 GGEB C[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)N(CCC#N)c1ccccc1 39501901 NOGPOYWBAQCEDA-KRWDZBQOSA-N 392.455 3.433 30 40 GGEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccccc2OCC)C1=O 409082372 JAZJWOXSDDENEN-KAMYIIQDSA-N 375.446 3.043 30 40 GGEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1OC 16734310 PXYOBZQJNATTQH-KRWDZBQOSA-N 376.478 3.004 30 40 GGEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 32503433 APFARXWWTBHVKD-RGEMVIMISA-N 380.535 3.212 30 40 GGEB C=CCNC(=O)c1c(N)n(/N=C/c2ccc(C)cc2)c2nc3ccccc3nc12 2195203 HYAHRMDPLRSHTO-DHRITJCHSA-N 384.443 3.273 30 40 GGEB CC1=CC(=O)C(N[N+]#N)=C(C)/C1=N\C(C)=N/S(=O)(=O)c1ccc(Cl)cc1 12139889 VUSUXPAHXVGNCE-YSRMSLORSA-N 392.848 3.049 30 40 GGEB Ic1ccc(/C=N/Nc2nncc(-c3ccccc3)n2)o1 4587305 PARJJVNSVPEDEI-LZYBPNLTSA-N 391.172 3.182 30 40 GGEB O=C(CN1CCCC1=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133294 QXUVRVLTSPLQKC-UHFFFAOYSA-N 375.472 3.028 30 40 GGEB C=CCS(=O)(=O)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@@H]2CC[C@@H]1C2 100112706 WGEQXZNEIQPTCQ-XNRPHZJLSA-N 375.412 3.453 30 40 GGEB N#CCCN(C(=O)COC(=O)c1cc2ccccc2oc1=O)c1ccc(F)cc1 2636621 PYEIBXGTKCKCQW-UHFFFAOYSA-N 394.358 3.036 30 40 GGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2cccc(NC(=O)c3ccc(C)cc3)c2)C(=O)O1 103337882 FBZAMKZCMVWLSZ-MAIVGLDJSA-N 389.407 3.476 30 40 GGEB CN(C(=O)CN1CCN(Cc2ccc(Cl)s2)CC1)C1(C#N)CCCCC1 22374038 NYYUTWIMCIOQIX-UHFFFAOYSA-N 394.972 3.204 30 40 GGEB N#CCSc1ccccc1NC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1 23186388 XLXYSPGHVGBKMJ-SFHVURJKSA-N 385.464 3.453 30 40 GGEB O=C(NCC#Cc1ccccc1)NCc1ccc(C(=O)N2CCCCC2)cc1 12553136 HKRMZUFSDPKUJU-UHFFFAOYSA-N 375.472 3.164 30 40 GGEB N#Cc1ccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12754568 XWVUSDYQICMBQO-LJQANCHMSA-N 377.444 3.495 30 40 GGEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc3C2)n(C[C@H]2CCCO2)c1C 36384995 KFWWLLWYTBNYIA-HXUWFJFHSA-N 392.503 3.152 30 40 GGEB O=C(NCc1ccc(N2CCOCC2)nc1)c1ccc(C#Cc2ccccc2)cc1 8938848 MEJGDBCBZCROEX-UHFFFAOYSA-N 397.478 3.248 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 408607664 NECKASWTZADVSA-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB C=CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=O)N(c2ccccc2F)C1=O 408866238 GGBWACWCQUJFRT-PTNGSMBKSA-N 396.374 3.066 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@H](C)C[C@@H](C)C2)n1 225924198 QQABZODLWKMQHZ-HZPDHXFCSA-N 388.585 3.422 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602917474 DCWFJQCBWNSOSB-JOCQJMSRSA-N 381.879 3.342 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc(I)ccc2O)cc1 16427896 HERJICJLCGEVBR-OVCLIPMQSA-N 383.145 3.351 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3oc(C)nc3C)CCCCC2)cn1 12144134 UTBNASVTNDYHOE-UHFFFAOYSA-N 380.448 3.129 30 40 GGEB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2SCCC#N)cc1 4176917 WPORFNSPYGYBAJ-UHFFFAOYSA-N 389.502 3.195 30 40 GGEB COc1ccc(Cn2c(C)nc([N+](=O)[O-])c2SCCC#N)cc1[N+](=O)[O-] 8397769 UPFKFKSSGOXYDM-UHFFFAOYSA-N 377.382 3.071 30 40 GGEB N#Cc1cccc(C(=O)Nc2ccccc2Cc2nc(-c3cnccn3)no2)c1 217489330 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CC(C)=C1Oc2c(ccc(O)c2CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 218014578 DTCXQLQILFRBER-LSDHHAIUSA-N 392.455 3.042 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811139 XSKVGGXIXGSOPR-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1cc(C(F)(F)F)ccc1Cl 97323826 YTETUIMRRFCEBB-YDZHTSKRSA-N 381.745 3.446 30 40 GGEB COC(=O)/N=C(\N=C(/O)OC)Nc1ccc(Oc2ccccc2)cc1NC=O 16953430 UGPNCGUBNMKORD-UHFFFAOYSA-N 386.364 3.142 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2cccc(F)c2)cc1OC 902847 DEMGIOZMERETFO-FQEVSTJZSA-N 399.418 3.370 30 40 GGEB N#CCCN(C(=O)CSc1ncn(-c2ccccc2)n1)c1ccc(F)cc1 11475925 GOLRVNZAWJMQHL-UHFFFAOYSA-N 381.436 3.445 30 40 GGEB CCc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)cc1 22934511 NIWMWCONGMGMDY-STZFKDTASA-N 378.472 3.318 30 40 GGEB CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1F 1242995 CVOIFXLFJHGHBZ-OAHLLOKOSA-N 391.196 3.472 30 40 GGEB N#Cc1c(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)sc2c1CCCC2 35713575 WANAGRQJUXKUAC-UHFFFAOYSA-N 398.507 3.398 30 40 GGEB C=CCNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 12691398 QBOCRQVRYWECQB-UHFFFAOYSA-N 386.408 3.467 30 40 GGEB COc1ccc(N2C[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)cc1OC 12913794 JOMJEGGXDMVPRY-ZDUSSCGKSA-N 399.472 3.245 30 40 GGEB CCN1C(=O)/C(=C/c2ccc(OCC(N)=O)cc2)SC1=Nc1ccc(F)cc1 408964804 SKGVYKBKYNXTML-BPHBXOPHSA-N 399.447 3.314 30 40 GGEB CCc1ccc(C[C@@H]2SC(N/N=C/c3ccc([N+](=O)[O-])cc3)=NC2=O)cc1 6168762 AZJUAASYOKCKHR-RONKMWSCSA-N 382.445 3.321 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 6653690 APCZSSHPRPHIFQ-CQSZACIVSA-N 379.416 3.100 30 40 GGEB C=C(C)CNC(=S)NNc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 8739290 GZGMATYAZZSYDH-UHFFFAOYSA-N 395.532 3.172 30 40 GGEB CCOC(=O)CCCNc1ccc(C(=O)Nc2cccc(C#N)c2)cc1[N+](=O)[O-] 33014501 VMEYIJAWNRBYEZ-UHFFFAOYSA-N 396.403 3.474 30 40 GGEB C=CCN(Cc1ccc(C(=O)N2CCCC2)cc1)S(=O)(=O)c1ccccc1 224468123 AJLXFVDEYGAVRQ-UHFFFAOYSA-N 384.501 3.300 30 40 GGEB CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 226051998 XJIJKNFJZMGSIT-UHFFFAOYSA-N 385.489 3.011 30 40 GGEB COc1ccc(C(=O)[C@H](CCC(=O)/C=C/c2ccccc2)S(C)(=O)=O)cc1 1582517 PCXUKZBEDIBADR-ZBWUASRJSA-N 386.469 3.354 30 40 GGEB CN1C/C(=C/c2ccc(C(=O)O)cc2)C(=O)/C(=C/c2ccc(C(=O)O)cc2)C1 1616596 XGQLCAXJLKEWEU-OMYAATJGSA-N 377.396 3.065 30 40 GGEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1 12421008 WLRZXBJEWOKTAR-UHFFFAOYSA-N 396.472 3.118 30 40 GGEB CCNC(=S)N/N=C/c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 6954105 LSBFOFWGPCXYCP-RGVLZGJSSA-N 388.449 3.000 30 40 GGEB C=CCN(CC(=O)Nc1ccc(OCC)cc1)S(=O)(=O)c1ccccc1F 3334902 LGGDOQXOXUGIDV-UHFFFAOYSA-N 392.452 3.040 30 40 GGEB COc1ccc(CCN/C(N)=N/C(=O)Nc2ccc(Cl)cc2)cc1OC 49590713 LPAWLCCKOWRACK-UHFFFAOYSA-N 376.844 3.036 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(Cl)cc1 6787075 UXPILYFMRSAUEL-GROYHEBESA-N 388.851 3.306 30 40 GGEB N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)c1 98212853 NYMXREMGPHWKSJ-UHFFFAOYSA-N 389.434 3.486 30 40 GGEB C=CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(CC=C)C2=O)cc1Cl 408901660 ADDFNCNXXVRFMR-YRNVUSSQSA-N 397.283 3.371 30 40 GGEB COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1[N+](=O)[O-] 408625787 FPLUSNYLLCINND-UHFFFAOYSA-N 390.446 3.280 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 35289516 CUABJFRNIVMLHH-UHFFFAOYSA-N 385.880 3.377 30 40 GGEB N#CCCNC(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037451 BALGWPBUXRGWHF-UHFFFAOYSA-N 384.443 3.429 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(O)cc3)C(=O)[C@H]12 59484512 ASNXJWKMSBJPMJ-NFJKTXFASA-N 395.414 3.142 30 40 GGEB biogenic Cc1ccc(C(=O)OC[C@@H]2O[C@@H](C#N)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 5814246 CNZCFLNRRCOAAM-AQNXPRMDSA-N 379.412 3.367 30 40 GGEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCC(=O)O 5511675 GANOYTKYYNESKL-GZTJUZNOSA-N 398.440 3.440 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)NCc3nc4ccccc4s3)CC2)nc1 40032359 BNTRLBQPBVUVJL-UHFFFAOYSA-N 377.473 3.096 30 40 GGEB C=CCSc1nnc2n1-c1sc3c(c1-c1nc(C)nn1-2)CC(C)(C)OC3 2402557 QECZNTJXFJWKBK-UHFFFAOYSA-N 386.506 3.328 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2ncccc2c1=O 31615137 PGXZPCAOIKKYPD-UHFFFAOYSA-N 386.864 3.362 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@H]2c2cccc(F)c2)cc1OC 902851 DEMGIOZMERETFO-HXUWFJFHSA-N 399.418 3.370 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)cc1 102859969 WVGRORMZPRSHOQ-LFVOPCPISA-N 381.428 3.153 30 40 GGEB N/C(=N/OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1cccc(C(F)(F)F)c1 54181914 BGGIKYSDVOUCGT-UHFFFAOYSA-N 397.309 3.317 30 40 GGEB N#Cc1c(CCCNC(=O)c2ccc3ncccc3c2)nn(-c2ccccc2)c1N 58023005 YGAGGXVHAMRCEX-UHFFFAOYSA-N 396.454 3.237 30 40 GGEB O=C(/C=N/OCC(=O)NCc1cccs1)Nc1cccc(C(F)(F)F)c1 3368574 FGVSICKIVGGBKY-ZVBGSRNCSA-N 385.367 3.024 30 40 GGEB C[C@H](Oc1ccccc1)/C(O)=N/c1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 2333012 IXPMJODXFQTJDI-BBRMVZONSA-N 377.404 3.265 30 40 GGEB O=C1/C(=C\c2ccc(O)cc2)N(Cc2ccncc2)S(=O)(=O)c2ccccc21 8993184 RBQSCFKJQMVBHB-CPNJWEJPSA-N 392.436 3.216 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1OCC 409132748 RBZYZLUBKQGUQA-SFHVURJKSA-N 399.443 3.114 30 40 GGEB N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(c4ccccc4F)CCC3)C2)nc1 593422192 DWESDZSQTLNPPO-QGZVFWFLSA-N 394.450 3.377 30 40 GGEB C[C@]12CN(C(=O)c3ccc(I)o3)[C@]3(C#N)C[C@@H]1CC[C@@]23C 100920913 NZDNVISCKUUNQK-MVWHLILJSA-N 396.228 3.429 30 40 GGEB N#CCSc1ccccc1NC(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1 23186391 XLXYSPGHVGBKMJ-GOSISDBHSA-N 385.464 3.453 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 23220056 KNQMFIOGMSBIBG-XIKOKIGWSA-N 399.322 3.307 30 40 GGEB CN(/N=C/c1cccs1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 6178474 QJRMKLQCYQFPNI-HMMYKYKNSA-N 385.541 3.384 30 40 GGEB Cc1nnc(=O)[nH]c1N/N=C/c1ccc(OCc2c(F)cccc2Cl)cc1 4422719 ASAZOTDFQFJLRD-ZVBGSRNCSA-N 387.802 3.291 30 40 GGEB Cc1cccc(C)c1N=C1S/C(=C\c2ccc(OCC(N)=O)cc2)C(=O)N1C 408961710 DMDMRRWAPVHPAE-RUTCVDLDSA-N 395.484 3.401 30 40 GGEB CCOC(=O)N1CCN(c2nc(SC)nc(-c3ccc(C)cc3)c2C#N)CC1 19820695 FSRWZTXJJOZUSN-UHFFFAOYSA-N 397.504 3.324 30 40 GGEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220503391 ANJUNAHXCYAUJT-LJQANCHMSA-N 385.489 3.244 30 40 GGEB CO[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)s1 225708555 AQMBJESLIKDNGJ-GFCCVEGCSA-N 398.271 3.369 30 40 GGEB CN(CCN(C)/N=C\c1ccc(N(C)C)cc1)/N=C\c1ccc(N(C)C)cc1 4530015 AXMSBPGDLMGFGN-BOYKQRMESA-N 380.540 3.050 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 12276985 UFTNEYPSVAJLBM-SMXHQDLGSA-N 380.535 3.041 30 40 GGEB C=CC[C@]12C[C@H](COc3ccccc3C(N)=O)OC1=Nc1ccccc1NC2=O 1609110 PIOIJRVTEYTDQA-JLCFBVMHSA-N 391.427 3.198 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)n1 6606698 QSDRUBKFRWWSJK-AWEZNQCLSA-N 380.429 3.045 30 40 GGEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc(OC)c3c(c2)OCCO3)c1C 8078909 ZRMCIXZYIPCSFS-VOTSOKGWSA-N 385.416 3.484 30 40 GGEB Cc1sc2nc3c(C#N)cc(C(=O)c4ccccc4O)cn3c(=O)c2c1C 6600475 NCIDRDQIQCBFOX-UHFFFAOYSA-N 375.409 3.334 30 40 GGEB CN(C(=O)CSc1nnnn1-c1cccc(Cl)c1)C1(C#N)CCCCC1 6848979 SQIRHUHTNSDTDG-UHFFFAOYSA-N 390.900 3.093 30 40 GGEB C=CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 6979506 SBBJTVVJIBDHQU-KRWDZBQOSA-N 393.487 3.447 30 40 GGEB C=CCOc1cc(Br)c(/C=C2/NC(=O)N(CC=C)C2=O)cc1OC 409147041 ULZXFAVCTOMHCI-MDWZMJQESA-N 393.237 3.101 30 40 GGEB Cc1ccc(/C=N/n2c(C)nnc2SCn2nc(C)c([N+](=O)[O-])c2C)s1 2733170 VNANFSYOSFVZFT-FRKPEAEDSA-N 391.482 3.310 30 40 GGEB C=CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)C(=O)NC1=S 17299849 WGDBCZTWBIVNND-GDNBJRDFSA-N 385.876 3.252 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2ncccc2c1=O 31615128 KWQXHGAZDSOGAM-UHFFFAOYSA-N 380.473 3.271 30 40 GGEB COc1ccc(C2CC(=O)C(=C3OCCN3Cc3ccccc3)C(=O)C2)cc1 20800808 LHHCYKIFALMCPR-UHFFFAOYSA-N 377.440 3.455 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccncc2)cc1 102860692 ZKNYGMNLZYXFEC-GHNGSUTGSA-N 391.383 3.013 30 40 GGEB COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1S/C(=N\CC(C)C)NC1=O 8491122 HYDJPLKDFUBVAF-CQSZACIVSA-N 383.901 3.229 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(C)=O)c1 55722805 RUZMMZYKQHHBCV-NRFANRHFSA-N 377.444 3.419 30 40 GGEB C=CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22275910 JAOFSNIMRQTQMD-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB CCOC(=O)[C@@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 7436811 CSHNGKOMAPCEDA-CQSZACIVSA-N 389.521 3.102 30 40 GGEB C[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218468172 STQYBXZXPNYJOJ-ZDUSSCGKSA-N 391.880 3.199 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)c1ccccc1Cl)OCO3 35311321 VICOECBAFZUILX-UHFFFAOYSA-N 394.818 3.330 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218347820 WKLDVYBFXBQCAH-ZJOUEHCJSA-N 383.469 3.262 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2cc(C)ccc2OC)s1 32891695 VLETZOFDOONEBI-UHFFFAOYSA-N 382.467 3.168 30 40 GGEB COC(=O)c1ccccc1/N=C/c1ccc(Sc2nnc[nH]2)c([N+](=O)[O-])c1 6579648 JITXQCKNRSCXIA-GIJQJNRQSA-N 383.389 3.401 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc1 12551398 WJPGHNWIEATYPM-INIZCTEOSA-N 387.443 3.435 30 40 GGEB C=CCn1c(NS(=O)(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21 3216852 FESFSIJRTMDEFH-UHFFFAOYSA-N 389.440 3.443 30 40 GGEB CCOC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1 5009218 DDCGRQBESGAIJZ-UHFFFAOYSA-N 379.441 3.190 30 40 GGEB C[C@@H](Sc1nnc(N)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313078 QHOXYFFAYRRCCH-MRVPVSSYSA-N 379.536 3.442 30 40 GGEB COc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC 5429857 ZWIYCRMYUHDOAA-GFCCVEGCSA-N 394.855 3.245 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)c1 19973842 QQAMYJKVTJVHCI-LJQANCHMSA-N 398.459 3.127 30 40 GGEB CCS(=O)(=O)c1cnc(S)c(C#N)c1-c1ccc(Br)cc1 96510087 ROZJUJILJQZFOH-UHFFFAOYSA-N 383.292 3.465 30 40 GGEB Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C 4492410 IBOXUXKSNZFTBD-JDAKFOBDSA-N 397.456 3.283 30 40 GGEB O=C(CON=C1c2ccccc2-c2ccccc21)NCc1ccc2c(c1)OCO2 2648725 BRYYOIDKUVHKQL-UHFFFAOYSA-N 386.407 3.481 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](c2ccccc2)c2nccn2C)n1 8746592 NOCBRCDTUFVFGW-LJQANCHMSA-N 391.500 3.302 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 52384957 SVCCPTLDIYPTLC-UHFFFAOYSA-N 384.823 3.011 30 40 GGEB Cc1n[n+](CC(=O)c2ccc(Cl)cc2)c2n1N=C(c1ccccc1)CS2 28114404 YBDDDTTZHIIIBO-UHFFFAOYSA-N 383.884 3.373 30 40 GGEB CCOc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc([N+](=O)[O-])cc2)cc1 13800257 PUODOJOAJNIYBC-YOPNLDQXSA-N 398.444 3.459 30 40 GGEB N/C(=N/OCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)nc1 79110497 KFXQYWZANBDYMC-UHFFFAOYSA-N 389.843 3.471 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1C 35290377 MLMIUVRULUVXER-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB C#CCOC[C@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)C1 49031859 GBWOURNCCBVECQ-ZDUSSCGKSA-N 376.305 3.352 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225077675 HAZYUXRYWJFBCH-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC1CCCCC1 32777036 FEJPKKSXVJUIGH-UHFFFAOYSA-N 391.585 3.034 30 40 GGEB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)Oc2cc(OC(=O)N3CCOCC3)ccc21 5219521 ZBQCLSKQCLSIIG-WQRHYEAKSA-N 396.355 3.042 30 40 GGEB CCCN(Cc1ccc(C#N)cc1)C(=O)CCCN1C(=O)c2ccccc2C1=O 32796981 DYCMBJLLXBWHAP-UHFFFAOYSA-N 389.455 3.373 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1 5014456 DFBZQYFMPIWERE-LJQANCHMSA-N 381.428 3.310 30 40 GGEB COc1ccc(N2CSc3nc(-c4ccc(F)cc4)c(C#N)c(=O)n3C2)cc1 13724176 NJPHUBUOVFMUTA-UHFFFAOYSA-N 394.431 3.457 30 40 GGEB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 8771868 UJYLXXLXFUMFSA-PBHICJAKSA-N 378.403 3.301 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1(C#N)CCCC1 7334430 WFXDXLLQKMFBCE-UHFFFAOYSA-N 375.494 3.192 30 40 GGEB N#Cc1c(CCCNC(=O)c2ccc(-c3nc4ccccc4s3)o2)n[nH]c1N 8134501 XGMDGHDMSVPHAK-UHFFFAOYSA-N 392.444 3.096 30 40 GGEB C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2C[C@@H](OCC)C23CCCCC3)c1 97012478 AUTMZSWBNQIYOM-RBUKOAKNSA-N 383.492 3.034 30 40 GGEB CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(CCOc2ccc(CC#N)cc2)C1 72304916 XFMGYLCNNJKNSQ-QGZVFWFLSA-N 397.441 3.254 30 40 GGEB Cc1ccc(-c2csc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)n2)cc1 409412498 POAUQCVQAPQLHT-UHFFFAOYSA-N 378.457 3.407 30 40 GGEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224782546 SEMUGLXLZJSQJR-UHFFFAOYSA-N 390.417 3.056 30 40 GGEB CCOc1cc(Br)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 3191039 IWFRXGXODAQTRT-QGMBQPNBSA-N 376.210 3.474 30 40 GGEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1cccs1 4183996 KVINEJQFRHQLJO-LFIBNONCSA-N 382.467 3.133 30 40 GGEB Cc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 20501909 TTWRMOZBZSSJMO-QGZVFWFLSA-N 399.516 3.208 30 40 GGEB NC(=O)c1ccc(N/N=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 101387363 AIPDKLNTSNMWKE-LKUDQCMESA-N 383.411 3.005 30 40 GGEB O=S(=O)(N/N=C1\CCCc2ccccc21)c1ccc(Br)cc1 101868503 YYSQNBQAJUVZLO-FBMGVBCBSA-N 379.279 3.468 30 40 GGEB C=CCNC(=O)c1c(N)n(-c2ccc(F)c(F)c2F)c2nc3ccccc3nc12 2302967 HCVMYMLHELYSBN-UHFFFAOYSA-N 397.360 3.489 30 40 GGEB COc1ccc(Nc2nn3cc(C(=O)c4ccccc4O)cnc3c2C#N)cc1 6550301 YOTGWPXJCAIGDK-UHFFFAOYSA-N 385.383 3.290 30 40 GGEB C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(c2ccccc2C#N)CC1 48374356 HZMQCPRDLBWATI-MRXNPFEDSA-N 393.447 3.006 30 40 GGEB OC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 144794862 KHOFTXLGECPPRY-UHFFFAOYSA-N 380.100 3.426 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(SCc2ccc(C#N)cc2F)nc1 11538728 HCHBOSQTXVKTQX-UHFFFAOYSA-N 379.482 3.415 30 40 GGEB O=C(/C=C\Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 4813509 VGPHLZDEWAMPLW-KAMYIIQDSA-N 380.429 3.086 30 40 GGEB N#CCSc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1 6084409 SWLVIXIBKLBVNC-UHFFFAOYSA-N 377.403 3.067 30 40 GGEB NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc(Cl)cc2Cl)C1=O 100530543 CMPVLPYGWNAPMR-KGENOOAVSA-N 392.271 3.251 30 40 GGEB COc1ccc2c(c1)CCC/C2=N\OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 17282473 VZHFKKPARILZTM-HTXNQAPBSA-N 385.332 3.409 30 40 GGEB C=CCn1c(=S)sc2c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)cnc21 6590118 VYOIARUVVTZMNE-UHFFFAOYSA-N 386.502 3.431 30 40 GGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(C(=O)O)cc1)n1ncnc1N2 18196304 GCHSJARTISGIFA-SCLBCKFNSA-N 392.440 3.454 30 40 GGEB COc1ccc(Cc2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)cc1 9328173 DAWNYSCKTGERQM-UHFFFAOYSA-N 378.457 3.261 30 40 GGEB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N\Nc2ccc(C(F)(F)F)cn2)c1 409066604 PCKQHWHWAJBXIU-YVNNLAQVSA-N 395.341 3.291 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 102748841 RCCQTYXDHIAYJU-GHNGSUTGSA-N 395.484 3.213 30 40 GGEB CCOc1ccccc1/C=N/NS(=O)(=O)c1ccc(Br)cc1 3472180 RBNXXYLAZKPGHV-GZTJUZNOSA-N 383.267 3.160 30 40 GGEB CN1CCc2c(C#N)c(N3CCC(Cc4ccccc4)CC3)n3cnnc3c2C1 13687104 HLQVPKOATGDDDP-UHFFFAOYSA-N 386.503 3.048 30 40 GGEB O=[N+]([O-])c1ccc2cc(/C=N/NS(=O)(=O)c3ccccc3)c(Cl)nc2c1 408728487 NHJWFMMTWWDPEP-VCHYOVAHSA-N 390.808 3.109 30 40 GGEB CCc1ccc(C(=O)C2=C(CC(=O)O)C(=O)N(CC(C)C)[C@H]2SC)cc1 62716440 MZAZJGUIVLXKFG-FQEVSTJZSA-N 375.490 3.390 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3ccsc3)s2)cc1 826782655 YLRJFRJQTQHVST-OAHLLOKOSA-N 390.511 3.360 30 40 GGEB O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccccc1 16739654 MVBXEZFORJPHIC-CUPVHWRNSA-N 378.457 3.302 30 40 GGEB CO[C@@H]1CCC[C@@H](C(=O)NC2(C#Cc3ccc(NC(C)=O)nc3)CCCCC2)C1 19022667 YOLIZGGYCXGYJY-WOJBJXKFSA-N 397.519 3.416 30 40 GGEB C[C@]12CC[C@@H]3[C@@H](CC[C@H]4Cc5[nH]c(=O)c(C#N)c(C#N)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 3984791 RONRYQJFHZPPMI-NLGZADPZSA-N 391.515 3.437 30 40 GGEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 101070001 DKGYMVOOGYGOQZ-RBFDBLARSA-N 387.233 3.329 30 40 GGEB O=C(C[C@@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc(F)cc1F 2630883 YJENIHZMGNFWDH-HNNXBMFYSA-N 375.400 3.081 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2F)/C1=C(\O)c1cccs1 102926155 RPCSRLWMDPZYSS-VCWDPOAFSA-N 387.432 3.488 30 40 GGEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N1C 101636151 JSEVTEGAFAFOOU-QTFLQNGUSA-N 383.473 3.413 30 40 GGEB Cc1sc(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)c(C#N)c1C 48375277 NOTZNSWVKBAWQH-UHFFFAOYSA-N 378.413 3.331 30 40 GGEB COC(=O)Cn1c(S[C@H](C#N)Cc2ccc(C)cc2)nc2ccccc2c1=O 12852264 YQLWNBFKKMGOCL-INIZCTEOSA-N 393.468 3.105 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 96839907 YPKUZIQZSIOKDP-FFAYTRQJSA-N 392.433 3.266 30 40 GGEB CN(C)c1ccc(/C=N/n2cnnc2SCc2ccccc2)cc1[N+](=O)[O-] 59489958 FQXNQHHEGHJTEJ-RGVLZGJSSA-N 382.449 3.427 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12539501 NNAVQOXHXHDTRG-LJQANCHMSA-N 389.459 3.036 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 10637626 GLVMQVMSRACYLR-UHFFFAOYSA-N 379.416 3.101 30 40 GGEB CC(C)c1ccccc1OCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 14183022 FHWTUYZGUFKTSN-UHFFFAOYSA-N 377.488 3.405 30 40 GGEB CNC(=O)[C@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 18105924 CNYRTTRWZBTMOP-GLEDVZQVSA-N 381.501 3.387 30 40 GGEB C=C(C)COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 219783360 BVHGOSQHJLWIEM-UHFFFAOYSA-N 380.444 3.366 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225112835 PADAMKWEFFXDGH-UHFFFAOYSA-N 380.397 3.432 30 40 GGEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccc(F)cc3)n2)o1 223680030 ICEIEDQQZDNNLX-UHFFFAOYSA-N 398.419 3.332 30 40 GGEB CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 596485345 HHCZQTABOZKKOZ-BURNTYAHSA-N 384.524 3.048 30 40 GGEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nccs1 100849184 SHKDKPRHXNUCMB-NGFMMCKOSA-N 390.465 3.429 30 40 GGEB C=CCOc1c(Cl)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Cl 59139470 XWGDLCXDWPICFR-UHFFFAOYSA-N 385.272 3.157 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2ncccc2c1=O 32885500 YXQCYTMIWGDOHN-UHFFFAOYSA-N 380.473 3.325 30 40 GGEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N\S(=O)(=O)c1ccccc1 12438237 IXVDXYHJXXXGGV-SJKKTQPASA-N 378.500 3.429 30 40 GGEB CCCCS[C@H](C)C(=O)[C@@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 58159231 WMNWRDXXFFVZTF-ZBFHGGJFSA-N 397.566 3.210 30 40 GGEB COC(=O)COc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1 408967368 VGHVSWABFRVQFM-GZTJUZNOSA-N 382.441 3.438 30 40 GGEB O=S(=O)(N/N=C\c1c[nH]nc1-c1ccc(Cl)cc1)c1ccc(F)cc1 17077498 UGVBRRIGLILJNU-JMIUGGIZSA-N 378.816 3.182 30 40 GGEB N#Cc1c(CCCCC/N=C/c2cc(Br)ccc2O)n[nH]c1N 97931231 KHMSIPBXIRGELX-KEBDBYFISA-N 376.258 3.164 30 40 GGEB COc1cc(/C=C2\SC(=N)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1C#N 408735363 OQKALBVEXNZUQP-APSNUPSMSA-N 396.384 3.406 30 40 GGEB CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)s1 604205441 UREOMQVRTUBNNS-VIFPVBQESA-N 383.882 3.271 30 40 GGEB COc1ccc(Cl)cc1C(=O)NCC1CCN(c2ncccc2C#N)CC1 70929252 KYBJNXSVUPAMRF-UHFFFAOYSA-N 384.867 3.262 30 40 GGEB CN(C)c1ccc([C@@H](C#N)NCCCN[C@H](C#N)c2ccc(N(C)C)cc2)cc1 1615565 HMLWEEUZLYKLMM-DHIUTWEWSA-N 390.535 3.217 30 40 GGEB C=CCOC(=O)c1sc(N[C@@H]2OC(=O)c3ccccc32)c(C(=O)OC)c1C 4384837 NCPOBDYWMPHKPH-OAHLLOKOSA-N 387.413 3.467 30 40 GGEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@]12C#N 103010509 JVADAEPYKLFVFA-KBMXLJTQSA-N 379.247 3.208 30 40 GGEB Cc1nnc(SCC(=O)N(C)c2cccc(C#N)c2)n1Cc1ccccc1 58440761 ZIKDUCJVIDRAHP-UHFFFAOYSA-N 377.473 3.262 30 40 GGEB N#Cc1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCCC2 14500604 VZTRLLOOMSUAFA-HUUCEWRRSA-N 399.516 3.392 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3cccs3)n2C)n1 7834825 QMEASBMSMNUYFQ-LBPRGKRZSA-N 389.531 3.201 30 40 GGEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118929309 KGOJBGFCQASCHE-ZPHFWAQNSA-N 378.484 3.147 30 40 GGEB N#CCOc1cccc(CNC(=O)[C@@H]2CCn3c(cnc3-c3ccccc3)C2)c1 95993206 BYSZIPWQOFQCPM-LJQANCHMSA-N 386.455 3.331 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc2c(c1)OCO2 409294940 CKVGNSFWVZWYSJ-UHFFFAOYSA-N 386.205 3.078 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 36638555 SKKSZAPTZJXDMI-VXPFYOMVSA-N 394.562 3.458 30 40 GGEB COC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 225056060 SFVCHURCIPSRMY-UHFFFAOYSA-N 394.452 3.274 30 40 GGEB N#Cc1ccc(NC(=O)O[C@H]2COCCN(c3nc4ccccc4o3)C2)cc1 96269062 BLAHTTJGMVHALM-MRXNPFEDSA-N 378.388 3.153 30 40 GGEB biogenic,in-vitro CCc1ccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 19961328 JYHPNWQMOBYTRO-DLBZAZTESA-N 385.427 3.300 30 40 GGEB O=C1CS/C(=N/S(=O)(=O)c2ccc(Cl)s2)N1C1CCCCC1 3327384 HJDKUXAZKBGWET-FYWRMAATSA-N 378.928 3.354 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 102928118 YQGKIBYTSKARIW-SELCWUDQSA-N 396.399 3.053 30 40 GGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 21704964 JBLXPESQPUKWII-HSZRJFAPSA-N 387.439 3.087 30 40 GGEB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 12603725 HKPKZTNDCAAALY-IYBDPMFKSA-N 397.500 3.477 30 40 GGEB CN(C)/C=C(\C(=O)c1cccc(C(F)(F)F)c1)c1nnnn1-c1ccccc1 4342917 ABWFLKSMNRWIRL-FOWTUZBSSA-N 387.365 3.467 30 40 GGEB CCCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1 6783466 MNTDMGMXSVSSFN-WOOAAIBNSA-N 398.459 3.052 30 40 GGEB COc1cc(/C=N/N2C(=O)CSC2=S)ccc1OCc1ccccc1C#N 409338181 FKMYKLQBHBMVCZ-UFFVCSGVSA-N 397.481 3.340 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\NCc1nc(Cc2ccc(Cl)cc2)no1 1547200822 IRJYFYNRUIPNLT-XNTDXEJSSA-N 395.802 3.089 30 40 GGEB C=CCOc1cc(Br)c(/C=N/NC(=S)NCC)cc1OCC 33727981 ZVBMFPDNQTZHIF-VCHYOVAHSA-N 386.315 3.231 30 40 GGEB N#Cc1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)cc1F 573685989 HPFZMNLWRMIUTA-SVFBPWRDSA-N 379.435 3.411 30 40 GGEB Cc1ccc(S(=O)(=O)OCC[C@@H](C)OS(=O)(=O)c2ccc(C)cc2)cc1 98174840 YSOXTCSGMGOBKU-MRXNPFEDSA-N 398.502 3.193 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cccc(S(=O)(=O)N(C)C)c1 7980446 IYXWKLZOELCKFY-UHFFFAOYSA-N 398.937 3.480 30 40 GGEB C=CC[C@@]12C[C@@H](COc3ccccc3C(N)=O)OC1=Nc1ccccc1NC2=O 1609109 PIOIJRVTEYTDQA-FPTDNZKUSA-N 391.427 3.198 30 40 GGEB O=C(NCC#Cc1ccccc1)c1occc1CS(=O)(=O)c1ccccc1 22416914 WCMLTYJOYUVJHH-UHFFFAOYSA-N 379.437 3.035 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1nc2ccccc2s1 24841400 MIZLITUADWWIDQ-UHFFFAOYSA-N 376.445 3.399 30 40 GGEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)cc1OC 49549909 VBDKKVHFNQMSFS-IBGZPJMESA-N 378.432 3.430 30 40 GGEB CN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 96509945 IATKCDMBPOUTNC-OAHLLOKOSA-N 375.400 3.237 30 40 GGEB N#CCOc1ccccc1/C=N\N=C1/C(=O)Nc2ccc(Br)cc21 16449491 NXRSSUIPWHSIDP-JMIUGGIZSA-N 383.205 3.127 30 40 GGEB CN(CCO)c1ccc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)cc1 8125231 UIPXKWVSNJKTBP-WSDLNYQXSA-N 396.438 3.454 30 40 GGEB N#Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 6161201 ZNDJMERJYHNJHW-UHFFFAOYSA-N 396.497 3.466 30 40 GGEB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 20028896 FLBYURHJLWFNCW-LJQANCHMSA-N 386.879 3.167 30 40 GGEB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@@](C)(C#N)C(C)C)c(=O)c12 17130429 RZWHGHLMCFWIEF-NRFANRHFSA-N 394.500 3.488 30 40 GGEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3nc4ncccn4n3)c2C#N)C1 924015 YEDMMJVVGQPQRS-NSHDSACASA-N 380.477 3.461 30 40 GGEB C/C(NCCNc1c(F)c(F)c(CO)c(F)c1F)=C1/C(=O)C[C@H]2[C@H]1C2(C)C 101362052 GRAGAGPVWPFWNF-NTVZQBGLSA-N 386.389 3.256 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccc(O)c1)c1cccs1 9353557 ROFOTIQTFMZJAF-RHSMWYFYSA-N 385.441 3.211 30 40 GGEB O=C(C[C@H]1S/C(=N/N=C/c2c[nH]c3ccccc23)NC1=O)c1ccccc1 6884841 CSWSXPJZDQIBHY-FNLSEGDXSA-N 376.441 3.362 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2c(Cl)nn(-c3ccccc3)c2C)cc1 408895109 TVDBLGGWLUGDDR-UDWIEESQSA-N 388.880 3.455 30 40 GGEB CSc1ccc(/C=N/N=c2[nH]c3nonc3nc2Nc2ccccc2F)cc1 408974020 USYHCBOQMNSSSF-KEBDBYFISA-N 395.423 3.485 30 40 GGEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1 225658193 PVOCQCDGBJGREJ-QRVBRYPASA-N 375.877 3.344 30 40 GGEB CC[C@@](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)(OC)c1ccccc1 96123808 HHOJCAVLLPIVHZ-FQEVSTJZSA-N 385.851 3.218 30 40 GGEB C=CCSc1nnc(NC(=O)C[C@H](NC(C)=O)c2ccc(C)cc2)s1 11529684 CXXBGHZTSCNKKD-AWEZNQCLSA-N 376.507 3.331 30 40 GGEB C=CCN1C(=O)[C@@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 20648632 OAIICKIVXXVZBV-QGZVFWFLSA-N 393.390 3.212 30 40 GGEB S=C(NCCN1CCOCC1)N/N=C/c1c2ccccc2cc2ccccc12 20823301 LCUUKKYLAQYQQX-LFVJCYFKSA-N 392.528 3.123 30 40 GGEB CC[C@H](C)[C@@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 24978470 QGCXKASVYAMEHJ-LIRRHRJNSA-N 376.412 3.312 30 40 GGEB COc1ccc(OCCOC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 3353572 AUNFXKARJNJCHU-ONNFQVAWSA-N 383.400 3.242 30 40 GGEB Cc1nc(S[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C#N)c(C)c1C 7188634 VJHZSAYYQOBDAD-CQSZACIVSA-N 380.473 3.344 30 40 GGEB C[C@H](OC[C@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1=Cc2ccccc2CC1 71843998 DFXRYJQSKXOXPR-WMLDXEAASA-N 379.478 3.234 30 40 GGEB COc1ccc2c(c1)CCC[C@@H]2C/C(O)=N/S(=O)(=O)c1c(C)noc1C 71825154 CLASIORHYUMZQR-CQSZACIVSA-N 378.450 3.455 30 40 GGEB C#CCn1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2254382 GBLAHGAVOQZQQV-PDGQHHTCSA-N 387.370 3.080 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)o1 4544245 DALSTORSNFOQCT-LDADJPATSA-N 383.363 3.485 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)/C1=C(\O)c1cccs1 104191757 XXIPXEZOCUMRRO-SELCWUDQSA-N 393.468 3.457 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102880272 ZOVPLRSTXLETKT-FPUHYBSFSA-N 381.403 3.426 30 40 GGEB COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C#N)cc1 14022922 RTQBIYBOYDYEPX-GOSISDBHSA-N 396.834 3.487 30 40 GGEB CN1/C(=C\C(=O)COC(=O)Cc2cn3ccsc3n2)C(C)(C)c2ccccc21 18192997 XFEDVOFPDXNSGQ-WQRHYEAKSA-N 395.484 3.362 30 40 GGEB COc1ccc(CN2CNC(=Nc3nc(C)c4cc(C)cc(C)c4n3)NC2)cc1 19320546 WRYNTHPFCLZLHG-UHFFFAOYSA-N 390.491 3.161 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1Cl 408814817 QFLBNDPEGVZDOG-RVDMUPIBSA-N 380.787 3.018 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(Br)cc(OC)c2OC)C1=O 409060447 ZZONTGZDBBNXPJ-KPKJPENVSA-N 382.235 3.136 30 40 GGEB N#Cc1cccnc1OC1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 96119309 ZUTDGYDBDBHHSF-UHFFFAOYSA-N 397.500 3.064 30 40 GGEB C=CCNC(=S)NN=Cc1ccc(OCCOc2ccccc2C)c(OC)c1 13371487 SGZLBMXRMPSPHD-UHFFFAOYSA-N 399.516 3.445 30 40 GGEB Oc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc2cn[nH]c2c1 17417513 IPTWKVRBGZADAS-QGMBQPNBSA-N 390.266 3.352 30 40 GGEB C=CCc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)cc(OC)c1OC 16263572 ODHIDKYGQIQLFL-UHFFFAOYSA-N 389.473 3.397 30 40 GGEB C#Cc1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 12883531 WTZOTDJYVYZOPQ-MRXNPFEDSA-N 388.514 3.077 30 40 GGEB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(Cn2cnc(C#N)n2)cs1 14143811 QDHJDSRUFMMSTH-UHFFFAOYSA-N 392.366 3.358 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccc(F)cc1 4736237 XRVZWTPFWFIZBO-UHFFFAOYSA-N 390.469 3.161 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@@H]2c1ccccc1 14943835 ZRPHZYINOYRYBN-SXGZJXTBSA-N 379.412 3.073 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)COc1ccc2c(c1)CCC2 6839968 HGLNJWUYCOQOKH-UHFFFAOYSA-N 384.819 3.261 30 40 GGEB COc1cc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)ccc1OC(F)F 96792627 UFGBMAMGQKWSHY-WQLSENKSSA-N 380.368 3.350 30 40 GGEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc([N+](=O)[O-])c1O 409037276 TTXJTVSBRDZWHL-PVOVUMCXSA-N 379.188 3.023 30 40 GGEB CC1(C)CN(C(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CCO1 553162792 QWISABYIUVAOKY-UHFFFAOYSA-N 375.900 3.456 30 40 GGEB N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCNC2 528716997 XMEBSLCOTUMCSO-PMACEKPBSA-N 376.460 3.472 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(NC(C)=O)ccc21 100875808 WOAFRXQSFDMXTP-XDOYNYLZSA-N 379.441 3.044 30 40 GGEB CC1=C(C(=O)N2CCOCC2)[C@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 20028829 BKGQTOAULNTKFG-IBGZPJMESA-N 386.879 3.167 30 40 GGEB N#Cc1cccc(S(=O)(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1 21224482 MPOMTZBWRONMHT-UHFFFAOYSA-N 395.314 3.451 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@@H]2c2cccnc2)cc1 102649184 XPUWOTQFIMLFCU-LFVOPCPISA-N 387.395 3.112 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12539503 NNAVQOXHXHDTRG-IBGZPJMESA-N 389.459 3.036 30 40 GGEB O=C(Cn1cc(/C=N/c2ccc([N+](=O)[O-])cc2)c2ccccc21)N1CCOCC1 59104538 QDOVTUKSIPEWTD-LPYMAVHISA-N 392.415 3.159 30 40 GGEB COc1cc(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1OC 2270822 CWOWORBSSXGEME-UHFFFAOYSA-N 393.255 3.162 30 40 GGEB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)[C@H](C)Oc1ccc(C#N)cc1 12913225 ZBAMCDCOHZGGHG-HNNXBMFYSA-N 399.878 3.144 30 40 GGEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccccc3OC)N(C)C2=O)cc1 4699829 SPHGFCLDFMGXBG-WXVFVKJXSA-N 399.472 3.294 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4ccccn4)nc13)O2 6660382 SIGLITMIHRISSX-KRWDZBQOSA-N 385.383 3.311 30 40 GGEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 4783694 DPTFRUYEDMCUIL-ZDUSSCGKSA-N 384.233 3.312 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2CCCN(C)C)cc1 6813228 FQOCGZPWYAWRND-GHNGSUTGSA-N 384.501 3.430 30 40 GGEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCC(C)CC1 226279018 FNWQZVAPYJOBRI-UHFFFAOYSA-N 382.382 3.238 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(F)cc1 104173562 HLJQILHDISLOCJ-IDTYTIONSA-N 399.378 3.443 30 40 GGEB COc1ccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)cc1 20111758 VWCLOXJNETWOIX-VULIGXMUSA-N 384.432 3.230 30 40 GGEB biogenic COc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 100129390 SXOLPQVKMPFPIO-YJBOKZPZSA-N 390.439 3.171 30 40 GGEB C=CCOC(=O)c1sc(NC(=O)c2nc(SC)ncc2Cl)nc1C 27742961 FKVZMRVLJKWYGR-UHFFFAOYSA-N 384.870 3.212 30 40 GGEB NC1=C(c2nc3ccccc3s2)C(=O)CN1NC(=O)Nc1ccc(Cl)cc1 3222698 PRHAQWBHOQUZLG-UHFFFAOYSA-N 399.863 3.198 30 40 GGEB Cc1ccccc1C(=O)NC1CCN(c2cc(C#N)cc([N+](=O)[O-])c2C)CC1 48290892 WHFKKPAVUULJIE-UHFFFAOYSA-N 378.432 3.482 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc(C#N)c2)cc1 6560868 ZBKSVKSZYLDXPB-JLHYYAGUSA-N 383.473 3.241 30 40 GGEB CN(CCOc1ccc(Br)cc1)C(=O)COc1ccc(C#N)cc1 5959539 QIJNTRDTWRUETQ-UHFFFAOYSA-N 389.249 3.237 30 40 GGEB COc1ccc([N+](=O)[O-])cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 24507344 KQWYGFKXGDDZEN-UHFFFAOYSA-N 378.306 3.404 30 40 GGEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O 409040447 XULYAVLXDHTNED-UHFFFAOYSA-N 385.372 3.437 30 40 GGEB CC(=O)c1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408742493 RHJNREROMFRKNC-PPAWOMOGSA-N 399.859 3.309 30 40 GGEB COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)c1 40286071 BKXSIQVCDZYIPM-IBGZPJMESA-N 378.432 3.430 30 40 GGEB N#Cc1cccc(N2CCOC[C@@]3(CCCN(C(=O)c4ccsc4)C3)C2)c1 96229005 UAOGGDSTMDHNCD-NRFANRHFSA-N 381.501 3.379 30 40 GGEB C(#Cc1nc(N2CCCC2)nc2c1CN(Cc1ccccc1)CC2)c1cccnc1 19372320 LOBJQTADHMCEHA-UHFFFAOYSA-N 395.510 3.430 30 40 GGEB COc1ccc(Nc2oc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2C#N)cc1 12421022 FWSICXCLMAWXHR-UHFFFAOYSA-N 398.444 3.216 30 40 GGEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(Cl)c2)C3=O)CC1 20519438 QXPQGTXIWBPANC-UNOMPAQXSA-N 384.863 3.409 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCc1nc2ccccc2s1 11178188 UIKFZYRJADLNSY-UHFFFAOYSA-N 394.500 3.155 30 40 GGEB C/C(=N\Nc1ccc(S(N)(=O)=O)cn1)c1ccc2c(c1)Cc1ccccc1-2 46098181 JJBQBDRSANNPPQ-YDZHTSKRSA-N 378.457 3.136 30 40 GGEB O=C(O)c1ccc(C/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59678281 CMVHTUVQOLEQES-YBFXNURJSA-N 393.237 3.196 30 40 GGEB N#CC1(NC(=O)CSc2cc(C(N)=O)c3ccccc3n2)CCCCCC1 25046322 WKIMPZSGIKVELZ-UHFFFAOYSA-N 382.489 3.159 30 40 GGEB CC(C)CNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 5030817 RAZNQUPDLFOYLZ-FOKLQQMPSA-N 392.488 3.496 30 40 GGEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)cc(Cl)c1 5138745 LHHZZZKKVOOWEN-QPEQGOCJSA-N 393.317 3.005 30 40 GGEB C/N=C1/S/C(=C\c2ccccc2OCC(=O)Nc2ccc(F)cc2)C(=O)N1C 408859086 WGMXCHXUBXXBRH-XAEZOWLJSA-N 399.447 3.375 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)c1C 5326357 AVHDHXHCEJTXCQ-UHFFFAOYSA-N 386.448 3.452 30 40 GGEB Cc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 4851744 XZUHBXASTCSHHO-LJQANCHMSA-N 399.450 3.399 30 40 GGEB COc1ccc(N2C(=O)[C@H](CC(=O)O)S/C2=N\N=C\c2cccs2)cc1 4877613 KKSQPCCNAGLCAC-OAXRULCFSA-N 389.458 3.070 30 40 GGEB CN(Cc1cccnc1)[C@H]1COC2(CCN(Cc3cccc(C#N)c3)CC2)C1 96220851 DQQCLTKHZWKBNF-JOCHJYFZSA-N 376.504 3.209 30 40 GGEB COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cc(F)c(F)cc1Cl 1058479 GBBFUIARSXOBGN-QPSGOUHRSA-N 399.806 3.013 30 40 GGEB C[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C(=O)c2ccccc2C1=O 854045 JUCDMHVELLRYQD-LLVKDONJSA-N 379.441 3.122 30 40 GGEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 102859215 RRKNLPYQTAYWQJ-GHNGSUTGSA-N 383.375 3.112 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccc1OC 102802493 NQJGQJJARUKARA-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB C=CCNC(=S)N/N=C/c1cc(Br)c(OCC)c(OCC)c1 2123643 DNLCFHBMKOZMGT-VCHYOVAHSA-N 386.315 3.231 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 12884347 SXFAFYNLVPZGPU-ZDUSSCGKSA-N 397.456 3.145 30 40 GGEB CCCCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 4554903 BLLYBLJKKVYXEA-LBQODKDLSA-N 393.439 3.422 30 40 GGEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N1c2ccccc2C[C@H]1C 5813036 PHKMEVGFFALZSE-CABCVRRESA-N 391.427 3.062 30 40 GGEB Cc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2ncccn2)cc1 8772190 DGPPKNWMXJJLCB-QGZVFWFLSA-N 375.384 3.469 30 40 GGEB Fc1ccc(/C=N/N=c2[nH]c3nonc3nc2Nc2cccc(Cl)c2)cc1 408736004 ZNIRLZYHCORLKV-AWQFTUOYSA-N 383.774 3.417 30 40 GGEB COc1ccc(CC(=O)N[C@]2(C#N)CCc3ccccc3C2)cc1OC(F)F 529051541 AXIXILNZDROZDD-OAQYLSRUSA-N 386.398 3.407 30 40 GGEB CC(C)(C)c1ccc(NC(=O)NCC#CCOc2ccccc2C(N)=O)cc1 90743916 VLEJTWHPCHYSIR-UHFFFAOYSA-N 379.460 3.287 30 40 GGEB CO[C@@H]1CCC[C@H](C(=O)NC2(C#Cc3ccc(NC(C)=O)nc3)CCCCC2)C1 19022672 YOLIZGGYCXGYJY-VQTJNVASSA-N 397.519 3.416 30 40 GGEB CCO[C@@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C/Nc1ccccc1C(=O)O 5332797 LNTOTRAETBKUDO-LMICACPXSA-N 384.344 3.227 30 40 GGEB N#Cc1cnc(N2CC[C@@H](Oc3ccncc3Br)C2)c(Cl)c1 1776009196 XNJBNMFCINYIFZ-LLVKDONJSA-N 379.645 3.422 30 40 GGEB CC(C)(C)c1cn2nc(N3CCCN(c4ccc(C#N)cn4)CC3)ccc2n1 2087022425 NYLVGVDSAWLFAB-UHFFFAOYSA-N 375.480 3.010 30 40 GGEB N#Cc1ccc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)cc1Cl 40140534 YGEXWMGGKOLJQP-UHFFFAOYSA-N 384.798 3.468 30 40 GGEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)NCc2ccc(F)cc2)C1=O 101661166 LXWHTUDVXQIKFJ-HXUWFJFHSA-N 377.460 3.113 30 40 GGEB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 879940 HAGJYRNUIWTJDK-UHFFFAOYSA-N 391.880 3.119 30 40 GGEB C[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCCN(C)C 12652031 AKGOJBVCWNLASB-INIZCTEOSA-N 398.551 3.018 30 40 GGEB C=CCNc1nnc(SCC(=O)N(CCC#N)c2ccccc2F)s1 5783586 YYPAEYRBZFZPFP-UHFFFAOYSA-N 377.470 3.314 30 40 GGEB C=CCN1C(=O)[C@](O)(c2sc(N)nc2-c2ccc(F)c(F)c2)c2ccccc21 6820563 RYSFNAFYNDVOPH-HXUWFJFHSA-N 399.422 3.439 30 40 GGEB C/C(=N\Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(OCC(N)=O)cc1 7738101 VJHHENABSHCGGK-LSHDLFTRSA-N 396.325 3.314 30 40 GGEB CC(C)CCOc1ccc(CN2C(=O)/C(=N\NC(N)=S)c3ccccc32)cc1 46085037 ULPJEWUWYAFAJM-NMWGTECJSA-N 396.516 3.196 30 40 GGEB N#Cc1ccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)cc1 98212825 QDQCSVVEDNEIJF-UHFFFAOYSA-N 377.473 3.409 30 40 GGEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N\Nc1ccc(C)c([N+](=O)[O-])c1 100532664 RWDCOJYHKUBXGN-MNDPQUGUSA-N 382.336 3.002 30 40 GGEB O=C(CC1CCCCC1)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 103730948 KWZWRKYEOGAXSW-ZNWLFMFGSA-N 392.546 3.258 30 40 GGEB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N 8579864 GJQRWYHEWWJLLL-UHFFFAOYSA-N 378.251 3.048 30 40 GGEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(CC)cccc1CC 32508036 FUKUZZQDQMNHOR-ZUIHOSHSSA-N 394.562 3.213 30 40 GGEB C[C@H](Oc1ccc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)O 32638469 IXRQBLBZXCUSNC-DTHVTWRFSA-N 398.440 3.004 30 40 GGEB N#CCc1ccc(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cc1 44844737 URGHPCMFSOTTSU-UHFFFAOYSA-N 397.500 3.321 30 40 GGEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224771546 FNVAIKBLGKDCTO-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3cccc(C#N)c3)CC2)c(C)c1 48354826 DHYVXRIDUJQTHG-UHFFFAOYSA-N 382.485 3.459 30 40 GGEB Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc2c(c1)OCO2 44974069 MSCGHUZGANDZAT-MRXNPFEDSA-N 379.416 3.008 30 40 GGEB CCn1ncc(-c2cc(C(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)c1C 252480101 BVLIWMHQMHVVAV-QPSGOUHRSA-N 392.389 3.233 30 40 GGEB CC(C)CNC(=O)c1csc(Nc2cccc([C@H]3CCCN3CC#N)n2)n1 585293575 JEJKRWOWBPZTFL-MRXNPFEDSA-N 384.509 3.328 30 40 GGEB COC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 1889117 UTBZQQWVLKHRTK-MSUUIHNZSA-N 382.803 3.003 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccco1 4427660 BZDFWUTYSXPHCN-WOOAAIBNSA-N 394.427 3.399 30 40 GGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 5900979 LVLWPXKFJJPNHT-OCKHKDLRSA-N 384.384 3.262 30 40 GGEB biogenic Cc1ccc(C[C@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)c2ccccn2)cc1 72286380 XMYHHVPPMLFFDU-QFIPXVFZSA-N 398.466 3.495 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2ccccc2I)cc1 5574088 OWCJGUJDVQWKGA-UHFFFAOYSA-N 378.169 3.180 30 40 GGEB C=CCNC(=S)N1CCN(c2nc(C(C)C)c3c(c2C#N)CCCC3)CC1 20827435 HXHKBDQSZZLAFM-UHFFFAOYSA-N 383.565 3.138 30 40 GGEB Cc1nc2ccc(C(=O)N3CCCN(Cc4ccc(C#N)cc4)CC3)cc2nc1C 32845705 PEPQKJQLZYUFEX-UHFFFAOYSA-N 399.498 3.466 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccc(OC)c1 103888956 TVWMPRAYAJMOIA-SELCWUDQSA-N 385.416 3.055 30 40 GGEB O=S(=O)(/N=C(\O)C1(c2cccc(Cl)c2)CCOCC1)c1cccnc1 66002946 AOQMZVROLLNFLM-UHFFFAOYSA-N 380.853 3.129 30 40 GGEB Cc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C/c3ccccc3)n2)cc1 4795155 NSPCITKSZFOZJR-DEDYPNTBSA-N 381.461 3.340 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 32505747 XXZOEMOQMGNHMU-ZUIHOSHSSA-N 394.562 3.341 30 40 GGEB C#CCn1/c(=N/C(=O)c2c(F)cccc2F)sc2cc(NC(C)=O)ccc21 100875859 SKBBYLDQCBMIFG-NMWGTECJSA-N 385.395 3.314 30 40 GGEB CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1cccs1 11859812 XPBZOGHDQKRVNM-DVRQTUGZSA-N 384.529 3.491 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102856738 KFUJLKUSMMLATH-ASBLKLPYSA-N 399.468 3.357 30 40 GGEB O=S(=O)(ON(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1 3014202 JSVLKXRYBHAFMF-UHFFFAOYSA-N 389.454 3.202 30 40 GGEB COc1c2c(cc3c1[C@H](n1cc(CC#N)c4ccccc41)N(C)CC3)OCO2 20760569 IKJSVENQEYHAKN-QFIPXVFZSA-N 375.428 3.479 30 40 GGEB biogenic C#CCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2cc(Br)ccc21 2238109 VJVGSDNUUPNFEE-FQEVSTJZSA-N 395.256 3.455 30 40 GGEB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(C#N)cc1 3221707 ZCFUEVKJPWUQRR-UHFFFAOYSA-N 395.459 3.445 30 40 GGEB Ic1ccc(/N=C\c2ccc(N3CCOCC3)o2)cc1 409009387 FCJMFNYHQTUVNC-BOPFTXTBSA-N 382.201 3.471 30 40 GGEB COc1cc(/C=C2\SC(=N)[C@@H](c3nccs3)C2=O)ccc1OCC(=O)O 35105168 VLPFPFYWIUMDRO-IWFHXNARSA-N 390.442 3.033 30 40 GGEB CCOC(=O)[C@]1(C)/C(=N\Nc2ccccc2Cl)C(=O)C(=O)N1c1ccccc1 13120054 SNJFPRTZCVKAJF-MCIDSYJDSA-N 399.834 3.046 30 40 GGEB COC(=O)CC/N=C(\O)N1CCc2[nH]cnc2[C@H]1c1cccc(Cl)c1Cl 31809956 SCHAOIFLADMMHV-MRXNPFEDSA-N 397.262 3.141 30 40 GGEB CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@@H]1CCCc2ccccc21 32754810 KLUBMBFECJQDDD-HXUWFJFHSA-N 397.500 3.028 30 40 GGEB C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)o1 55742300 STIKINJFGCPPFO-LPHOPBHVSA-N 378.476 3.341 30 40 GGEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@@H]3O[C@]32C(C)=O)C1 118936639 IKTIOUOCDGDFJO-UDHGNGJMSA-N 388.504 3.476 30 40 GGEB N#Cc1ccccc1OCC(=O)Nc1nn2cc(-c3ccccc3)nc2s1 12630810 FKNZOPCJXAIDCA-UHFFFAOYSA-N 375.413 3.347 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1nc2ccccc2s1 12889589 GKTYLEBSPKEJSF-UHFFFAOYSA-N 380.473 3.064 30 40 GGEB Cc1nn(CC(=O)N2c3ccccc3CCc3ccccc32)c(=O)c(C#N)c1C 12983735 HLPVWQKNLWWRDN-UHFFFAOYSA-N 384.439 3.195 30 40 GGEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1ccccc1C(F)(F)F 408538180 YYNMKJQHBMARCW-SNVBAGLBSA-N 393.296 3.446 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1)[C@@H]1C[C@H]31 222367814 KFTVOWXKQNSPKK-MOJKJTTESA-N 376.387 3.473 30 40 GGEB C=CCNc1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)cs1 5040269 QLSVBGLKBPPENB-QMMMGPOBSA-N 385.367 3.342 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1)c1ccc(F)cc1 15919952 KAJHJDPCGBHYNO-MRXNPFEDSA-N 375.783 3.050 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205893 CHXDJKBOMLWTBC-QKKBWIMNSA-N 388.427 3.408 30 40 GGEB COC(=O)C1=C(C(=O)c2ccccc2)C(=O)C(=O)N1c1cccc2ccccc12 2500926 RCJDCWJOHPITDT-UHFFFAOYSA-N 385.375 3.066 30 40 GGEB Cc1ccc2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1 4848902 JXJRGAQRWOVFNH-UHFFFAOYSA-N 388.452 3.492 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccc(C)cc1 2699557 RDHMHAOZWPIYSX-CEVXTBJXSA-N 388.470 3.435 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O 59418103 YGZVTVHLYVKAJL-PDGQHHTCSA-N 380.375 3.053 30 40 GGEB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@H]1c1ccc(C#N)cc1 105093634 WBBSAPMQMHMYGR-INIZCTEOSA-N 383.860 3.315 30 40 GGEB CC[C@H]1CS/C(=N\c2ccccc2)N1C(=O)c1nc2nc(C)cc(C)n2n1 103028809 IIAWWTRDZMDYEE-AYAKEVCGSA-N 380.477 3.396 30 40 GGEB Cc1cc(=O)oc2cc(NC(=O)NCCNc3cccc(F)c3C#N)ccc12 57958591 NSHHPMWDSUTJNM-UHFFFAOYSA-N 380.379 3.346 30 40 GGEB COc1cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1OC 408750828 SFFUQOUBHADBMY-REZTVBANSA-N 381.186 3.216 30 40 GGEB N#Cc1cccc(NC(=O)CSc2nnc(-c3n[nH]c4ccccc34)o2)c1 13865529 RHUARJBVILIQSZ-UHFFFAOYSA-N 376.401 3.215 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 408912401 QQDJXVVRBCXXAV-CHHVJCJISA-N 381.142 3.417 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)cc1 408795030 UMLGZFZWVIBNCR-UZNZLNSGSA-N 383.444 3.103 30 40 GGEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218430783 AYESGKZOPWKLQS-YESZJQIVSA-N 382.268 3.435 30 40 GGEB N#Cc1ccc(CN2CC[C@@H](NC(=O)N3CCCC4(CCCC4)CC3)C2=O)cc1 596582251 FRSACTDPHZWNAD-HXUWFJFHSA-N 394.519 3.415 30 40 GGEB CCN/C(S)=N/N=C/c1cc(Br)c(O)c(Br)c1 6205776 QZFDHXIMYOBBAR-LHHJGKSTSA-N 381.093 3.146 30 40 GGEB C=CCN(C(=O)CN1C(=O)CCOc2ccccc21)c1nc2c(s1)CCCC2 26770196 VLZOMUSCYZWJEA-UHFFFAOYSA-N 397.500 3.357 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCCc1ccc(N2CCCC2)cc1 17155783 JHDGKAUAUBYJSK-UHFFFAOYSA-N 396.878 3.109 30 40 GGEB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 7605509 OBZFDVQGYGMELF-UHFFFAOYSA-N 393.428 3.297 30 40 GGEB C=CCn1c(SCC(=O)N2C[C@H](C)O[C@@H](C)C2)nnc1C1CCCCC1 7987452 WFDMXWDXJRCHCX-GJZGRUSLSA-N 378.542 3.240 30 40 GGEB N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCC2 102440330 JLUAVKKEKXEQKB-KBPBESRZSA-N 385.489 3.002 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCCc1ccc(F)cc1 12660021 MMPZDIHKVXWPMI-OBGHECQKSA-N 387.495 3.485 30 40 GGEB biogenic C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 12998064 WNVXPWHENFUXSF-FQEVSTJZSA-N 378.819 3.432 30 40 GGEB Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(Cl)c(Cl)c2)c1O 13865733 IWDXXTGTBGEVLM-KPSZGOFPSA-N 385.276 3.215 30 40 GGEB N#CCSc1ccccc1NC(=O)Cn1cnc2ccc(Cl)cc2c1=O 6590403 JEJAVHFYTNKEBU-UHFFFAOYSA-N 384.848 3.304 30 40 GGEB CCOC(=O)c1c(NC(=O)c2ccc(C#N)cc2F)sc(C(=O)OC)c1C 4815458 SBEVXURURWKJKX-UHFFFAOYSA-N 390.392 3.283 30 40 GGEB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 5931589 XGOMQKYHOWLTLN-HNNXBMFYSA-N 382.489 3.122 30 40 GGEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccco3)C2)c1 5413558 JHVVHZIDCVXQQQ-FUHWJXTLSA-N 385.423 3.239 30 40 GGEB biogenic,in-vitro C/C(=N/N)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 17215073 XKEMNIJCNUTONK-FDBWJDPASA-N 379.460 3.143 30 40 GGEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc2c(c1)CCC2 7564415 NDYYAFWSNSHYKZ-AWEZNQCLSA-N 376.412 3.456 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)[C@H]1CCc2ccccc21 58217398 NQRITKQBBQQBDV-NRFANRHFSA-N 375.472 3.475 30 40 GGEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(C[C@@H]2CCCO2)c1C 8194193 RSKVJRSDYONXBT-SFHVURJKSA-N 378.476 3.157 30 40 GGEB C=CCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)N2CCOCC2)cc1 19897847 NCJAPEYENDXHEV-JOCHJYFZSA-N 396.487 3.063 30 40 GGEB N#Cc1ccc(CSCC(=O)Nc2ccccc2CN2CCC(O)CC2)cc1 95451289 BUBFGHYRMLWANW-UHFFFAOYSA-N 395.528 3.387 30 40 GGEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)cn1 225916810 LATVDXZJOKITIO-UHFFFAOYSA-N 384.432 3.345 30 40 GGEB COc1ccc(-c2nc(NCc3cc(OC)ccc3OC)nc(O)c2C#N)cc1 40130057 GABAPIQVZGXGPG-UHFFFAOYSA-N 392.415 3.359 30 40 GGEB Cc1cccc(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 8481193 FEAPGAXOXTWGPI-UHFFFAOYSA-N 385.489 3.246 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102799265 GASNEIZRCURDTR-UYAGBXLBSA-N 393.439 3.296 30 40 GGEB C#CCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 22762922 VDNKLSDJSOEOIW-UHFFFAOYSA-N 397.283 3.086 30 40 GGEB CCC[C@H](C)NC(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 12755930 LZYJOIXZORGZGW-ZDUSSCGKSA-N 397.504 3.185 30 40 GGEB C/C(=N/OCc1nc2c3c(C)c(C)n(CCCO)c3ncn2n1)c1ccccc1 13623762 SETPNLWHWKPCIF-MYYYXRDXSA-N 392.463 3.019 30 40 GGEB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)[C@@H]1C=Nc1ccccc1 408529050 BXHUBGDBYNADRS-CQSZACIVSA-N 386.205 3.051 30 40 GGEB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409376175 VLFPPEKTEKGCMJ-SEJMYLSOSA-N 383.429 3.153 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccco1 6785061 ZLFBZQRYQJGXTQ-SELCWUDQSA-N 386.448 3.335 30 40 GGEB Cc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c2ccccc2n1 5864550 MRBXFOCUIXFIQT-UHFFFAOYSA-N 390.355 3.119 30 40 GGEB COc1cccc(C(=O)O/N=C2/C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)c1 33709730 AKWPZSQPRJNJRY-JEHRSMSHSA-N 398.362 3.441 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1F 4742173 IDCLMHRSHQOAAB-MNVSYLFESA-N 397.402 3.212 30 40 GGEB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1c1nc(C#N)c(NCCN2CCOCC2)o1 27562284 WRKOWFGIIUZZAU-BXUZGUMPSA-N 385.295 3.349 30 40 GGEB COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1C[C@H]1CCCO1 794998 KDKAVGSJRVYLBF-FZKQIMNGSA-N 383.400 3.046 30 40 GGEB C=CCn1c(CCNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 4943183 LNTQQTNOGVPRMR-UHFFFAOYSA-N 395.459 3.221 30 40 GGEB COc1cc([C@H]2NC(=O)N(N)C(C)=C2C(C)=O)ccc1OCc1ccccc1 6202429 TUUCDVHIUKOEOQ-HXUWFJFHSA-N 381.432 3.077 30 40 GGEB COc1ccccc1[C@H]1NC(=O)C(=O)/C1=C(/O)c1ccc(Br)cc1 102863996 JMAXIZKLEACJPF-DPEHCCBOSA-N 388.217 3.167 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102892001 BKMJZMICAZTSLF-HVESIFNPSA-N 375.359 3.242 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1 102926870 IJCCKAFMIUYWIN-SELCWUDQSA-N 375.384 3.313 30 40 GGEB N#Cc1cccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)c1 12195250 LXIPWJLOZRSLCN-UHFFFAOYSA-N 389.864 3.394 30 40 GGEB N#Cc1ccc(C(=O)O[C@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 16208368 VQPUFZBZUZBCFG-SFHVURJKSA-N 380.375 3.076 30 40 GGEB CCC(=O)/N=C(\NCCc1c[nH]c2cc(OC)ccc12)Nc1nc(C)cc(C)n1 5274250 MHCRLQWDTZWKTQ-UHFFFAOYSA-N 394.479 3.120 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 6607428 FXNKWEIGJZAHJN-HXUWFJFHSA-N 399.472 3.212 30 40 GGEB CCCCNC(=O)N(O)[C@H]1N(/N=C/c2ccccc2O)C(=S)SC1(C)C 4795024 LKEJRQHWIYWHOR-HIPSJFSSSA-N 396.538 3.365 30 40 GGEB O=C(/C=C/c1cn(C[C@H](O)CN2CCOCC2)c2ccccc12)c1cccs1 19901308 KNSVPMPQEKEHRK-LKGOPFMKSA-N 396.512 3.292 30 40 GGEB O=S(=O)(NCC#Cc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F 79017652 RCSVTUFZCROASD-UHFFFAOYSA-N 375.318 3.314 30 40 GGEB O=C(O/N=C\c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33347305 PLIHQMCBPVPWFZ-PXNMLYILSA-N 394.137 3.456 30 40 GGEB COc1ccc2[nH]c(=O)c(/C=C3\Cc4cc(OC)c(OC)cc4C3=O)cc2c1 85876537 BIUOILNKRHBXSX-RIYZIHGNSA-N 377.396 3.376 30 40 GGEB biogenic C/N=C1/S/C(=C\c2cccc(OCc3cccc(C(=O)O)c3)c2)C(=O)N1C 5517097 RAKLFLODJXALSG-YBLIXAOFSA-N 382.441 3.496 30 40 GGEB CC(C)c1cccc(NC(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1 22059357 ZZBYSDOSUAYMSC-JOCHJYFZSA-N 390.443 3.087 30 40 GGEB C/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1/N=C/c1ccc(NC(C)=O)cc1 12601323 YVWBRSAFBRDITD-YUVZERDRSA-N 395.444 3.496 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@H]2c2ccc(N(C)C)cc2)cc1 4092656 RMICAPWZOKDYBH-QRWLVFNGSA-N 394.471 3.020 30 40 GGEB C=CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccncc1 4292308 JSSYIRAHCHOTMR-OAHLLOKOSA-N 398.488 3.226 30 40 GGEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)o1 8209462 XGKRNPTVXPJXOF-UHFFFAOYSA-N 375.450 3.091 30 40 GGEB C=CCOc1ccccc1/C=N/N=C1/NC(=O)[C@@H](Cc2cccc(OC)c2)S1 6458103 SHDSQOXJRRXHIH-VZMFNRANSA-N 395.484 3.424 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccc(C)c1 4519848 IBNBUSXPQSLBSG-UHFFFAOYSA-N 386.506 3.330 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C(/N=N/c2ccc(C(=O)O)cc2)c2ccccc2)n1 4813303 LYGOOYSZLYPAOV-CSAACTGVSA-N 376.376 3.334 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(C)ccc21 32103022 YUNDARUXYJJQQL-HSZRJFAPSA-N 382.423 3.438 30 40 GGEB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 226420794 RZUWRAFWFCFTQI-YFNLYYAESA-N 391.383 3.386 30 40 GGEB COc1cc(/C=C/C(=O)OCc2cn3cc(C)ccc3n2)ccc1OCC#N 16250459 SQMIFPOFXVOYIO-VMPITWQZSA-N 377.400 3.310 30 40 GGEB NC(=O)/C(=N\OC(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 16778628 LAHUBGHTMQOVJB-DEDYPNTBSA-N 375.793 3.103 30 40 GGEB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)[nH]2)cc1 7605506 LFQLOWHTKPPDKB-UHFFFAOYSA-N 392.444 3.033 30 40 GGEB C=CCn1c(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104682564 JJTSQVQWMIWBHB-WBTNSWJXSA-N 398.532 3.011 30 40 GGEB C[C@H]1CCCC[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13056654 HLTJXQFBTZVWLO-BBRMVZONSA-N 394.566 3.022 30 40 GGEB CC(C)N(CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12)C(C)C 22457694 MJHAVTISRMMQFD-XPRTXTSQSA-N 392.584 3.222 30 40 GGEB CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4328593 JKVXZISQSJLZAM-BRWVUGGUSA-N 395.507 3.157 30 40 GGEB C=C(C)CN(CC)C(=O)/C(=C\c1ccc(OC)c(OC)c1)n1ccccc1=O 13896000 FGCQURKOGPGQBD-QGOAFFKASA-N 382.460 3.288 30 40 GGEB N#CCc1ccc(OC[C@H](O)CNCC2(N3CCCCC3)CCCCC2)cc1 39978415 IKTJLHBCPBLLJS-OAQYLSRUSA-N 385.552 3.271 30 40 GGEB O=C1N[C@@H](c2ccc(F)cc2)C(C(=O)c2ccc(Br)cc2)=C1O 5446509 ACQNBMYEXFRNFK-AWEZNQCLSA-N 376.181 3.454 30 40 GGEB CCc1ccc(CC)c(C(=O)CN2C(=O)N[C@](C)(c3ccc(C#N)cc3)C2=O)c1 6845950 YLZQXBPXAJUGNQ-HSZRJFAPSA-N 389.455 3.333 30 40 GGEB Cc1c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)n2c(nc3ccccc32)c1C#N 5881562 AIRFPUGREFPZAD-AUEPDCJTSA-N 382.383 3.293 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)[C@@H]1CC=CCC1 15719189 CJPJNBULCZFBCT-OAHLLOKOSA-N 375.494 3.232 30 40 GGEB CCOc1cc(Br)c(/C=N/N2C(=O)CSC2=S)cc1OC 409342708 CHQLUAHGAUPCOP-GIDUJCDVSA-N 389.296 3.051 30 40 GGEB C=CCNC(=O)Nc1nc(CSCC(=O)Nc2ccc(OC)cc2)cs1 36709089 IIBOYMVPXWDDLG-UHFFFAOYSA-N 392.506 3.331 30 40 GGEB C=C(C)CN(CC)C(=O)CNc1cccc(C(=O)N2CCSCC2)c1C 60320288 CXNPMZHLODHQNH-UHFFFAOYSA-N 375.538 3.021 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NCC1(c2ccccc2)CCOCC1 16974415 QXBIKPFDEXVZQT-UHFFFAOYSA-N 397.862 3.015 30 40 GGEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccnn3C(C)C)c2C#N)C1 36701770 LNDKHPYHWFBFHY-UHFFFAOYSA-N 387.465 3.164 30 40 GGEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C=N/CCCN(CC)CC 100163170 KFJHQFCRLHSTKO-RCCKNPSSSA-N 387.484 3.177 30 40 GGEB C=CCOc1c(Br)cc(/C=N/NC(=S)NCC)cc1OCC 7008388 PEQCHCSKZPZZAF-VCHYOVAHSA-N 386.315 3.231 30 40 GGEB CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N(C)Cc1cccc(C#N)c1 26329677 WSLIMTVMTQWQNO-KRWDZBQOSA-N 392.503 3.038 30 40 GGEB C=CCOC(=O)c1cc(-c2ccc(/C=C3/NC(=S)NC3=O)o2)ccc1Cl 4150988 SMIWRILWBDJESB-NTEUORMPSA-N 388.832 3.288 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 9234409 WQZVNFNIQRVVCK-CQSZACIVSA-N 397.862 3.247 30 40 GGEB Cc1c(OS(C)(=O)=O)ccc2c1O/C(=C/c1cn(C)c3ccccc13)C2=O 9423036 SCNGFEALELBMAB-VCHYOVAHSA-N 383.425 3.441 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224755859 HBKWLZSDPLUGDO-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB N#Cc1ccc(N[C@@H]2CCCN(C(=O)c3oc(C4CC4)nc3C(F)F)C2)nc1 1123943186 MDZNDGZJELSUPU-CYBMUJFWSA-N 387.390 3.473 30 40 GGEB Cc1ccccc1/N=C1\SCCCN1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 12869543 HBEUOTJCFSKKHQ-CKXBDKALSA-N 389.546 3.402 30 40 GGEB CCN1CCN(c2ccc(C(=O)/C=C/c3ccc(O)c([N+](=O)[O-])c3)cc2F)CC1 16389391 HDAXMJJPJPYLPN-XVNBXDOJSA-N 399.422 3.478 30 40 GGEB C[C@@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 4214003 AQKQDPGSWSFRHL-DZDRLISQSA-N 378.484 3.005 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)[C@H]2c2cccnc2)cc1 102649182 XPUWOTQFIMLFCU-WOOAAIBNSA-N 387.395 3.112 30 40 GGEB COc1ccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)cc1 2393222 PTUDQDSARMYDDI-UNOMPAQXSA-N 381.384 3.142 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409145054 QXICOONNEGINKS-LDADJPATSA-N 393.443 3.268 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218385200 QRNWOCVUAQFZNO-LZLYRXPVSA-N 375.833 3.183 30 40 GGEB Cc1noc(C)c1CCC(=O)NCC#CCOc1cccc(C(F)(F)F)c1 90610455 QRCCPZKDKTUXPP-UHFFFAOYSA-N 380.366 3.441 30 40 GGEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 13569696 YGOZFZNWYQVBBT-JFENUBAZSA-N 396.395 3.420 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(S(=O)(=O)N(C)C)cc1 7980336 YVWHBSOOCNCKJQ-UHFFFAOYSA-N 398.937 3.480 30 40 GGEB C#CCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 37085011 HXUCLQGECIVVRS-SIKLNZKXSA-N 376.456 3.237 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 9259774 UMGDRECAKJDPDP-SFQUDFHCSA-N 378.384 3.043 30 40 GGEB C=CCN(Cc1cccs1)S(=O)(=O)c1ccc(N2CCCC2=O)cc1 22197356 LASUEQWEOYYFFC-UHFFFAOYSA-N 376.503 3.252 30 40 GGEB CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)c1ccc(Cl)nc1)=C2 48489904 ORKDFQJNOHQMJU-UHFFFAOYSA-N 394.836 3.255 30 40 GGEB COc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1 13116390 KCNVABCHNAWYPA-BWORXHKJSA-N 387.436 3.424 30 40 GGEB Cc1nc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)c(C(N)=O)c(C)c1C 14244624 ABNBQSYHGCZERF-UHFFFAOYSA-N 388.880 3.362 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)cc1 6813267 HCELGSIXCYVLCY-IBGZPJMESA-N 397.427 3.378 30 40 GGEB N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@H]2Cc2ccc(F)cc2)c1 500676800 ILZJVVKHNPNRFD-SFHVURJKSA-N 376.428 3.373 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 32507198 WIOYGERIOHGROO-UOOAFGRTSA-N 394.562 3.341 30 40 GGEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C/c2ccc(OC)c(O)c2)C1=O 97998958 BZEHOUWZMUUDQN-SFQUDFHCSA-N 381.384 3.228 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 11372930 NVTGWXWGOPTNKL-UHFFFAOYSA-N 385.489 3.160 30 40 GGEB Cc1cccc(CN2CCC3(CCN(C(=O)C4(C#N)CCCC4)CC3)C2=O)c1 2055785127 JUZXSPYCLSBGDE-UHFFFAOYSA-N 379.504 3.420 30 40 GGEB COCC/N=C(/S)N(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 8690227 SZSUPBWIOOVIOW-UHFFFAOYSA-N 375.494 3.033 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H]2CC(=O)N(Cc3ccccc3)C2)n1 52778673 LHAQPGNAIYDWJS-HNNXBMFYSA-N 391.431 3.117 30 40 GGEB N#CCCN(CCC#N)C(=O)COC(=O)c1ccc(SC(F)(F)F)cc1 22886618 KZZLCOFZOIXPQM-UHFFFAOYSA-N 385.367 3.111 30 40 GGEB C=CCn1c(SCc2nc(N)c3ccccc3n2)nc2ccsc2c1=O 12646159 KQSIIGWIHDDXHP-UHFFFAOYSA-N 381.486 3.462 30 40 GGEB CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)c1 4541123 NXULSDPGKSCOEJ-GOSISDBHSA-N 385.416 3.293 30 40 GGEB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 8634852 YLHYQFKAVZFBEI-SFHVURJKSA-N 384.233 3.288 30 40 GGEB CCOc1cc([C@H]2NC[C@H](C(=O)O)S2)ccc1OCc1ccccc1C#N 408979845 SSICHYXSXAGNKD-MOPGFXCFSA-N 384.457 3.324 30 40 GGEB Cc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)cc1 409207275 QWSLJCCOOFDWJF-WDZFZDKYSA-N 375.359 3.420 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 408619913 OJWJWINXPYQNLZ-MRXNPFEDSA-N 388.489 3.353 30 40 GGEB N#Cc1ccc(N2CCC([C@H]3CCCCCN3C(=O)C3CCOCC3)CC2)nc1 69745059 RLDYSDLPORGPAU-OAQYLSRUSA-N 396.535 3.367 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1 4855650 VQFZJDDLSXFOTO-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB C=CCOc1ccc(C(=O)N2[C@@H]3CC[C@@H]2CC(O)(c2cccnc2OC)C3)cc1 100172241 XDVTXTLWWWSEKX-QZTJIDSGSA-N 394.471 3.310 30 40 GGEB COc1ccc(C(=O)C2=Cc3cc(OC)c(OC)cc3CCN2C)cc1OC 62001541 NSGTZGFSUQOHSN-UHFFFAOYSA-N 383.444 3.433 30 40 GGEB biogenic C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1 62268482 XKUWRBNGVXVCSX-MRXNPFEDSA-N 391.475 3.043 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 14086009 OMNWFACLKBUBGK-LJQANCHMSA-N 398.467 3.101 30 40 GGEB CC(=O)[C@H](Cc1ccccc1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 7060425 MDNZMESQIUKZCG-IBGZPJMESA-N 381.501 3.287 30 40 GGEB CC(C)[C@H](C#N)N1CCN(C(=O)CSc2ccc(Br)cc2)CC1 95394333 UPPRSMBEPKYPNK-INIZCTEOSA-N 396.354 3.234 30 40 GGEB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccc(C#N)cc2)CCO1 96116726 FCBXJOKJNXLPGA-PBHICJAKSA-N 398.488 3.365 30 40 GGEB COCCC/N=C(\S)N1CCCN(c2nc3cc(C)ccc3cc2C#N)CC1 13556085 KWVSMQKJLWHKMV-UHFFFAOYSA-N 397.548 3.249 30 40 GGEB COc1cc2c(cc1OC)CN(C(=O)COc1ccc(C#N)cc1Cl)CC2 7857553 XTYIJBNOMVGBEB-UHFFFAOYSA-N 386.835 3.193 30 40 GGEB C=CCOc1ccc(/C=N/N=C2/NC(=O)[C@@H](Cc3cccc(OC)c3)S2)cc1 9012765 HQSAZRXGEQXHKF-VZMFNRANSA-N 395.484 3.424 30 40 GGEB CCOC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409102182 VCXYWOCSJJEFLR-NUGSKGIGSA-N 397.353 3.497 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccco2)/C1=C(\O)c1ccc(F)cc1 104190490 PWSGXGWDCFBMEB-GHNGSUTGSA-N 395.390 3.127 30 40 GGEB CCSc1nnc(/N=C(\O)C2=NN(Cc3ccccc3)C(=O)CC2)s1 40128581 YAAPSYDLUWNKIP-UHFFFAOYSA-N 375.479 3.417 30 40 GGEB COc1cccc2[nH]c3c(=O)n(/N=C/C4=CC[C@H]5C[C@H]4C5(C)C)c(=O)[nH]c3c12 101127191 NYSNJBQMKSVCSG-UQAJYCAGSA-N 378.432 3.006 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)/C1=C(\O)c1cccs1 102805478 PNYDAZDLUQTMIS-GROYHEBESA-N 377.425 3.160 30 40 GGEB Cc1ccc(-n2c(=C(C#N)C#N)s/c(=C\c3cccc(Cl)c3)c2=O)c(C)c1 3298887 WHHOYGTVPFIZQT-GRSHGNNSSA-N 391.883 3.196 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H](C)C(C)C)nc2sc(CC)cc2c1=O 3417720 WZCKNWURWLKHOD-LBPRGKRZSA-N 379.551 3.459 30 40 GGEB Cc1ccc2nc(C3=C(N)N(c4cccc(Br)c4)CC3=O)[nH]c2c1 5182848 KWDSAERUILFBLO-UHFFFAOYSA-N 383.249 3.350 30 40 GGEB C/C(=N/CCCN1CCOCC1)c1c(C)nn(-c2nc3ccccc3s2)c1O 17122624 LJEAFIDTIMXUBN-STZFKDTASA-N 399.520 3.027 30 40 GGEB C=C(C)CN(CC)C(=O)COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O 6428067 RYCQYKWACXZWQB-UHFFFAOYSA-N 391.423 3.043 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(O)cc1 6621551 MBOMPKGQVGZXQS-IBGZPJMESA-N 397.427 3.016 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1c(F)cccc1F 35324003 VCRMHOGKYWSGAY-INIZCTEOSA-N 377.387 3.455 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 32506153 YTBRRPASBNGMLU-ZNWLFMFGSA-N 394.562 3.341 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)NCCOc1ccc2c(c1)CCC2 40157027 MBSPUSDHSPOPPS-UHFFFAOYSA-N 380.444 3.020 30 40 GGEB N#Cc1cc(C#N)c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc1N 19809632 FDLUYSKVAMELHT-UHFFFAOYSA-N 377.351 3.157 30 40 GGEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccccn2)s1 13721324 MEAZGXLBKKUOGZ-CQSZACIVSA-N 396.428 3.432 30 40 GGEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc(OC)c1OC 20085960 CZVXHFGIUBQERJ-OAHLLOKOSA-N 399.447 3.342 30 40 GGEB Cn1c(SCc2cc(O)n3ncc(C#N)c3n2)nnc1-c1ccc(Cl)cc1 40114128 WEBPUFPTKDYOIO-UHFFFAOYSA-N 397.851 3.048 30 40 GGEB C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2CCOC)cc1 102493251 RDEZBKKYORPHKF-WOOAAIBNSA-N 397.427 3.221 30 40 GGEB CN1C2=C(C(=O)CCC2)C(c2ccc(OCC(=O)O)cc2)C2=C1CCCC2=O 409064610 IADMLAXOXBNNHL-UHFFFAOYSA-N 381.428 3.193 30 40 GGEB C/N=C1/S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)C(=O)N1C 408928432 BESJMUBIFOFWPH-QTFLQNGUSA-N 383.473 3.413 30 40 GGEB CCN1C(=O)/C(=C/c2ccccc2)S/C1=N\S(=O)(=O)c1cccs1 13843789 NXYBGHIJYXTCCA-BIXSNLIQSA-N 378.500 3.429 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N2CCCCCC2)c(/N=C/N(C)C)c1 5897151 WNQKVSXXRLDSBV-CAPFRKAQSA-N 380.558 3.319 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(C)C[C@@H]2CCOC2)n(-c2cccc(F)c2)c1C 79020422 FDVOUGZHIWEEHM-INIZCTEOSA-N 384.455 3.012 30 40 GGEB N#Cc1c(NC(=O)CN2CCN(c3ccccc3F)CC2)sc2c1CCCC2 36697098 AAALZXPNAWLHQG-UHFFFAOYSA-N 398.507 3.398 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(OC)cc2)cc1)S(C)(=O)=O 44845537 YQRNQTJCHBDAOG-OAHLLOKOSA-N 388.489 3.138 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc(C#N)c3)C2)c1 260825420 GBVJFDKJLIFUIL-SFHVURJKSA-N 397.500 3.215 30 40 GGEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)Cc1ccccn1)C2 585106883 KKBHSNFPVUJQPP-DEOSSOPVSA-N 399.498 3.334 30 40 GGEB COc1cccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 100418338 FQPKTZWQTAJCCH-YJBOKZPZSA-N 390.439 3.171 30 40 GGEB C=CCc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)cc(OCC)c1O 981830 MNPVVKHJDKXJRU-KBVGCWLLSA-N 391.445 3.117 30 40 GGEB Cc1ccc(-n2nc(C)c(/C=N/NC(=S)NC[C@H]3CCCO3)c2Cl)cc1 7779591 JKTZFZHPFUOMKJ-UGVMZYNRSA-N 391.928 3.120 30 40 GGEB Cc1cc(I)ccc1/N=C\c1ccc(OCC(N)=O)cc1 408905323 XFFGQBIMNSIMNF-OCKHKDLRSA-N 394.212 3.214 30 40 GGEB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2cccc(C#N)c2)ccc1Cl 7974372 CHTNSDLBQCKHJC-UHFFFAOYSA-N 391.880 3.494 30 40 GGEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccccc1F 409406600 KMARFHACWTWWTO-HZVDNRATSA-N 377.419 3.374 30 40 GGEB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 70691626 FTBAMSZTFXXEOD-JWVNYWEGSA-N 398.499 3.180 30 40 GGEB biogenic C=CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2cccc3nsnc23)cc1 19107522 KNJRSRKJPKOYLX-DHZHZOJOSA-N 395.440 3.451 30 40 GGEB O=C(Oc1cccc(/C=N/NS(=O)(=O)c2ccccc2)c1)c1cccc(F)c1 408886788 JCTXXXCTLGOMNA-HYARGMPZSA-N 398.415 3.357 30 40 GGEB O=C(COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1)Nc1ccccc1 408911429 NGXYRYGDAGQGIT-UUYOSTAYSA-N 391.387 3.453 30 40 GGEB Cc1cccc(-n2nc(C(=O)O)c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)c1 409204448 HPXLIYLHIRYZDV-YFHOEESVSA-N 375.359 3.420 30 40 GGEB CCOc1ccccc1/C=N\N1CCN(/N=C/c2ccccc2OCC)CC1 17422626 BJVRABABNAJECB-QFFDILLMSA-N 380.492 3.470 30 40 GGEB COc1ccc2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc2c1 2087046255 DXIWISZRSSNXHU-HUUCEWRRSA-N 377.473 3.144 30 40 GGEB C=CCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc4C3)ccc2c1=O 10274368 JWDAIHFCRBRIEU-UHFFFAOYSA-N 377.469 3.444 30 40 GGEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1)C1CCCCC1 5307209 ROYVTCJARCSFKX-YUMLTWSLSA-N 396.509 3.007 30 40 GGEB CCCCOc1ccccc1/C=C1/SC(N2CCN(CCC#N)CC2)=NC1=O 20029366 UCNQZPOEEFCFQJ-KNTRCKAVSA-N 398.532 3.367 30 40 GGEB Cc1cc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c(C)n1-c1ccc(F)cc1 7706454 XKWPMARBXOKGPQ-NRFANRHFSA-N 385.439 3.445 30 40 GGEB NC1=C(c2ccc(I)cc2)C(=O)c2ccccc2C1=O 1283121 OOGKFOBSDVJHFJ-UHFFFAOYSA-N 375.165 3.040 30 40 GGEB COc1cc2c(cc1OC)CN(CC(=O)Nc1cc(Cl)ccc1C#N)CC2 5346574 LGMNNNVGPHRLOZ-UHFFFAOYSA-N 385.851 3.226 30 40 GGEB CNC(=O)N(O)[C@@H]1N(/N=C/c2c(F)cccc2Cl)C(=S)SC1(C)C 4795032 UYDOWVVNHQCTFT-TUVHXFJTSA-N 390.893 3.282 30 40 GGEB O=S(=O)(C[C@H]1CCCCO1)/N=C(\O)c1cnc(Cc2ccc(F)cc2)s1 66232279 JZJHUIVZKJYUHQ-CQSZACIVSA-N 398.481 3.077 30 40 GGEB Cc1nn(CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c(C#N)c1C 7384324 IOEUBEXIFBCMCG-UHFFFAOYSA-N 384.745 3.043 30 40 GGEB COc1ccc(CN/N=C/c2cc(Br)c(O)c(OC)c2)cc1OC 20195755 BQJLFRUMAPNERU-KEBDBYFISA-N 395.253 3.304 30 40 GGEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCOc1ccc2ccccc2c1 46084787 JPVIMFYKHXXOTR-VZCXRCSSSA-N 377.356 3.352 30 40 GGEB Cc1nn(C(N)=S)c(O)c1[C@H](c1cccc(Cl)c1Cl)C(C#N)C#N 95011306 MXKSEOIYHZCNOO-LBPRGKRZSA-N 380.260 3.091 30 40 GGEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2cccc(Cl)c2)C1=O 13573392 JWYDICDOACHPLZ-HNNXBMFYSA-N 384.848 3.463 30 40 GGEB C=CCN1C(=S)N[C@H](c2ccc(F)cc2)C(C(=O)Nc2cc(C)on2)=C1C 10354463 ADFIXVBNIULSGI-QGZVFWFLSA-N 386.452 3.452 30 40 GGEB Cc1nc2ccccc2c(=O)n1/N=C/c1ccccc1I 3347094 XEUQURYYHHUVPG-VCHYOVAHSA-N 389.196 3.192 30 40 GGEB Cc1cc2c(cc1CNC(=O)Cn1cc(C#N)c3ccccc31)OCCCO2 64987188 XBABXSUWKWVTPS-UHFFFAOYSA-N 375.428 3.299 30 40 GGEB Cc1cccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1C 39935295 IDCZRAANIUQIKM-UHFFFAOYSA-N 376.504 3.322 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(CC)s2)nnc1-c1ccccc1 4814696 FCRAOQWXUUXPAH-UHFFFAOYSA-N 386.506 3.276 30 40 GGEB CSc1nc(NCCCN2CCOCC2)c(C#N)c(-c2ccc(C)cc2)n1 19820727 VJKAZDBWVCJHHD-UHFFFAOYSA-N 383.521 3.180 30 40 GGEB N#Cc1c(N)nc2c(c1-c1ccccc1C(F)(F)F)c(=O)nc1sccn12 19874523 GJDDITFTZQBNQB-UHFFFAOYSA-N 387.346 3.444 30 40 GGEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2cc(Br)ccc2[nH]1 72301888 LQRAUMCQASZNRR-UHFFFAOYSA-N 391.250 3.306 30 40 GGEB COc1cccc2cc(C(=O)NCC3CCN(c4ncccc4C#N)CC3)oc12 70929273 CGDCSKXQISQTBD-UHFFFAOYSA-N 390.443 3.354 30 40 GGEB C=CCOc1ccc(NC(=O)C2(S(=O)(=O)N(C)c3ccccc3)CC2)cc1 225939819 ZFYSVOZOKKZLGB-UHFFFAOYSA-N 386.473 3.189 30 40 GGEB CCOc1ccccc1/C=N\Nc1nncn1/N=C\c1ccccc1OCC 5467079 DEOSHTWIKLALAA-GOIUUMNHSA-N 378.436 3.404 30 40 GGEB N#CC1(C(=O)N2CC[C@H]3OCCC[C@]3(COCc3ccncc3)C2)CCCC1 1565543037 JHSGEMCAZUXEJV-DENIHFKCSA-N 383.492 3.080 30 40 GGEB COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 4087982 RWBIPIUHWVWIJW-DBUGVXSJSA-N 399.531 3.353 30 40 GGEB C=CCN1C(=O)[C@]2(CC(=O)Nc3c2cnn3-c2ccccc2)c2cccc(C)c21 32105964 BUIKTXGJGKKLRO-HSZRJFAPSA-N 384.439 3.342 30 40 GGEB NC(=O)c1cc(C2=NN/C(=N\c3cccc(C(F)(F)F)c3)SC2)ccc1O 12554826 SNXFALKLNQFDCX-UHFFFAOYSA-N 394.378 3.238 30 40 GGEB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc(C#N)cc1 5326691 LMPVNEGGTDLNBO-LLVKDONJSA-N 385.445 3.379 30 40 GGEB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2)C(=O)Nc1ccccc1C#N 8716220 XYCUUTGUXFJNIB-RYUDHWBXSA-N 395.440 3.175 30 40 GGEB O=[N+]([O-])c1ccccc1/C=N/n1c(S)nnc1-c1cc(-c2ccccc2)n[nH]1 9244077 PFTXTRRHJSIQCX-YBFXNURJSA-N 391.416 3.414 30 40 GGEB COc1cccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(C#N)c2)c1 5895485 SLZIFBVEXVZZHY-CYBMUJFWSA-N 379.445 3.267 30 40 GGEB O=C(CC1CCCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 15894498 KWZWRKYEOGAXSW-BPNFLLTHSA-N 392.546 3.258 30 40 GGEB COc1ccc2nc(NCCNC(=O)c3c(F)cccc3F)c(C#N)cc2c1 35313921 SBRLVCBANNWRIO-UHFFFAOYSA-N 382.370 3.235 30 40 GGEB COc1ccccc1CNC(=O)CO/N=C/c1cc(Cl)c(OC)c(OC)c1 5470028 ZEHFSNGJRKKUTP-LSHDLFTRSA-N 392.839 3.033 30 40 GGEB C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 40089595 JUWCXBLNQDROQH-KBRIMQKVSA-N 377.448 3.089 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[nH]c(=O)c2[C@H]1c1ccncc1 100951324 CSBJOLRNCIZLBR-HNNXBMFYSA-N 396.472 3.004 30 40 GGEB COc1ccccc1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 6623805 AQSSCMNLIVYIHH-OOXVLWBOSA-N 385.504 3.312 30 40 GGEB N#CCC(=O)Nc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1Cl 7653480 ZTQGAKRQTJMIKP-UHFFFAOYSA-N 389.770 3.127 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 7735303 QNEKWPSIQMVCKH-UHFFFAOYSA-N 387.321 3.175 30 40 GGEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1CC 16809813 MISDRCOKHUFENO-DOXHGZAWSA-N 398.326 3.426 30 40 GGEB C=CCSc1nnc(NC(=O)c2nn(CCC)c(=O)c3ccccc23)s1 6997110 BXGLGQHCOAHQLN-UHFFFAOYSA-N 387.490 3.188 30 40 GGEB C=CCNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409143621 DAIRDBYPAJXILJ-UHFFFAOYSA-N 392.908 3.454 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl 32634719 AWKUXAYIZMUFIG-AAGTZJIKSA-N 393.317 3.005 30 40 GGEB C=CCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@H]1COc1cccc(C(F)(F)F)c1 249698709 WGEQXZNEIQPTCQ-DUVNUKRYSA-N 375.412 3.453 30 40 GGEB C#CCCC1(CCNC(=O)c2cn3c4c(cc(F)cc4c2=O)CC[C@@H]3C)N=N1 1150161404 HXRLCJXLRYWJHM-ZDUSSCGKSA-N 380.423 3.343 30 40 GGEB CC(C)Oc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)cc1 1889148948 YCLFFGIZVCXWQL-ICSRJNTNSA-N 376.460 3.091 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1cccs1)C2=O 20533538 KCJRYGOLDUIUEM-PDGQHHTCSA-N 389.473 3.165 30 40 GGEB COc1ccccc1NC(=O)N1CCC(CNC(=O)c2cccc(C#N)c2)CC1 44004704 FKKFRRJLOZVWHI-UHFFFAOYSA-N 392.459 3.241 30 40 GGEB N#Cc1cc(C#N)c(SCc2cc3c(cc2Br)OCO3)nc1N 23805910 RGWVBSUEDGBEJK-UHFFFAOYSA-N 389.234 3.191 30 40 GGEB COc1cc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)cc(Cl)c1OC 45100326 LPVHBORFRWSTRW-UHFFFAOYSA-N 387.816 3.331 30 40 GGEB N#Cc1ccc(OCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8230552 QQPSUAZBTPFDLN-LJQANCHMSA-N 378.428 3.462 30 40 GGEB N#Cc1c(SCC(=O)NC[C@H]2CCCO2)nc2c(c1-c1ccco1)CCCC2 12968930 ZYHIIGFUJFHCOB-CQSZACIVSA-N 397.500 3.479 30 40 GGEB COc1cc(Br)c(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc1OC 5526564 ACQBQSCGXXFDRY-QGMBQPNBSA-N 376.210 3.387 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055060 LPWLGDPEPPTFOT-AOIWGVFYSA-N 389.860 3.353 30 40 GGEB O=C(O)COc1ccc(Br)cc1/C=N\Nc1ccc([N+](=O)[O-])cc1 33674256 YTIHAXUFEZCORW-IUXPMGMMSA-N 394.181 3.267 30 40 GGEB N#CC1(c2ccccc2)CCN(C(=O)c2ccc(OC[C@@H]3CCCO3)nc2)CC1 390825860 JQOYYVOJYPYGHQ-FQEVSTJZSA-N 391.471 3.337 30 40 GGEB N#Cc1ccccc1COc1ccc(Br)cc1/C=C1/NC(=O)NC1=O 1053733 NWKPPLDUYSTTNM-OVCLIPMQSA-N 398.216 3.080 30 40 GGEB C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)CC[C@H]1N1CCN(C)CC1 579946183 BUCDTWRTFPLORY-HNAYVOBHSA-N 383.927 3.222 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2F)o1 6813275 HIDRFUCJPXJTJT-INIZCTEOSA-N 379.347 3.300 30 40 GGEB COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc12 4583547 OEEGJUQFZJZOPS-UHFFFAOYSA-N 392.484 3.447 30 40 GGEB Cc1ccc(-c2csc3ncn(CC(=O)NC4(C#N)CCCC4)c(=O)c23)cc1 5318214 RSKFMFVACVSTTI-UHFFFAOYSA-N 392.484 3.386 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nc2ccccc2c1=O 6636386 MRLNRDHVASTIHP-UHFFFAOYSA-N 394.500 3.379 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 32505657 WWVDWCUUBCSLKG-RHDHSSKXSA-N 380.535 3.095 30 40 GGEB COc1cccc(-c2nc(C#N)c(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)o2)c1 138157552 HPLMNLKPEQASHK-GOEBONIOSA-N 388.427 3.007 30 40 GGEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1 95116739 ZFLOXPTZCKVXFU-KRWDZBQOSA-N 394.456 3.262 30 40 GGEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1I 5918136 UHLSBRXKKSBPPQ-UHFFFAOYSA-N 378.169 3.424 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CC(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1 6813015 MUVPQAFQDFJUAU-QGZVFWFLSA-N 385.803 3.311 30 40 GGEB COc1cc(/C=N\N=C\c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 4748488 DDYCVNVXONZPBT-ZCJKAFFOSA-N 388.420 3.191 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCc3nnsc3Cl)nnc12 21245917 CFOQODPQYKTIKE-UHFFFAOYSA-N 390.881 3.027 30 40 GGEB Cc1cc(/C=C2/C(=O)NC(=O)N=C2O)c(C)n1-c1sc2c(c1C#N)CCCC2 970875 YJYAAIIXHRYTHZ-UHFFFAOYSA-N 394.456 3.496 30 40 GGEB CC#CC[C@@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O 58503212 CTPOHARTNNSRSR-XOABDVOSSA-N 398.499 3.286 30 40 GGEB CC(C)[C@H](NS(=O)(=O)c1ccccc1C#N)c1ccc2c(c1)OCCCO2 12991718 YORHMCWRXOINEN-FQEVSTJZSA-N 386.473 3.395 30 40 GGEB C[C@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 65453371 OWNLJVSMVXNAKR-CQSZACIVSA-N 378.457 3.287 30 40 GGEB Cc1cn2c(/C=C/C(=O)c3ccc(OCC(=O)N(C)C)cc3)c(C)nc2s1 8705537 CACLUHQXJLWAEB-MDZDMXLPSA-N 383.473 3.376 30 40 GGEB C=CCS(=O)(=O)c1ccc(C)c(NCC(=O)Nc2cc(F)ccc2C)c1 9220341 YFDCGXJELHHLAA-UHFFFAOYSA-N 376.453 3.453 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccccc2F)nc2ccsc2c1=O 9691193 UFSXCLJBBCIYGW-UHFFFAOYSA-N 389.477 3.192 30 40 GGEB COc1cc(/C=N/O)cc(Br)c1OS(=O)(=O)c1ccccc1 409065023 KIXUANUCNGXTMV-CXUHLZMHSA-N 386.223 3.034 30 40 GGEB C=CCN(CC=C)C(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(F)cc2)CC1 101500941 XHNAYLIARFFABX-CALCHBBNSA-N 394.512 3.111 30 40 GGEB O/C(COc1ccc(F)cc1Br)=N\c1nc(C(F)(F)F)n[nH]1 36744362 AEJVETYUEPKKHP-UHFFFAOYSA-N 383.099 3.392 30 40 GGEB COC(=O)[C@H](c1ccccc1Cl)N1CCN(Cc2ccc(C#N)cc2)CC1 24825618 TZCWGAKSJXWOPS-FQEVSTJZSA-N 383.879 3.244 30 40 GGEB COc1ccc(C(=O)C2CCN(C(=O)COc3ccc(C#N)cc3)CC2)cc1 12740726 HQTDKLRAQWLDBX-UHFFFAOYSA-N 378.428 3.067 30 40 GGEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccnc2)cc1 13127335 RXTKTDKJDFNEIE-LJQANCHMSA-N 396.443 3.095 30 40 GGEB N#CC1(NC(=O)COC(=O)CCC(=O)c2ccc(Cl)s2)CCCCC1 4460854 RUUCBBFATVJFQJ-UHFFFAOYSA-N 382.869 3.250 30 40 GGEB CCSc1nc2n(n1)[C@H](c1ccc(OC)cc1OC)C1=C(CCCC1=O)N2 4436225 DDJDXSIBVQWAGB-QGZVFWFLSA-N 386.477 3.429 30 40 GGEB O=C(C[C@H]1S/C(=N\N=C2CCCCCC2)NC1=O)Nc1ccccc1F 5450562 FBEUGYHAKAAKEI-OAHLLOKOSA-N 376.457 3.452 30 40 GGEB COC(=O)C[C@H](C1=C(O)CC(C)(C)CC1=O)c1cc2cc(OC)ccc2[nH]c1=O 524730257 BJFMFSAGIRETLR-AWEZNQCLSA-N 399.443 3.385 30 40 GGEB biogenic Cc1nnc(/N=C2/S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)s1 4797379 MSVOZSDPLJXIDR-LBYPNCLISA-N 375.504 3.450 30 40 GGEB Cc1ccc(NC(=O)N2CCc3c(CC#N)cccc3C2)cc1S(C)(=O)=O 599761008 DLUGODZDFMQXIW-UHFFFAOYSA-N 383.473 3.055 30 40 GGEB CCOC(=O)/C(=N\Nc1ccccc1)C1=NC(=O)/C(=N/Nc2ccccc2)S1 5472355 BZTWALPVRRODKZ-RMLDCLRESA-N 395.444 3.115 30 40 GGEB COc1ccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)cc1 20111756 VWCLOXJNETWOIX-DBZAVIBRSA-N 384.432 3.230 30 40 GGEB biogenic CCOC(=O)Cc1csc(S[C@H](C)C(=O)Nc2ccccc2C#N)n1 7507885 WKNRKBIKKBNGKT-LLVKDONJSA-N 375.475 3.240 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 58101483 VYPIDTIXZISSFA-GFCCVEGCSA-N 381.457 3.287 30 40 GGEB COCCCCN1C(=O)[C@H](Oc2ccc(C#N)cc2)[C@@H]1c1cccc(OC)c1 58154904 MMOGLIZLNKXXLL-LEWJYISDSA-N 380.444 3.324 30 40 GGEB Cc1ccccc1/C=C/C(=O)c1ccc(S(=O)(=O)NCCCC(=O)O)cc1 12758951 JXWKQRQLZVKEDU-JLHYYAGUSA-N 387.457 3.034 30 40 GGEB C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1F 4735892 FGQQUPUYLPYFNR-UHFFFAOYSA-N 375.454 3.458 30 40 GGEB CN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1 4739646 BNAIEQVDLRMYME-IECUCWQJSA-N 395.484 3.463 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9639854 RJDUERVBKFMTKH-UHFFFAOYSA-N 393.443 3.476 30 40 GGEB CCOc1cc(/C=C/c2nc(O)c(C#N)c(COC)c2[N+](=O)[O-])ccc1OC 409196445 VPKYVNDJAVUAJZ-FNORWQNLSA-N 385.376 3.291 30 40 GGEB CN1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)C1 39097616 RZSZIUWKHOTPLG-OTYYAQKOSA-N 379.372 3.485 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(F)c1 32635464 JXZXVKQMBBVWAI-SJTPKYKMSA-N 398.525 3.172 30 40 GGEB C[C@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ncc(Cl)cc1Cl 2653062 VBZPWSNQVJDDSN-JTQLQIEISA-N 394.214 3.209 30 40 GGEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2642302 PANARCUMBPVHAX-UHFFFAOYSA-N 375.475 3.047 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 5190280 CCUKDGHFNXHKNL-NSHDSACASA-N 392.477 3.296 30 40 GGEB COc1cc(/C=N/NC(N)=S)ccc1OCc1ccc(Br)cc1 6005088 OYPHVQUPVDDFTL-DJKKODMXSA-N 394.294 3.204 30 40 GGEB CCCC(=O)N1CCN(c2oc(/C=C/c3ccccc3OC)nc2C#N)CC1 21799711 BOAJBXXYCDCJPW-MDZDMXLPSA-N 380.448 3.174 30 40 GGEB Cc1cc(C)n2nc(CCCNC(=O)[C@H](C)Sc3ccccc3)c(C#N)c2n1 48236097 GNMRGMAUESLCQH-INIZCTEOSA-N 393.516 3.447 30 40 GGEB N#Cc1ccccc1S(=O)(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 12944247 KLUNRHFXDHYYTP-UHFFFAOYSA-N 375.837 3.139 30 40 GGEB Cc1ccc(-c2csc(C3=C(N)N(NC(=O)c4cccs4)CC3=O)n2)cc1 6550563 BPGMEAPZLZLSQL-UHFFFAOYSA-N 396.497 3.037 30 40 GGEB C#CCOc1c(Cl)cc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 5646252 KYUJPGWGIDFCMY-BOPFTXTBSA-N 396.855 3.131 30 40 GGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N\c3ccc4c(c3)OCCO4)NC2=O)cc1 6826127 NNONZHJGMUNBMU-KRWDZBQOSA-N 397.456 3.014 30 40 GGEB C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1OC 16734313 PXYOBZQJNATTQH-QGZVFWFLSA-N 376.478 3.004 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(C[C@@H]2CCCO2)c1C 9593331 JZNYQWAUAPPNCP-KRWDZBQOSA-N 386.521 3.288 30 40 GGEB CCCCCCCCNC(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1 408976395 QYSJROYVXSZIBY-UHFFFAOYSA-N 380.448 3.368 30 40 GGEB Cc1cn2c(/C=C/C(=O)c3ccc(NS(C)(=O)=O)cc3)c(C)nc2s1 58381510 RKAQEQDUZSYXSJ-CMDGGOBGSA-N 375.475 3.280 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1)S(C)(=O)=O 22532264 QADHTUNUAVLQHQ-FQEVSTJZSA-N 384.501 3.446 30 40 GGEB Cc1nc(S[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c(C#N)c(C)c1C 7188632 VJHZSAYYQOBDAD-AWEZNQCLSA-N 380.473 3.344 30 40 GGEB C=CCOc1cc(OC)ccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408877507 VMPTZWHCVDCOKU-ATVHPVEESA-N 394.452 3.091 30 40 GGEB C=CCNc1nc(C(=O)OCC(=O)N(CCC#N)c2cc(C)cc(C)c2)cs1 7980590 JODSBVGUEZAELJ-UHFFFAOYSA-N 398.488 3.462 30 40 GGEB COCCn1c(SCC(=O)NC2(C#N)CCCC2)nc2cc(Cl)ccc21 24048658 DLEJZTINLHLOBK-UHFFFAOYSA-N 392.912 3.381 30 40 GGEB COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1 4028501 XUUAJBGMSDFLAK-NGJIECEZSA-N 385.504 3.312 30 40 GGEB biogenic COc1cccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@H]2c2ccncc2)c1 5408837 ADMRJTPSSMQVTO-INIZCTEOSA-N 393.424 3.330 30 40 GGEB N#CCCN(C(=O)COC(=O)CCC(=O)c1cccs1)c1ccc(F)cc1 9048707 WGYFVPMVPHDKCH-UHFFFAOYSA-N 388.420 3.340 30 40 GGEB C#Cc1cccc(NC(=O)CNC(=O)N[C@H]2C[C@H](OCC)C23CCCCC3)c1 97012481 AUTMZSWBNQIYOM-OALUTQOASA-N 383.492 3.034 30 40 GGEB CCOc1cc(/C=N\O)cc(I)c1OCc1cccnc1 226321580 OTEIQTQGBXNTBQ-NVMNQCDNSA-N 398.200 3.472 30 40 GGEB C=CCN(Cc1nc2sc(C(=O)OC)c(C)c2c(=O)[nH]1)Cc1cccs1 14233991 JHACYHKNRAPNPX-UHFFFAOYSA-N 389.502 3.329 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC(C)=O)c(OC)c1 19799698 DRRWQWXLYUIXDC-HXUWFJFHSA-N 399.443 3.152 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 102541821 RNHWRCDFSRXSCJ-LFVOPCPISA-N 381.428 3.072 30 40 GGEB C=CCc1ccccc1OCCOc1ccc(/C=N/n2cnnc2)cc1OC 2878788 PLDIHXRGKGRTJN-ZVHZXABRSA-N 378.432 3.355 30 40 GGEB COc1cccc(/C(C)=N\NS(=O)(=O)c2ccc(Br)cc2)c1 23411124 ASGUKSLHCCHDQC-BOPFTXTBSA-N 383.267 3.160 30 40 GGEB C[C@@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)Nc1sccc1C#N 25111086 VEGNPPPYJREFAV-OTYXRUKQSA-N 376.821 3.147 30 40 GGEB COc1ccccc1C(=O)ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 3646882 XUOLAGHFEIGMAG-UHFFFAOYSA-N 392.323 3.125 30 40 GGEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1 5799841 KDHUKQMDHZGILD-NHFXJNLRSA-N 394.471 3.069 30 40 GGEB COc1ccccc1CNC(=O)[C@H](C)O/N=C/c1ccc(OC(F)F)cc1 15367330 ISRMXIYBVRJROG-HKNSOBRKSA-N 378.375 3.352 30 40 GGEB C=CCc1cc(/C=N\NC(=S)Nc2ccccc2)cc(OC)c1OCC(=O)O 408851169 VWFDWQAQGPJOPG-MTJSOVHGSA-N 399.472 3.208 30 40 GGEB COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 13582900 GIJBBKJVURIRHU-PMPSAXMXSA-N 382.464 3.051 30 40 GGEB N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(Br)cc2)CC1 14095113 SHVXXAJTHHDKCW-GOSISDBHSA-N 384.277 3.472 30 40 GGEB N#Cc1ccc(CN2CCC(Cn3cnc4ccccc4c3=O)CC2)c(F)c1 1775972844 YIVDZUNSNVGPFH-UHFFFAOYSA-N 376.435 3.319 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccc(OC)cc2)sc2cc(C(=O)OC)ccc21 100874198 IZBCGAGBRVEIOV-MRCUWXFGSA-N 382.441 3.425 30 40 GGEB C=CCNC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 3176293 YJMUHPQABQJDJS-UHFFFAOYSA-N 399.299 3.491 30 40 GGEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1c[nH]c2ccccc12 7564427 YGIDTJUFJIQMJO-CYBMUJFWSA-N 375.384 3.448 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763618 YSTFJGKYYWGRIN-QGZVFWFLSA-N 375.523 3.488 30 40 GGEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-n3ccnc3)cc2)cc1 7900608 HSSQGNZXAKDEKH-LFYBBSHMSA-N 381.457 3.019 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1 5014457 DFBZQYFMPIWERE-IBGZPJMESA-N 381.428 3.310 30 40 GGEB N#CC1(c2ccccc2)CCN([C@@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 18093445 SBGYQVWRWHRDTG-LJQANCHMSA-N 377.419 3.015 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 5271828 LXLUPOPHDQQEKM-BPNFLLTHSA-N 392.546 3.041 30 40 GGEB COC(=O)c1[nH]c2ccc(F)cc2c1/N=C(\O)CCN1CCC(C(=N)O)CC1 82050122 JWTZLEGBGYZZQY-UHFFFAOYSA-N 390.415 3.319 30 40 GGEB Cc1ccc2nc(C3=C(N)N(c4ccc(Br)cc4)CC3=O)[nH]c2c1 8844106 HFINGHFAXUUFOY-UHFFFAOYSA-N 383.249 3.350 30 40 GGEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225031673 TZBWFPHLLPMHNU-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB C=CCS(=O)(=O)N1[C@H](COc2cccc(C(F)(F)F)c2)[C@H]2CC[C@@H]1C2 12219397 WGEQXZNEIQPTCQ-JGGQBBKZSA-N 375.412 3.453 30 40 GGEB C#CCN(CC(=O)N[C@@H](C)c1cc(OC)ccc1OC)Cc1ccc(C)cc1 60099524 KLOPUTNULNLTQG-SFHVURJKSA-N 380.488 3.325 30 40 GGEB COc1ccc2c(CC(=O)OCC(=O)[C@@H](C#N)c3nc(C)cs3)coc2c1 7777942 KTIUMVDZNZSXKC-OAHLLOKOSA-N 384.413 3.169 30 40 GGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2cc(Br)ccc21 783821 VEVPQYNODQMPCH-IBGZPJMESA-N 386.245 3.442 30 40 GGEB CN(C)/C=C1/S/C(=N/S(=O)(=O)c2cccs2)N(C2CCCCC2)C1=O 100973180 BVRGSDBANJJEIB-OJWGMWDRSA-N 399.563 3.104 30 40 GGEB CSc1nc(O)c(C(=O)Nc2ccc(-n3ccnc3C)c(F)c2)cc1C#N 57555099 XLQYXOQRQGORJX-UHFFFAOYSA-N 383.408 3.266 30 40 GGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 12780484 FSWCBCSATPRQQX-GOSISDBHSA-N 384.233 3.288 30 40 GGEB C=CCn1c(CNC(=O)c2cc(OC)c(OC)c(OC)c2)nc2ccccc21 13030967 IEVYFCJEJPSXBJ-UHFFFAOYSA-N 381.432 3.178 30 40 GGEB C[C@H](Sc1nnc(N)s1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313076 QHOXYFFAYRRCCH-QMMMGPOBSA-N 379.536 3.442 30 40 GGEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947542 GPAKZKJHAPQGFL-JOCHJYFZSA-N 385.508 3.176 30 40 GGEB CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2ncccn2)CC1 30882571 NORRWAIKVCXRDR-AABGKKOBSA-N 381.524 3.284 30 40 GGEB biogenic,in-vitro Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccc(C)cc2)cc1 19904209 BHJNMYCQSOGRCY-LJQANCHMSA-N 379.412 3.356 30 40 GGEB CCc1nnc(NC(=O)CSc2nc(C)cc(C(F)(F)F)c2C#N)s1 1052085 ACEVPNCYGAWHLK-UHFFFAOYSA-N 387.412 3.425 30 40 GGEB C[C@]12CC[C@H]3[C@H](CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)C1=CC[C@H]2c1ccc(=O)oc1 6624488 GINUJYZEMXGGKW-JHQYPRIESA-N 398.499 3.341 30 40 GGEB biogenic CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1F 4742171 IDCLMHRSHQOAAB-YRVVQQKDSA-N 397.402 3.212 30 40 GGEB COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc(Cl)c1OC 9817452 UDXNPGKMVAQKAG-LLVKDONJSA-N 388.807 3.413 30 40 GGEB CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 95980241 JPRFDKFIVUITGS-MRXNPFEDSA-N 379.464 3.117 30 40 GGEB C#CCOc1c(Br)cc(/C=C2\SC(=O)N(C)C2=O)cc1OC 408816856 URKUYCUIKQQPGQ-WQLSENKSSA-N 382.235 3.136 30 40 GGEB C#CCOc1ccc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1OC 409081848 IDGZUPNRYRBGBQ-FMNVXAMXSA-N 389.498 3.087 30 40 GGEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 16741157 WSKVDUFPDVJNBH-BCHHYXHLSA-N 386.926 3.050 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 18044875 AVHHGEOUXVWJLN-YWZLYKJASA-N 395.455 3.353 30 40 GGEB COc1cc(Cl)c(C)cc1N1CC(=O)C(c2nc3ccccc3n2C)=C1N 5182955 KANYUHNPAUCLJD-UHFFFAOYSA-N 382.851 3.260 30 40 GGEB C=CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3SC)n2)cc1 15081663 KBFHLCLYSYUYGT-UHFFFAOYSA-N 381.461 3.266 30 40 GGEB COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1OC 22172568 FSVKUFTVQVFXJF-QGZVFWFLSA-N 390.399 3.126 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(C)c21 32074331 IMXMAVVHPBMZDZ-QHCPKHFHSA-N 382.423 3.438 30 40 GGEB C=CCn1c(N)c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc21 2357675 QFBUBHPEKAUSKV-UHFFFAOYSA-N 375.407 3.422 30 40 GGEB COc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(Cl)c(Cl)c1 5111304 VJYPXAAWJAYELD-DNTJNYDQSA-N 393.234 3.032 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 20445163 WENQFXRBZFZFHH-WMEZAZGNSA-N 380.535 3.033 30 40 GGEB C=CCc1ccc(OC[C@H](O)CN2CCOc3ccc(OC)cc32)c(OC)c1 72304945 ODUJYZVCKZBFGO-QGZVFWFLSA-N 385.460 3.071 30 40 GGEB C=CCOc1cccc(/C=C2\C(=O)N(C[C@@H]3CCCO3)C(C)=C2C(=O)OC)c1 408998518 QYLYXRLPJWGQKV-UZNZLNSGSA-N 383.444 3.103 30 40 GGEB C=CCOc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)cc1 219718399 JIELIOUQQPWKJE-UHFFFAOYSA-N 388.489 3.291 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32508258 OHKUZZUEQVOIOI-SMXHQDLGSA-N 380.535 3.095 30 40 GGEB N#Cc1ccc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c(F)c1 1849464419 CSUGRVBZKNUNIW-UHFFFAOYSA-N 394.425 3.459 30 40 GGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)C(=O)O1 24497003 XDYUVESKBCVLIM-KQIUPUNMSA-N 388.269 3.118 30 40 GGEB CC1CCN(C2=NC3(CCN(Cc4ccccc4)CC3)[C@H](C#N)C(O)=N2)CC1 20673311 PJIUFYBHIBFYLH-LJQANCHMSA-N 379.508 3.219 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1[N+](=O)[O-] 1817982 CTOJKYJWTQDTCO-HNNXBMFYSA-N 386.404 3.085 30 40 GGEB C=CCOc1c(Br)cc(/C=C2\NC(=S)N(CC)C2=O)cc1OC 409008243 XCGBXVXZWZUIPJ-WQLSENKSSA-N 397.294 3.100 30 40 GGEB COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c(OC)c1 3380363 SKVNOVQFAIXUCP-UHFFFAOYSA-N 385.489 3.196 30 40 GGEB O=C(Cc1ccc(F)cc1)N1CCC[C@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)C1 48234418 ZPRFGISJWVEVRL-NSHDSACASA-N 399.348 3.032 30 40 GGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3[C@@H]3O[C@@]132 4086302 DPJQDKPYAYDAMH-KBZKQCKASA-N 387.495 3.483 30 40 GGEB biogenic C=CCn1c(SCC(=O)N[C@H](C)c2ccco2)nc2ccsc2c1=O 9112657 IPJGSTUIVVGNJJ-LLVKDONJSA-N 375.475 3.207 30 40 GGEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)c(O)c(Br)c1 409352033 YAMCOEPIYXGXNT-UHFFFAOYSA-N 394.612 3.106 30 40 GGEB C/N=C1/S/C(=C\c2ccccc2OCc2cccc(C(=O)O)c2)C(=O)N1C 408854004 VJNXGVAJRQVWLX-YBLIXAOFSA-N 382.441 3.496 30 40 GGEB C/C=C/C1=CC2=CC(=O)[C@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 14594464 VRWFEVIVOZKBJA-BDNZGDGKSA-N 396.395 3.077 30 40 GGEB biogenic,in-vitro COc1ccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc2c1 2087046253 DXIWISZRSSNXHU-GASCZTMLSA-N 377.473 3.144 30 40 GGEB COc1ccccc1N1C(=O)[C@@H](C)S/C1=N/S(=O)(=O)c1ccccc1C 100975250 PLUKKJNHFDVWBU-NIVDNSEKSA-N 390.486 3.217 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2F)o1 102862060 QQLQRDCVZSVCQX-IBOXJLQUSA-N 379.347 3.143 30 40 GGEB CN(C(=O)CO/N=C(/N)c1ccc(Oc2ccccc2)nc1)c1ccccc1 57995533 FGXGBYXGVDMIMK-UHFFFAOYSA-N 376.416 3.174 30 40 GGEB CCCCN1C(=O)[C@@](NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 4019079 QOWNJJYHBGNUOO-GOSISDBHSA-N 386.414 3.099 30 40 GGEB CCC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 13510192 HKTSQTLHHOUEFS-UHFFFAOYSA-N 384.524 3.062 30 40 GGEB N#CCOn1c(N/N=C/c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 5093247 YSVPQLHKELGLBG-UFFVCSGVSA-N 388.214 3.101 30 40 GGEB COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@H](C)C#N)nnc23)cc1 4500313 XHOPOPUSLJMZDT-GFCCVEGCSA-N 377.429 3.046 30 40 GGEB COc1ccccc1/N=C1\S[C@H](C)C(=O)N1S(=O)(=O)c1ccccc1C 4966182 UYPNLKRUZFCPKI-LTFJSZEESA-N 390.486 3.344 30 40 GGEB CCCNc1ccc(C#N)cc1NS(=O)(=O)c1ccc(OC)c(OC)c1 78899984 HKLFIVMZICHYDY-UHFFFAOYSA-N 375.450 3.198 30 40 GGEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCCOc1ccccc1Cl 46084782 DNWQUSIYXHOJJF-MNDPQUGUSA-N 375.768 3.242 30 40 GGEB C=CCOc1cccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)c1 222554855 AWKQRDQAEHMGJC-UHFFFAOYSA-N 386.473 3.434 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OCC)cc1 224588592 NSNRWKVJTIZZRS-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB CSc1nnc(-c2ccccc2)n1/N=C/c1cc2c(cc1[N+](=O)[O-])OCO2 2734188 UBJMBDVFFLNEGR-GIJQJNRQSA-N 383.389 3.186 30 40 GGEB CCOc1cc(/C=C2/S/C(=N\c3ccccc3C(=O)O)NC2=O)ccc1O 101601676 TYNGCJXASWHBPX-MHWRWJLKSA-N 384.413 3.381 30 40 GGEB C=CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972541 CNEVLKNXSAJLDE-IGGDJGDASA-N 390.461 3.373 30 40 GGEB C=CCN1CC[C@]2(CN(Cc3ccc(OC)cc3)C[C@H]2c2nccs2)C1=O 306124664 BWBGTHLYOXKUDW-GHTZIAJQSA-N 383.517 3.156 30 40 GGEB Cc1cc(C(=O)OC[C@@H](C#N)Cc2ccc(F)cc2)ccc1N1CCNC1=O 65494079 HUFLACJFECGEGB-MRXNPFEDSA-N 381.407 3.203 30 40 GGEB Cc1ccc(C)c(C(=O)/C=C2\Nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3NC2=O)c1 4822008 POMDLOKRJMTKSF-ZSOIEALJSA-N 382.332 3.251 30 40 GGEB CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1 19999635 SJOJGVKPZKVKDC-LJQANCHMSA-N 398.459 3.208 30 40 GGEB C=CCc1cc(C(=O)N2CCC(c3n[nH]c4nccnc34)CC2)ccc1OC 19559145 RSHHGDINSWMTDI-UHFFFAOYSA-N 377.448 3.110 30 40 GGEB CCCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CCC)n2cnnc2S1 4518354 DOGKCXFRXLXYME-UHFFFAOYSA-N 386.477 3.395 30 40 GGEB CCCCc1ccc(S(=O)(=O)N/N=C\c2cc(OC)c(O)c(OC)c2)cc1 32575730 NAOAWPZCQNGIRI-MOSHPQCFSA-N 392.477 3.064 30 40 GGEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 103219348 RXEFEKFVTCJSBE-TVTNDZMWSA-N 384.476 3.197 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cnccn1 2376254 JJOIUCYJIUYISS-UHFFFAOYSA-N 386.868 3.305 30 40 GGEB N#C[C@H](c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccccc1 2399367 LXJATJNQASEKPX-GOSISDBHSA-N 378.457 3.269 30 40 GGEB CCOc1cc([C@@H]2NC[C@H](C(=O)O)S2)ccc1OCc1ccccc1C#N 408979849 SSICHYXSXAGNKD-RTBURBONSA-N 384.457 3.324 30 40 GGEB Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 18152342 VNMZMDMSIXNZSM-OEAKJJBVSA-N 387.443 3.022 30 40 GGEB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2ccc(C#N)cc2OC)c1 7017171 NCQXASBTKJSXKB-GOSISDBHSA-N 396.443 3.327 30 40 GGEB O=C(O)COc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Cl 409103128 AWILJUWMZCNEPE-NGYBGAFCSA-N 385.163 3.206 30 40 GGEB N#C[C@]1(CO)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218430537 AYESGKZOPWKLQS-IKGGRYGDSA-N 382.268 3.435 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl 32639271 ASGHMMKAUAVWKZ-AAGTZJIKSA-N 393.317 3.005 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 32506707 PQZCNCJPKDCYAK-RGEMVIMISA-N 380.535 3.033 30 40 GGEB N#Cc1ccnc(OCC2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1 1775969731 INJANWMRBHVLQK-UHFFFAOYSA-N 378.457 3.494 30 40 GGEB Cc1nnc(N2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c(C#N)c1C 29430066 VASVJWSLMRWHIT-UHFFFAOYSA-N 375.398 3.306 30 40 GGEB C=CCN(C(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1)c1nc2c(s1)CCCC2 7988161 RBOQZUHIQZLINT-SFHVURJKSA-N 397.500 3.355 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102856979 BRLWPSOOIPYXIC-LFVOPCPISA-N 390.395 3.305 30 40 GGEB CC1(C)NC(=O)N(CCCC(=O)Nc2cccc(C#Cc3ccccc3)c2)C1=O 24968620 MTDDDUDDRUQPDG-UHFFFAOYSA-N 389.455 3.136 30 40 GGEB N#Cc1cccc(CS(=O)(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)c1 108399947 ZAOQTABYHLCBMQ-SFHVURJKSA-N 394.855 3.254 30 40 GGEB CCOC(=O)CN1C(=S)N/C(=N\c2ccccc2C)[C@@]12CCOC(C)(C)C2 6463460 JKVFNRSDEHRFRI-FQEVSTJZSA-N 389.521 3.106 30 40 GGEB C=CCn1c(C)nnc1SCC(=O)Nc1ccccc1C(=O)NC1CCCC1 6908869 HXOGPHRDSOBCRD-UHFFFAOYSA-N 399.520 3.176 30 40 GGEB COc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408740592 HFBDMBNYSOQXCB-VYXQJKENSA-N 387.848 3.115 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1 223833036 DBALVMLXZRGUJU-UHFFFAOYSA-N 381.837 3.492 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccccc1 6621557 HWJPBKIRTLKNTL-IBGZPJMESA-N 381.428 3.310 30 40 GGEB N#Cc1c(OCC(=O)NCCc2ccccc2)nc(-c2ccco2)c2c1CCC2 32100391 ZFVZTGIBCIBBCH-UHFFFAOYSA-N 387.439 3.440 30 40 GGEB C[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)N(c1nccs1)C1CCCCC1 8728160 TZJJGQBHKWXXBZ-LLVKDONJSA-N 388.522 3.233 30 40 GGEB C=CCn1c(Cc2ccc(OC)c(Cl)c2)nnc1SCC(=O)OCC 27579257 FWTWSPHRYZSCHA-UHFFFAOYSA-N 381.885 3.372 30 40 GGEB O=C1CS/C(=N\S(=O)(=O)c2ccc(Cl)s2)N1C1CCCCC1 102921457 HJDKUXAZKBGWET-SQFISAMPSA-N 378.928 3.354 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)C(=O)NC1=S 408902332 NBVJYGURPJNNTE-QGOAFFKASA-N 392.480 3.387 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12761678 TZJCQLUFFQTYDV-RNODOKPDSA-N 384.505 3.266 30 40 GGEB C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 12785265 KBBMUZFBHTXLQR-UHFFFAOYSA-N 398.528 3.472 30 40 GGEB CCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccco2)c2cc(Br)ccc21 4555021 XSAHDRPUTVTXEY-DKFQHHCZSA-N 390.233 3.269 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCC[C@H]2CC)nc1C 7149705 NCIBKOVCRNQDED-OAHLLOKOSA-N 375.494 3.322 30 40 GGEB N#CCCN(CCC#N)C(=O)COc1ccc([N+](=O)[O-])cc1-c1cccs1 8726791 NKCAZDWIVYDHLD-UHFFFAOYSA-N 384.417 3.358 30 40 GGEB CCN(CC)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408740038 HYJBALPNRIPMBC-SDLXJUDFSA-N 394.500 3.299 30 40 GGEB Cc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)n1 5634739 YXBORJOAEYWTIB-UHFFFAOYSA-N 388.518 3.401 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccccc1 6621540 HWJPBKIRTLKNTL-LJQANCHMSA-N 381.428 3.310 30 40 GGEB CC(C)NC(=O)c1ccc(Cn2c(SCC#N)nc3ccccc3c2=O)cc1 12414601 CPOAUDFJASKFAK-UHFFFAOYSA-N 392.484 3.199 30 40 GGEB O=C1/C(=N/Nc2nccs2)C(c2ccc([N+](=O)[O-])cc2)=NN1c1ccccc1 100005694 BMTKJWXDAVWSPV-CAPFRKAQSA-N 392.400 3.270 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)cc1 3098410 NZQUEWAVLRAHMT-FQEVSTJZSA-N 399.487 3.489 30 40 GGEB O[C@H](CNCc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)F 100238851 JCPBHMJKUXYFQE-LLVKDONJSA-N 395.290 3.325 30 40 GGEB C=CCNC(=O)c1c(N)n(/N=C/c2cccc(C)c2)c2nc3ccccc3nc12 2376886 CQHDUUYKYIGCJS-DHRITJCHSA-N 384.443 3.273 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2cccnc2Cl)sc2c1CCCC2 3314004 DRUKNOIRYDMDCE-UHFFFAOYSA-N 375.837 3.342 30 40 GGEB CCc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(O)c(OC)c3)NC2=O)cc1 5234042 CHBCYHRUFSTZDN-IUOVYFEOSA-N 383.473 3.127 30 40 GGEB CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(C(=O)O)cc1 83316697 MEJCNWQUYRIVRC-DCVQPNPVSA-N 382.397 3.347 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cccnc1 9594959 ZMUBLTCCUOSTHB-UHFFFAOYSA-N 379.489 3.243 30 40 GGEB CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1 19999665 VCAMLOKOLVCOOZ-IBGZPJMESA-N 398.459 3.127 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@@H]2c1ccsc1 14944764 XQRURRVDYROTDP-VFVRVIDISA-N 385.441 3.135 30 40 GGEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)c1 1775972809 WSZSWSAKQGTONQ-OAHLLOKOSA-N 378.457 3.494 30 40 GGEB COc1cc(N[C@@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1=O 10185302 ZQVQUPHOAFHYOP-LBPRGKRZSA-N 384.461 3.194 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(=O)c2ccccc2o1 3226741 XOGVAGDOBKQNMF-UHFFFAOYSA-N 382.759 3.114 30 40 GGEB CC(=O)Nc1ccc(C(=O)CSc2nc(O)c(C#N)c(-c3ccco3)n2)cc1 13942938 PMOTUNSHLVNTSJ-UHFFFAOYSA-N 394.412 3.247 30 40 GGEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@@H]1c1ccco1 5347939 APEFJNLSJKAZDH-QGZVFWFLSA-N 388.383 3.477 30 40 GGEB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 18829393 VAGGZVYOOMNLBY-SFHVURJKSA-N 383.473 3.079 30 40 GGEB Cc1c(NCC#Cc2ccc(C(F)(F)F)cc2)cccc1C(=O)NCCO 89540429 UUWIHKIRFQXUAE-UHFFFAOYSA-N 376.378 3.200 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N\N=C/c2cccc(OC)c2OC)cc1 33330467 UNZWXBYGPSZAHE-RKDIDJBFSA-N 399.472 3.178 30 40 GGEB CCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@](F)(CC(F)(F)F)C1=NCCN1 97949682 GJAJOZGKSUZEQO-APPZFPTMSA-N 394.209 3.480 30 40 GGEB N#Cc1cc(NC(=O)C(=O)N[C@@H](c2ccccc2)c2ccccn2)ccc1Cl 48365165 BBKRYQVUIHNTPG-IBGZPJMESA-N 390.830 3.451 30 40 GGEB C=CCn1c(O)c(C(=O)Nc2ccccc2C(=O)OCC)c(=O)c2ccccc21 13116829 OZLZJFUCGITOSY-UHFFFAOYSA-N 392.411 3.322 30 40 GGEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(Cl)c1Cl)CC(=O)N2 4944275 OUWKLUMPPVUBAH-VIFPVBQESA-N 380.256 3.276 30 40 GGEB Cc1cc(C)n2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2n1 3392577 RASGVUHXUKAVIL-UHFFFAOYSA-N 398.517 3.284 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12986243 NIKPMUDIMFVWAY-GFCCVEGCSA-N 376.372 3.222 30 40 GGEB C[C@@H](/C=N/N=C(/S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 8687998 YDKUWDQBQNEKAB-ITRAFESCSA-N 390.534 3.424 30 40 GGEB COc1ccccc1-n1c(=O)c2ccccc2n2c(SCCC#N)nnc12 15241176 CGCJPJDTQRHCCL-UHFFFAOYSA-N 377.429 3.048 30 40 GGEB Cn1c(SCC(=O)c2ccc(C#N)cc2)nnc1-c1ccc2c(c1)OCO2 8882612 KOANITMBIIOHIA-UHFFFAOYSA-N 378.413 3.057 30 40 GGEB C#CCN(Cc1cccnc1)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 72269985 FZVJBQMXWQNZHJ-UHFFFAOYSA-N 397.500 3.465 30 40 GGEB CCOC(=O)[C@@H](C#N)[C@H](c1ccc(OC)cc1)N1CCN(c2ccccc2)CC1 31659635 JBJKHDDJGFHUBZ-VXKWHMMOSA-N 393.487 3.261 30 40 GGEB CN(C)c1ccc(/C=N/N=C2/NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)S2)cc1 4119002 MCWSPOUQBRKUCO-WYRLOYKNSA-N 395.444 3.255 30 40 GGEB O=C(/C=C\Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1 5260242 YAQMUAWVXLFRDA-CLFYSBASSA-N 386.458 3.147 30 40 GGEB O=CC[C@@H](O)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 4769178 MFDVHNZBVJVEJX-PKTZIBPZSA-N 376.452 3.306 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C 10541047 ZVZVJLAMHJOGLM-UHFFFAOYSA-N 389.459 3.237 30 40 GGEB Cc1cc(N)nc(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccco2)n1 8747445 XITRJTNBIGXFQV-UHFFFAOYSA-N 396.476 3.029 30 40 GGEB N#CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)cc1 7617149 TTXROSXJBKPREG-UHFFFAOYSA-N 390.472 3.472 30 40 GGEB CSC(=S)N/N=C(\C)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1 5846506 XMMVECJQUUJIMV-QGOAFFKASA-N 393.559 3.473 30 40 GGEB C=CCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc(OC)c1OC 19291454 WXYSUVGZOLCSMW-LIMIJEPZSA-N 397.519 3.180 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 29174002 WRHKKIGXXBEZQS-UHFFFAOYSA-N 397.454 3.473 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc(-n2cccc2)cc1 7372960 OUMUTNJYQWTZGE-UHFFFAOYSA-N 390.355 3.053 30 40 GGEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1S(=O)(=O)N1CCCC1 7881097 BNEQRTIQUYOZKD-UHFFFAOYSA-N 383.473 3.098 30 40 GGEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 625823 MWBHGKYASIJVAS-YJBOKZPZSA-N 383.400 3.046 30 40 GGEB Cc1cccc(/C=N\CCOCCOCC/N=C\c2cccc(C)c2O)c1O 104373720 BHNLOCFFOOFDHV-MPKYGIEOSA-N 384.476 3.286 30 40 GGEB N#Cc1c(NC(=O)Cn2cnc3sccc3c2=O)sc2c1CCCCC2 17480222 LNXUYJBUQJMFJJ-UHFFFAOYSA-N 384.486 3.299 30 40 GGEB CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409359035 MNIBVKUIPAPGBX-LBPRGKRZSA-N 382.376 3.070 30 40 GGEB C[C@@H](Oc1ccc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)O 32638467 IXRQBLBZXCUSNC-SFDYMUJDSA-N 398.440 3.004 30 40 GGEB COc1cccc(/C(CC(=O)O)=N\CCc2c[nH]c3ccccc23)c1C(=O)O 17158884 WPCPIRGKWXAMTC-XLNRJJMWSA-N 380.400 3.381 30 40 GGEB CC/N=C1\S/C(=C\c2cc(Cl)c(OCC(=O)O)c(OC)c2)C(=O)N1CC 59104585 PWQFJQYQIVQNEY-HEOMYIDWSA-N 398.868 3.124 30 40 GGEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccccc4F)c(=O)n3n2)cc1 2703807 ZJTGQJCLYZRCMV-ATVHPVEESA-N 379.416 3.070 30 40 GGEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37213034 JYQUFFCTWVHOBK-WMZOPIPTSA-N 376.460 3.236 30 40 GGEB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118928359 XQVPPASTQTXMTK-BJJNNOASSA-N 388.504 3.380 30 40 GGEB CCOP(=O)(OCC)/C(=N/OC(=O)c1ccc(Cl)cc1Cl)C(N)=O 2267338 ZUVYZBRPGHGYJJ-SFQUDFHCSA-N 397.151 3.215 30 40 GGEB C=CCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 12781774 MTLZWEHTWJPACO-JTQLQIEISA-N 392.506 3.027 30 40 GGEB Cc1sc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)c(C#N)c1C 13014823 LPFXVTMRFRTYSK-UHFFFAOYSA-N 397.909 3.393 30 40 GGEB C=CCn1c(SCc2nc(N)c3ccccc3n2)nnc1-c1ccncc1 8726029 SKMBNKCLUGBSTQ-UHFFFAOYSA-N 375.461 3.344 30 40 GGEB N#Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCCO3 35314355 YYSCMMZNYZCBFA-UHFFFAOYSA-N 384.442 3.065 30 40 GGEB N#Cc1cccnc1N1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32104403 QEGVHNMANGSXTA-GOSISDBHSA-N 395.850 3.036 30 40 GGEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OCC)cc1 224589844 BNXSBRHDAWITKP-UHFFFAOYSA-N 375.446 3.253 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OC 5745836 ARQOGOHKRZTDCJ-SFQUDFHCSA-N 392.411 3.235 30 40 GGEB C=CCn1c(CNC(=O)c2ccccc2)nnc1SCC(=O)c1ccccc1 6293534 MJCWKUJFUHQTRN-UHFFFAOYSA-N 392.484 3.369 30 40 GGEB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(C)cc1 7312582 MEKDXXHKUIOPOC-LJQANCHMSA-N 385.489 3.068 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 12393110 QUDJJNFOXZFFNV-SOFGYWHQSA-N 377.228 3.271 30 40 GGEB N#Cc1c(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)sc2c1CCC2 6383997 GETYUCLFSPETDO-UHFFFAOYSA-N 379.441 3.314 30 40 GGEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 20062772 ABFCYFJCDLLWKA-UHFFFAOYSA-N 376.503 3.149 30 40 GGEB C/C(=C\C(=O)c1ccc(Cl)cc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 6652316 YYBSXCZLQFODFH-CJEQXXIESA-N 390.823 3.019 30 40 GGEB CCOC(=O)c1cc(C#N)c(S[C@H](C(=O)N(C)C)c2ccccc2)nc1C 7503744 JLOPRUCYMZXAQR-KRWDZBQOSA-N 383.473 3.360 30 40 GGEB N#Cc1cc2c(N)c(C(=O)Nc3cccc(Br)c3)sc2nc1N 19852169 GNSDVWLTDCOTPP-UHFFFAOYSA-N 388.250 3.347 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)C1=S 408730393 QKVDYXHXJKVCRA-GHRIWEEISA-N 393.424 3.325 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409147851 NVWPGIJZQARVAE-LDADJPATSA-N 379.372 3.253 30 40 GGEB COc1c2c(cc3c1[C@@H](C/C(O)=C/C(=O)C(F)(F)F)[N+](C)(C)CC3)OCO2 1280064 OTBPTRIZACIXAM-GFCCVEGCSA-O 388.362 3.061 30 40 GGEB biogenic C#CCOc1ccc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)cc1OC 12113876 UQGHGHGCRBTNQE-INIZCTEOSA-N 378.432 3.008 30 40 GGEB COc1ccccc1CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@@H]4[C@H]12 100772928 DNRINTCEPXFLKL-UYAXVPHLSA-N 399.531 3.353 30 40 GGEB N#C[C@@H](C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1nc2ccccc2s1 41502823 RXYIOLLPYSJIPN-HNNXBMFYSA-N 389.436 3.435 30 40 GGEB Cc1c([C@H]2C(C(=O)c3cccs3)=C(C(F)(F)F)Nc3ncnn32)cnn1C 2806233 SXQJYTUYOYWKEC-LBPRGKRZSA-N 394.382 3.096 30 40 GGEB C=CCn1cc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c2ccccc21 57430711 JQFZVFMQUKJKTI-SFHVURJKSA-N 380.469 3.476 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccnc1 6498683 AOHIHRIWDXIRCH-LJQANCHMSA-N 396.443 3.013 30 40 GGEB CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2ccccc2O)C(=S)SC1(C)C 4795026 LKEJRQHWIYWHOR-YRIIZNAFSA-N 396.538 3.365 30 40 GGEB C=CCOc1cccc(C(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)c1 4943908 ZDFNHZSFLUTNTQ-UHFFFAOYSA-N 395.415 3.249 30 40 GGEB COc1cc(CCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc(OC)c1 7272017 YJDCNTJYGFYNEY-CQSZACIVSA-N 382.416 3.078 30 40 GGEB Cc1cc(C)n(-c2n[nH]c(=S)n2/N=C/c2ccc(Br)cc2)n1 7757076 JAGKZTGORVAIBC-LZYBPNLTSA-N 377.271 3.388 30 40 GGEB C/N=C1/S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1C 408930336 VQNHETSCZITKBK-NJPWYCGFSA-N 380.061 3.337 30 40 GGEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3C(=O)OC)NC2=O)ccc1O 13915049 KMZKVXWXIBRFDM-BOPFTXTBSA-N 398.440 3.469 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C(/CSC(N)=O)Nc2ccccc2C)cc1 4059154 CAQAWCSEAKACAZ-UHFFFAOYSA-N 377.491 3.315 30 40 GGEB N/C(=N\S(=O)(=O)c1ccc2ccccc2c1)NCCc1c[nH]c2ccccc12 13116742 WLHMPHXTNNZQDR-UHFFFAOYSA-N 392.484 3.157 30 40 GGEB N#CC(C#N)=c1ccc(=C(c2ccc(N3CCCC3)cc2)N2CCCCC2)cc1 3042497 LTGGPVXBNDPBAQ-UHFFFAOYSA-N 382.511 3.127 30 40 GGEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2\C=CC(=O)c3ccccc32)c1 6594100 NNRFENJMRZKJKH-ZBJSNUHESA-N 383.473 3.286 30 40 GGEB CCCCCCCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1 59103794 GEJFAVROTKSWPS-UHFFFAOYSA-N 378.513 3.229 30 40 GGEB biogenic CCCCn1c(SCC(=O)N[C@](C)(C#N)C(C)C)nnc1[C@@H](CC)N(C)C 2664376 YBBDFCGLBSZGTH-DNVCBOLYSA-N 394.589 3.237 30 40 GGEB COC1=N[C@]2(O)C[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]32S1 118936490 WOKYKYYRLSDRHQ-KYWYDSBTSA-N 391.533 3.050 30 40 GGEB N#Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)cc1Cl 6946480 SCMDXLHNZRIQRK-QHHAFSJGSA-N 384.775 3.135 30 40 GGEB CN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(=O)c1cccc(C#N)c1 7671247 WXHKYGOULTYEQM-UHFFFAOYSA-N 377.322 3.168 30 40 GGEB O=[N+]([O-])c1ccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1 9357116 NUYNQHVRMAOPJR-YBFXNURJSA-N 391.416 3.414 30 40 GGEB CC(C)c1cc(NC(=O)N(C)Cc2cccc(C#N)c2)n(-c2ncccn2)n1 97164583 HRMRTRPJVNSKBY-UHFFFAOYSA-N 375.436 3.321 30 40 GGEB COC(=O)[C@H](Sc1[nH]c(=N)c(C#N)cc1C#N)c1ccccc1C(F)(F)F 543960576 IEAVYIQJEXNGOT-CYBMUJFWSA-N 392.362 3.263 30 40 GGEB O=C1Nc2ccccc2/C1=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1 22911964 IENXPWLDDAEWSQ-UHFFFAOYSA-N 384.442 3.017 30 40 GGEB in-vitro C=CCNC(=O)N1CCN(Cc2nc3ccccc3n2Cc2ccccc2)CC1 38489441 CNSXUIGCBRYPEK-UHFFFAOYSA-N 389.503 3.098 30 40 GGEB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(CC#N)cc3)CC2)cc1 226095274 FWQAQJZANOUZMH-UHFFFAOYSA-N 377.444 3.252 30 40 GGEB COc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)c1 102929383 LRWPZPGNBUMHFS-QVRGASTFSA-N 399.468 3.357 30 40 GGEB N#CCCCOc1cccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 55568004 INGBTOQNMXNHJW-UHFFFAOYSA-N 376.416 3.177 30 40 GGEB C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(OC)cc1 12698973 SXYJJPNAOHRRJD-UHFFFAOYSA-N 388.489 3.127 30 40 GGEB COC(=O)[C@H](C)Oc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1OC 4339872 QEPXSKAXSNSZOZ-ZTPSMGMTSA-N 384.384 3.260 30 40 GGEB biogenic C=CCc1cccc2cc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c(=O)oc12 4426521 PHUAVMOPVZMLOC-UHFFFAOYSA-N 393.351 3.469 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408708506 JEEJWHYKLQEZQN-UHFFFAOYSA-N 385.508 3.262 30 40 GGEB CC(C)Cc1nnc(/N=C(\O)C2=C(c3ccccc3)S(=O)(=O)CCO2)s1 31818304 OJCKEIWQTVRWAF-UHFFFAOYSA-N 393.490 3.138 30 40 GGEB N#C[C@]1(C=O)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 225643297 SNTUKNOLCVFLLZ-IKGGRYGDSA-N 390.258 3.098 30 40 GGEB C=CCOC[C@@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C(=O)O 262965150 JMNWYOQJGDQXNA-CYBMUJFWSA-N 399.369 3.022 30 40 GGEB COc1ccc2c(c1)CCC[C@@]2(O)C#C[C@@]1(O)CCCc2cc(OC)ccc21 17287958 MHOMBPPRCDOIMK-PSWAGMNNSA-N 378.468 3.455 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 18009239 ONEKQBKAEGRGBZ-UHFFFAOYSA-N 378.881 3.077 30 40 GGEB CCOC(=O)/C(=N/Nc1ccc(C)cc1)Sc1nnnn1-c1ccc(C)cc1 1821818 QSIIDEAKIOJSEV-FXBPSFAMSA-N 396.476 3.360 30 40 GGEB C=CCNC(=O)CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 29873034 JSQNPGSGHWDBKH-UHFFFAOYSA-N 377.516 3.249 30 40 GGEB C=CCn1c(Cc2csc(NC(=O)CCc3ccco3)n2)n[nH]c1=S 23177052 WRRWUUBGMWBIGG-UHFFFAOYSA-N 375.479 3.338 30 40 GGEB CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972630 XEKLKCTXISELFR-QFPXGYFVSA-N 378.450 3.207 30 40 GGEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)s1 4311705 ZZBRDJWUMKNTGU-KRWDZBQOSA-N 399.516 3.290 30 40 GGEB O=c1c(Br)c(N/N=C/c2ccc(O)cc2)cnn1-c1ccccc1 4342134 OWFXRNLBEVRLSB-VXLYETTFSA-N 385.221 3.147 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2O)nnc1-c1ccccc1O 408541950 GAJSHSFPDQQPTG-UHFFFAOYSA-N 382.445 3.273 30 40 GGEB N#C[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16033657 LXEWNQWGJYWELY-YDZRNGNQSA-N 375.815 3.379 30 40 GGEB N#Cc1cccnc1N1CCC([C@H]2CCCCCN2C(=O)C2CCOCC2)CC1 71890490 GKAHXQDFVLCCTA-OAQYLSRUSA-N 396.535 3.367 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccc(C)cc2)C1=O 409138554 DPLNLFSCZMNUCX-QGOAFFKASA-N 391.427 3.091 30 40 GGEB N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@H]3CCNC34CCC4)c2)c1 528674118 FZGBEZWBDVSUNL-IBGZPJMESA-N 389.459 3.217 30 40 GGEB NC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100236190 RIKMQHDJXWVJAA-GSVOUGTGSA-N 393.143 3.435 30 40 GGEB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(O)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 100505800 KZCRLAWZRAOFRH-SFHVURJKSA-N 386.404 3.220 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102799271 GASNEIZRCURDTR-UDOZCRMJSA-N 393.439 3.296 30 40 GGEB C=CCN1C(=S)N[C@H](c2ccccc2F)C(C(=O)Nc2cc(C)on2)=C1C 10354453 FIAZYORPYPYLAB-QGZVFWFLSA-N 386.452 3.452 30 40 GGEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 3300215 BZLTYZZAOUQPPI-QFIPXVFZSA-N 379.460 3.031 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1 17195240 UMNYHZQIEBZCBN-GOSISDBHSA-N 375.384 3.469 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409134427 SNODAXSRPPNESV-SFQUDFHCSA-N 379.372 3.253 30 40 GGEB Cc1cc2nc(SCC(=O)Nc3cccc(C#N)c3)n(CC(C)C)c(=O)c2[nH]1 67237849 ZGMZUIAKXLGDNY-UHFFFAOYSA-N 395.488 3.292 30 40 GGEB C#CCOc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)c1 32103709 SCCUPZUYSBMSCL-MRXNPFEDSA-N 389.415 3.115 30 40 GGEB C=CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222723728 YJAJXUHDJWTPSW-INIZCTEOSA-N 386.879 3.438 30 40 GGEB C=CCOc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(Cl)cc43)c2=O)cc1 13549107 QNWRSXVZSJIOSB-SSDVNMTOSA-N 394.818 3.272 30 40 GGEB N#Cc1ccc(O[C@@H]2CCN(C(=O)NCC3(Cc4ccccc4)CC3)C2)nc1 575187224 CXVKVPIQMAUDKS-LJQANCHMSA-N 376.460 3.139 30 40 GGEB CCOC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2c1c(C)nn2CCC#N 3264525 XTCMKUDYJABEKB-UHFFFAOYSA-N 378.388 3.226 30 40 GGEB COc1cc(/C=C2\S/C(=N/C3CCCC3)NC2=O)c([N+](=O)[O-])cc1OC 21314068 KCSAUDPKHPACHV-NVNXTCNLSA-N 377.422 3.115 30 40 GGEB C=CCc1ccc(OCC(=O)N2CCN(c3ccccc3OC)CC2)c(OC)c1 8199950 CFBZNKGSCBIUDX-UHFFFAOYSA-N 396.487 3.160 30 40 GGEB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23437942 YUHLIFPIFTVKGU-MRXNPFEDSA-N 383.879 3.323 30 40 GGEB Cc1ccc(S(=O)(=O)CC(=O)CC(=O)[C@@H](C#N)c2cccc(Cl)c2)cc1 104273494 JANIZMKGYFLLAP-SFHVURJKSA-N 389.860 3.258 30 40 GGEB N/C(=N\C[C@H]1CCCO1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58197980 CQKYPNKCBNBWLG-HXUWFJFHSA-N 375.476 3.123 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(F)cc(N2CCOCC2)c1 58201984 LYWSJYJGFQJYKH-UHFFFAOYSA-N 394.406 3.478 30 40 GGEB C=CCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCc2ccccc2C1 2319729 ZVOAKPNHWYOFJS-GOSISDBHSA-N 383.455 3.102 30 40 GGEB Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1C#N 12914706 FIFXWCLVVCNAST-QKKBWIMNSA-N 377.448 3.053 30 40 GGEB CCCC/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 6671732 QUDJNOLKCOHKIR-AWEZNQCLSA-N 383.901 3.373 30 40 GGEB COc1ccc(CN2CCN([C@H](C#N)c3ccccc3)CC2)c(OC)c1OC 89435094 IQIPXXIKCYAMKX-LJQANCHMSA-N 381.476 3.095 30 40 GGEB O=S1(=O)OC(F)(F)[C@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 97950001 VCMQXFBLVFCJCD-BYPYZUCNSA-N 396.561 3.343 30 40 GGEB COC(=O)c1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 13479754 ROHAINIZEJOEFL-BDTNDASRSA-N 397.434 3.464 30 40 GGEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(N4CCOCC4)o3)S2)cc1 4503538 GTGGNNJXADTDNR-FOWTUZBSSA-N 385.445 3.016 30 40 GGEB COc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(=O)O)cc1 18355027 JQGIYLRYFYGZBN-LJQANCHMSA-N 395.411 3.057 30 40 GGEB C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)C[C@]12CCN(c1ccsc1)C2=O 1614939622 XGYVTLWQBTYURA-QVKFZJNVSA-N 379.485 3.064 30 40 GGEB C=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C1CCCCC1)CC2 13509948 BQOXAVPKKRONAT-UHFFFAOYSA-N 381.524 3.079 30 40 GGEB COc1cc(C#N)ccc1OCCCC(=O)Oc1ccc(N2CCCC2=O)cc1 40131672 SUKZGIITQXFCDZ-UHFFFAOYSA-N 394.427 3.458 30 40 GGEB CC1(C)C[C@@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/NC(N)=S 100118778 KCQWEMJSGSNCTJ-UYSKRRQASA-N 378.501 3.059 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102799267 GASNEIZRCURDTR-CEKHLOFYSA-N 393.439 3.296 30 40 GGEB Cc1cc2c(cc1Br)NC(=O)/C2=N/Nc1ccccc1[N+](=O)[O-] 12403558 FHWYUEQRMHZLTB-UHFFFAOYSA-N 375.182 3.434 30 40 GGEB CCN(CC)CCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N 3261421 BPWQYCAGYZQLNT-UHFFFAOYSA-N 390.940 3.317 30 40 GGEB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118928365 XQVPPASTQTXMTK-LIASLNQGSA-N 388.504 3.380 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(OCc2ccccc2)c1 5312512 ZQTCSSNGCVGUQR-QFIPXVFZSA-N 380.444 3.477 30 40 GGEB Cc1ccc(/C(=N\Cc2ccc([N+](=O)[O-])cc2)NC(=S)N2CCOCC2)cc1 4747671 KKRHXKLYDQRWIV-UHFFFAOYSA-N 398.488 3.057 30 40 GGEB C=CCN(CC=C)C(=O)/C(=C\c1ccc(OC)c(OC)c1)n1ccccc1=O 19823047 CDSILTCWGIBKIK-OBGWFSINSA-N 380.444 3.064 30 40 GGEB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 84190100 YLHOYKZERVXMSR-UHFFFAOYSA-N 384.335 3.385 30 40 GGEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)cc1F 84344370 QUJALTVIAPUJHC-UHFFFAOYSA-N 389.763 3.083 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C1CN(C(=O)c2ccc(F)c(F)c2)C1 70655740 HXRGVDUMQQVFRL-UHFFFAOYSA-N 375.762 3.201 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccccc2F)c1=O 5270378 YHNMHTIOYSYILF-UHFFFAOYSA-N 392.346 3.068 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C)cc1OC 102801999 QKNZWUDAXXOHMF-HVESIFNPSA-N 387.819 3.409 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)c1 8467815 UOGVFYJHXQTFCH-HXUWFJFHSA-N 393.487 3.228 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cc(S(C)(=O)=O)ccc1F 12750335 XHJAVUDKMCANJL-UHFFFAOYSA-N 387.392 3.045 30 40 GGEB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H](C)Oc1ccc(C#N)cc1 12929503 XQABHHYCISLVFL-JKSUJKDBSA-N 375.432 3.126 30 40 GGEB O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(Cl)c1 7883401 IVGOKBXFCAUCLK-MRXNPFEDSA-N 387.892 3.499 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1sccc1C)C(C(=O)OC)=C(C)N2 8133006 XBZRBEKYMFYAHC-LBPRGKRZSA-N 389.502 3.422 30 40 GGEB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1ccc(C)c([N+](=O)[O-])c1 9679078 RWDCOJYHKUBXGN-KNTRCKAVSA-N 382.336 3.002 30 40 GGEB C[C@@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc(F)c(C#N)c1 89904325 IPNFPLCTOIQCPK-NSHDSACASA-N 375.450 3.217 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)cc1 409291795 YPIXEVHVWBMLJV-UHFFFAOYSA-N 385.265 3.416 30 40 GGEB C=CCOc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 225568706 MPFJVRQTAMGHDM-UHFFFAOYSA-N 386.473 3.288 30 40 GGEB C=CCc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(OC)c1O 661821 CYXIAZYCGFUGTL-LICLKQGHSA-N 382.391 3.361 30 40 GGEB O=C1C(=O)N2C(=C1C(=O)N1CCCCC1)c1ccccc1CC21CCCCC1 16524685 AQNXQLFXPUBVPW-UHFFFAOYSA-N 378.472 3.081 30 40 GGEB N/C(=N\c1nc(=O)cc(-c2ccccc2)[nH]1)N1CCC(Cc2ccccc2)CC1 19819806 QCJNJQUAEMUSIG-UHFFFAOYSA-N 387.487 3.338 30 40 GGEB CC(C)CC(=O)O/N=C/c1ccc(S(=O)(=O)c2ccc(Cl)cc2)nc1 5284499 BJOBPMDVMHKOSF-RGVLZGJSSA-N 380.853 3.491 30 40 GGEB CCCCCCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(C)CC1 2415137 KXTPLPWPHBUPDZ-KRWDZBQOSA-N 395.507 3.112 30 40 GGEB COc1c2c(cc3c1[C@@H](n1cc(CC#N)c4ccccc41)N(C)CC3)OCO2 20760572 IKJSVENQEYHAKN-JOCHJYFZSA-N 375.428 3.479 30 40 GGEB biogenic CCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 102803047 PITGZPHOQKQNHB-HVESIFNPSA-N 391.383 3.095 30 40 GGEB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(NCCN2CCOCC2)o1 27562288 WRKOWFGIIUZZAU-FZMZJTMJSA-N 385.295 3.349 30 40 GGEB C/C(=N/NS(=O)(=O)c1ccccc1)c1ccc(NC(=O)c2cccnc2)cc1 17080582 GXWNQHHEFKVMCK-HAHDFKILSA-N 394.456 3.036 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2ccc(OC)c(OC)c2)cc1 8657174 OEVRPTQZGRIXMC-GRWXYWTESA-N 399.472 3.178 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccnc2)c1 6078119 WOBMDUMNFVGNKY-LJQANCHMSA-N 396.443 3.095 30 40 GGEB C=CCOc1c(Br)cc(/C=C2/NC(=O)N(CC=C)C2=O)cc1OC 14009926 ZMVHJWRLVVLYCP-UKTHLTGXSA-N 393.237 3.101 30 40 GGEB CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 5694521 JGEBSSTWEFAKAN-HXUWFJFHSA-N 377.444 3.034 30 40 GGEB Cc1cc2nc(SCC(=O)Nc3cccc(C#N)c3)n(C(C)C)c(=O)c2[nH]1 67236124 BSGNMRJNPKRAPX-UHFFFAOYSA-N 381.461 3.216 30 40 GGEB O=C(O)COc1cccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)c1 1531383948 SRYKAHHGEHWIMH-ZVHZXABRSA-N 399.406 3.409 30 40 GGEB Oc1ccc(Cl)cc1/C=N/N1CCN(/N=C/c2cc(Cl)ccc2O)CC1 1700735 YLVBILUZOVUXKN-XHQRYOPUSA-N 393.274 3.390 30 40 GGEB Cc1nc(C)c(-c2ccc(N3CCN(Cc4ccc(C#N)cc4)CC3)nn2)s1 1888913234 DCYGAIYBPKWVMI-UHFFFAOYSA-N 390.516 3.411 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 19972668 CMQQTIDPWQRXBS-GOSISDBHSA-N 399.878 3.265 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 5799821 ANFMLFUCDSSCJU-LFVOPCPISA-N 382.435 3.199 30 40 GGEB COc1ccc(-c2nn(CCC#N)cc2C(=O)Nc2nccs2)cc1OC 4516890 FWPSIIWZJKTOGI-UHFFFAOYSA-N 383.433 3.190 30 40 GGEB CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1 3284350 VZWXSDFWKPPLSY-UHFFFAOYSA-N 394.427 3.492 30 40 GGEB COc1ccc(CN(C)CC(=O)Nc2sccc2C#N)cc1OC(F)F 26452626 CMKDWSNSVDIKFB-UHFFFAOYSA-N 381.404 3.300 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)C(=O)N(c2ccccc2)C1=S 408731254 ZKKHIPCEPWALDC-NBVRZTHBSA-N 378.453 3.425 30 40 GGEB CC1(C)Cc2c(C#N)c(Nc3ccccc3)n3c(SCCO)nnc3c2CO1 5246295 GUROKKHELRLYIA-UHFFFAOYSA-N 395.488 3.280 30 40 GGEB C=C(C)CN(CC)C(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 8777012 XVGYSCDGXLAXOE-UHFFFAOYSA-N 384.501 3.476 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccco1 5799428 AEPVKFVFJVWGDA-WOOAAIBNSA-N 382.460 3.433 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccco1 19973952 MXKHKAXOPSTYFH-IBGZPJMESA-N 398.459 3.208 30 40 GGEB N#Cc1ccc(CCC(=O)Nc2ncc([N+](=O)[O-])cc2Br)cc1 72307865 DKYNBAMCDQCRHA-UHFFFAOYSA-N 375.182 3.195 30 40 GGEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCC(=O)OCC 408808228 DQWRVGIAZSPUDK-GDNBJRDFSA-N 391.445 3.032 30 40 GGEB C#CCOc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC 409345857 LWWMQGCFBBYKEM-XYOKQWHBSA-N 398.303 3.301 30 40 GGEB COc1cc(OC)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409102402 ZIEKGJVUWLPTJY-CAOOACKPSA-N 381.186 3.216 30 40 GGEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)NCCN(C)C)C2 49171850 ITCIMDRBMWIUSF-PMACEKPBSA-N 382.552 3.107 30 40 GGEB biogenic,in-vitro CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)c1ccc(F)cc1F)=C2 58406878 QEDFDRZYZMTHIR-UHFFFAOYSA-N 395.383 3.485 30 40 GGEB C=CCn1c(SCC(=O)NC2CCCC2)nc2sc(CC)cc2c1=O 3267901 ZCAFKCBGVRUFSI-UHFFFAOYSA-N 377.535 3.357 30 40 GGEB C/C(=N\Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc2ccccc2c1 5494713 VKSVDKAEKRHOOI-UDWIEESQSA-N 384.417 3.232 30 40 GGEB Cc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cc(Cl)ccc3C#N)C2=O)cc1 408536248 QRQIEZMHKMGLSN-HNNXBMFYSA-N 380.791 3.122 30 40 GGEB N#CCSc1nc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408751303 YYOKCULTCSISHF-MISXLKTNSA-N 385.470 3.373 30 40 GGEB C=CCc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(OCC)c1O 34877212 ATTFUWHCPNNLDY-PDGQHHTCSA-N 378.453 3.290 30 40 GGEB N#Cc1ccc(NC(=O)CNc2ccccc2I)cc1 15289690 VTUCMOIZBPHMQW-UHFFFAOYSA-N 377.185 3.213 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(O)c2)nc2sc(C)cc2c1=O 5017294 DAEFZKWTVYFITG-UHFFFAOYSA-N 387.486 3.389 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(OC)cc1 5045126 MVZXRTKKXRLIPJ-KRWDZBQOSA-N 387.457 3.372 30 40 GGEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@H]1CCCN(c2cnccn2)C1 29787090 TYDWRCRPCQXUKO-IBGZPJMESA-N 383.455 3.127 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@H]1c1cccs1 102541177 WNXHBFRTZJHSJV-GROYHEBESA-N 387.457 3.133 30 40 GGEB COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102698637 WYEZDKBTZQMRAG-MWDXBVQZSA-N 396.491 3.297 30 40 GGEB O=C(C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 1826510 XHURYJUTLLPSON-SSSUMRQXSA-N 395.435 3.244 30 40 GGEB CCOc1cc(/C=N/n2cnnc2SCc2ccccc2)cc([N+](=O)[O-])c1O 36075369 CKNUFLHRUSFLMV-KEBDBYFISA-N 399.432 3.465 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 408817354 SZWZOYLJUJSCFV-FOWTUZBSSA-N 394.814 3.327 30 40 GGEB CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCOC)c1 4541134 ZWOMEAKLWRBPDY-SFHVURJKSA-N 385.416 3.293 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccc(F)cc2)cc1 19904230 OJAYNXZTRFOAJT-SFHVURJKSA-N 383.375 3.187 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)C(=O)NC1=S 408903800 ZLQVRFCRHUCWJC-QGOAFFKASA-N 393.512 3.469 30 40 GGEB O=C(Nc1ccc([N+](=O)[O-])cn1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97944213 AAQLNHXYUDPTSN-UHFFFAOYSA-N 385.142 3.397 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C2\Nc3ccccc3[C@@H](c3ccccc3)N2)cc1 5746430 WLFNDBWNQWDBEF-HXUWFJFHSA-N 392.484 3.349 30 40 GGEB CCOC(=O)[C@@H]1C[C@@H]2O[C@@H]2[C@@H]1NC(=O)OCC1c2ccccc2-c2ccccc21 32099091 UXZKREQMAAWPKS-PMXSJFBMSA-N 393.439 3.244 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(OCC)c21 100910064 WOUQJVWZLURQBX-ZCXUNETKSA-N 387.442 3.446 30 40 GGEB COc1ccc(CN2C(=O)C[C@@H](C(=O)O)S/C2=N\c2ccc(F)cc2)cc1 2728734 SYHBIHZMBQHXAX-XOMICKMZSA-N 388.420 3.441 30 40 GGEB CC(C)N(CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@H]12)C(C)C 20612393 MJHAVTISRMMQFD-LCDLLCBDSA-N 392.584 3.222 30 40 GGEB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2ccc(C)s2)n1 65484725 NSGJRJIDDVIOMC-UHFFFAOYSA-N 391.474 3.253 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc(N2CCOCC2)cc1 7364487 UBQURWSRUAKTRK-UHFFFAOYSA-N 376.416 3.339 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 13711638 GJCDQKMAAHCNIU-LJQANCHMSA-N 388.489 3.435 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Oc3ccc(C#N)cc3)CC2)c(C)c1 14469209 MXDDSTQWUFNLNG-UHFFFAOYSA-N 398.484 3.181 30 40 GGEB CO[C@H]1CCC[C@H](C(=O)NC2(C#Cc3ccc(NC(C)=O)nc3)CCCCC2)C1 19022675 YOLIZGGYCXGYJY-PMACEKPBSA-N 397.519 3.416 30 40 GGEB CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)c1 19999632 SJOJGVKPZKVKDC-IBGZPJMESA-N 398.459 3.208 30 40 GGEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1 8554729 KQLNYCLLHCLCFH-GOSISDBHSA-N 380.444 3.413 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 102865840 VRBIHYCWNMAFRR-LFVOPCPISA-N 381.428 3.072 30 40 GGEB C=CCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 865026 JOKGJQNRIVKHQV-UHFFFAOYSA-N 395.528 3.432 30 40 GGEB biogenic CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(C#N)n(C)c1C 25479793 FIDIVTQVQLCYJF-IBGZPJMESA-N 381.476 3.372 30 40 GGEB Cc1cccc(N2CCN(CC[C@@H](C)NCc3cc(C#N)n(C)c3C)CC2)c1 48363588 ZIXXXBIGYDYCJP-LJQANCHMSA-N 379.552 3.204 30 40 GGEB O=C(CC1CCCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 15894499 KWZWRKYEOGAXSW-CMQBPOAVSA-N 392.546 3.258 30 40 GGEB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3sccc3C#N)no2)cn1 96001873 VTIUXBPCUVXDAH-AWEZNQCLSA-N 382.449 3.161 30 40 GGEB COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(=O)O)c1 19904215 SVOJETXYMVHBLE-LJQANCHMSA-N 395.411 3.057 30 40 GGEB N#Cc1nc(-c2ccccc2F)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138144060 AREMDNPFVRYBFJ-UONOGXRCSA-N 376.391 3.138 30 40 GGEB CCc1nc(C#N)c(N2CCN(c3cc(Nc4ccc(C)cc4)ncn3)CC2)o1 80345670 GIFYXEOCSAZZGJ-UHFFFAOYSA-N 389.463 3.277 30 40 GGEB CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@@]3(C)[C@H](C(=O)CO)CC[C@H]23)[C@@]2(C)CCC(=O)C=C12 254740668 XRXDCBIIKLNRSQ-XMCOZQNISA-N 388.504 3.238 30 40 GGEB CCOc1ccc(-c2ccc(N3CCN(c4ccc(C#N)nc4)CC3)nn2)cc1 1888903732 HWLCKPIIWGXGSY-UHFFFAOYSA-N 386.459 3.136 30 40 GGEB C=CCNC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852300 HCLJTUSMOCWBAD-UHFFFAOYSA-N 381.910 3.372 30 40 GGEB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 101331032 BIVZCZGVKQQSKT-IXOWOOARSA-N 387.443 3.226 30 40 GGEB COC(=O)C1=C(C)N/C(=C/c2cc(C)n(-c3cc(C)ccc3OC)c2C)C1=O 1106945 HHFLOSAQDOAIHB-GZTJUZNOSA-N 380.444 3.371 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2cccc(F)c2)N2NN=NC2=N1 1417471 KTFQHYBGKVPAPS-QGZVFWFLSA-N 393.378 3.042 30 40 GGEB CC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1cccs1 3274653 FPRZJIPWPQDODH-OAXSPEODSA-N 384.486 3.412 30 40 GGEB COc1ccc(NC(=O)[C@@H](C)O/N=C/c2ccc(-n3cncn3)cc2)cc1Cl 12777513 AXPFNCIOUGTGNU-FBRGJASNSA-N 399.838 3.307 30 40 GGEB O=S(=O)(/N=C(\O)C12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 48461529 VBLWARVOGKKGMD-UHFFFAOYSA-N 377.462 3.319 30 40 GGEB N#CC1(NC(=O)COC(=O)c2ccc(-n3cnc4ccccc43)cc2)CCCC1 6657446 FMJSRZXVZFRDDR-UHFFFAOYSA-N 388.427 3.135 30 40 GGEB NC(=O)SC/C(=N/S(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1 4750768 JZIVAASFDZRXSH-UHFFFAOYSA-N 383.882 3.351 30 40 GGEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)nc1N 19851818 UFJGFOHSCSEQGO-UHFFFAOYSA-N 393.350 3.037 30 40 GGEB C=C(C)COc1cccc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 219795125 GWTMOSFOGZOHEJ-UHFFFAOYSA-N 379.504 3.323 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9446385 DIAIFXSBRWJHNK-GOSISDBHSA-N 390.534 3.010 30 40 GGEB Cc1ccc(-c2csc(C3=C(N)N(C[C@H](O)c4ccccc4)CC3=O)n2)cc1 7002387 GPJBTGCUHDTTNP-SFHVURJKSA-N 391.496 3.364 30 40 GGEB Cc1nc(N2CC(Cn3cc(Br)cn3)C2)c(C#N)c(C)c1Cl 1889108934 IJPLAJVKTZMJHB-UHFFFAOYSA-N 380.677 3.319 30 40 GGEB C#CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cccc(OCC)c21 100910427 LDJHHHGNQBUVRE-NFFVOIMASA-N 394.452 3.002 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(O)cc1 102486071 ZCVHBJUONOCZKH-LFVOPCPISA-N 381.428 3.159 30 40 GGEB N#Cc1ccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1 51317146 FOFCMHHHJUTCLU-UHFFFAOYSA-N 387.443 3.459 30 40 GGEB CCOC(=O)CN/C=C1\C(=O)c2ccccc2-c2oc(C)c(C(=O)OCC)c21 103697313 AFLUOLIBEJIBPH-GDNBJRDFSA-N 383.400 3.122 30 40 GGEB COCc1cc(C)n(CC(=O)Nc2cc(Cl)ccc2Cl)c(=O)c1C#N 810877 MYEVVKYLAMLGOI-UHFFFAOYSA-N 380.231 3.120 30 40 GGEB CC(=O)C(C(=O)NCc1cccc(C(F)(F)F)c1)=C1SC(C(=O)O)S1 62716072 LBLIKDKIEHKFRD-UHFFFAOYSA-N 391.392 3.013 30 40 GGEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12920885 MHGRJFQCCMDUDZ-SJLPKXTDSA-N 376.460 3.236 30 40 GGEB C=CCNC(=O)NC(=O)CSc1nc2ccccc2c2nc3ccccc3n12 3518038 HNGXZSFBYRJMOI-UHFFFAOYSA-N 391.456 3.140 30 40 GGEB CC(=O)C1=C(C)Oc2ncn3nc(-c4ccccc4O)nc3c2[C@H]1c1ccco1 5347937 APEFJNLSJKAZDH-KRWDZBQOSA-N 388.383 3.477 30 40 GGEB C=CCNc1oc(-c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)nc1C#N 36627982 HAJSCDIHEILLMU-CQSZACIVSA-N 386.477 3.232 30 40 GGEB N#CC1(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@]23CCCC[C@H]2[C@]1(C#N)C(=N)O3 5065544 FGHKBSLLXQNWTG-OSGQAZFXSA-N 377.360 3.104 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)O)cc1 19904174 ONXAVNKQNUAOOX-LJQANCHMSA-N 395.411 3.138 30 40 GGEB Cc1noc(C(C)C)c1C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 40080506 RCEVQZZEHFPIGC-UHFFFAOYSA-N 395.419 3.189 30 40 GGEB C[C@H](Oc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)O 12363889 IXRQBLBZXCUSNC-HADWXUJASA-N 398.440 3.004 30 40 GGEB C=CC/N=c1/scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1ccc(C)o1 105759736 NGXAPRLZXPTZSH-TYORTXCMSA-N 394.456 3.418 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccs2)c1 6197078 SXZHELOPSHBJNW-QGZVFWFLSA-N 387.457 3.372 30 40 GGEB COc1ccccc1N/C(N)=N/c1nc(=O)cc(CSc2ccc(C)cc2)[nH]1 13125565 OCCMCRFIERZTBE-UHFFFAOYSA-N 395.488 3.438 30 40 GGEB aggregator Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ccc(C#N)cn2)CC1 1888944010 RXXRXKSGDVIDLU-UHFFFAOYSA-N 377.423 3.027 30 40 GGEB COC(=O)c1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1 100779013 CDAADDCHKHMCFG-UHFFFAOYSA-N 399.406 3.245 30 40 GGEB biogenic N#CCCN1CCN(C2=NC(=O)/C(=C\c3ccc(-c4ccccc4)o3)S2)CC1 20480132 YTDPXIMEWMDLHJ-XDJHFCHBSA-N 392.484 3.448 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1)C(C(=O)OCC)=C(C)N2 8346025 UTRWWAITLXAMMY-HNNXBMFYSA-N 383.473 3.443 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@H](C)CCc1ccccc1 32824527 AJLOTYUKXNNETQ-OAHLLOKOSA-N 375.476 3.288 30 40 GGEB COc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc(Cl)c1OC(C)C 24497009 QNUJBTGCUVVXAZ-RTRPANQVSA-N 378.808 3.364 30 40 GGEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc([N+](=O)[O-])cc1 22608176 LHBFTEYBAPOMMO-XLKFXECMSA-N 393.325 3.473 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 3221405 YKHPEGUIZSWKPJ-UHFFFAOYSA-N 376.441 3.185 30 40 GGEB C=C(C)CN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1 6107544 OLFYKNVLOGGLDT-UHFFFAOYSA-N 394.500 3.297 30 40 GGEB CN(Cc1ccc(Br)s1)C[C@H](O)COc1ccc(C#N)cc1 14200947 QABMXFRYERPWJK-ZDUSSCGKSA-N 381.295 3.254 30 40 GGEB COC(=O)c1ccccc1NC(=O)/C=N/OCc1cc(Cl)ccc1OC 14290756 KNTMHRKNGCFYFO-KEBDBYFISA-N 376.796 3.276 30 40 GGEB CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 5864568 UVAAXIMGSUFXOP-AWEZNQCLSA-N 383.473 3.398 30 40 GGEB COc1cc(/C(N)=N/OCC(=O)Nc2ccc(Cl)cc2)ccc1OC(F)F 39969546 VOUJOTBHXKVLHM-UHFFFAOYSA-N 399.781 3.226 30 40 GGEB Cc1ccc(S(=O)(=O)NCCNc2nc3c(C)cc(C)cc3cc2C#N)cc1 35313051 SJFXQAVWTFQZNV-UHFFFAOYSA-N 394.500 3.422 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1 13127188 SFIHHWSGLJCCGL-LJQANCHMSA-N 379.460 3.002 30 40 GGEB COC(=O)/C=C1\OC(c2ccc(Br)cc2)=C(Br)C1=O 16958811 LCTJQDQRNLRXMB-TWGQIWQCSA-N 388.011 3.169 30 40 GGEB CN(CCCc1n[nH]c(N)c1C#N)c1ncnc2sc3c(c12)CCCCC3 29165097 FTKPIVHYTFAJFN-UHFFFAOYSA-N 381.509 3.206 30 40 GGEB C=CCN(CC=C)C(=O)COC(=O)/C=C/c1ccc(OC(F)F)c(OC)c1 7989922 UMCATAMQGPCNEH-VQHVLOKHSA-N 381.375 3.054 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(CC(N)=O)C2CCCC2)n(C2CCCCC2)c1C 32932786 FXGKJXCNTRYYLM-UHFFFAOYSA-N 399.539 3.150 30 40 GGEB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118924650 XRXDCBIIKLNRSQ-HJQCKMEQSA-N 388.504 3.238 30 40 GGEB COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H]1c1cccc(C#N)c1 12786557 NJEVUXFQHFLUDZ-GOSISDBHSA-N 392.371 3.184 30 40 GGEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccc(F)cc1 5163382 XVTNLVLHLAERFT-XDHOZWIPSA-N 394.428 3.210 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(O)c(OC)c1 6238825 HHYIYTUOPBRSDI-LJQANCHMSA-N 397.427 3.016 30 40 GGEB N#Cc1ccc(N2CC[C@@H](OC(=O)c3cc4c(cc3O)CCCC4)C2=O)cc1 65687503 CNBJAQXMWLZYAU-HXUWFJFHSA-N 376.412 3.105 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224640776 YTJNVCGZVRVOMI-UHFFFAOYSA-N 377.462 3.402 30 40 GGEB COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1cccc(C)c1 223734816 XYSWBQYOLNJPBP-QOCHGBHMSA-N 383.473 3.290 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC(C)CC2)n1 225924671 HQIHDXFOCROJOY-UHFFFAOYSA-N 388.585 3.422 30 40 GGEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc(OC)c(OC)c1 224797495 MVOWTCKWOKBWEB-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB COc1cccc2cc(C(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)oc12 252552516 UUUYTSKRCCURSM-SHTZXODSSA-N 392.415 3.223 30 40 GGEB COc1ccc(S(=O)(=O)/N=C2\C=C(Cl)C(=O)C(Cl)=C2Cl)cc1 828911 YBTSBIIHYLNAPO-LICLKQGHSA-N 380.636 3.220 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccco1 102879597 TXXBUOSWWYADDH-GHNGSUTGSA-N 378.359 3.436 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 102497543 BOMZGFJQGLEWHK-LFVOPCPISA-N 381.428 3.072 30 40 GGEB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 3595370 HXNYEWHOYGYRNG-FQEVSTJZSA-N 396.834 3.007 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2[C@@H](C)CCC[C@H]2C)nc1C 18208996 XTLYIIVZPYHQMB-BETUJISGSA-N 375.494 3.320 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccs1 5576901 CTBVLUUKYPPXKB-UYTDBDHRSA-N 390.892 3.385 30 40 GGEB O=C1CSC(=S)N1/N=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 409331750 PLPHKTRCEARANT-NVMNQCDNSA-N 387.442 3.368 30 40 GGEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC(C)C 409401981 CPQSRJQWDPJOTE-CPLUKWAASA-N 394.471 3.352 30 40 GGEB COc1ccccc1-c1nc(C#N)c(N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)o1 138160813 VGZJUALQPYCMLS-LSDHHAIUSA-N 388.427 3.007 30 40 GGEB N#Cc1nn(-c2ccccc2Cl)nc1N1CCN(c2ccccc2F)CC1 256047824 OYGFMTJTKSBOMU-UHFFFAOYSA-N 382.830 3.258 30 40 GGEB N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(C(=O)c2ccc(F)cc2)CC1 6670311 TXXFZDZYTKWIIX-UHFFFAOYSA-N 394.381 3.454 30 40 GGEB CC1(C)c2ssc(=S)c2-c2cccc3c2N1C(=O)/C3=N/NC(N)=S 100161668 USCSFLYYWRGMEZ-RQZCQDPDSA-N 392.556 3.339 30 40 GGEB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 100420989 GQQMMIPCMCKSTF-BXUZGUMPSA-N 384.819 3.408 30 40 GGEB Cc1n[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)n1 11708428 LARIAUREPAFTQV-UHFFFAOYSA-N 398.467 3.321 30 40 GGEB CC(=O)c1sc(NC(=O)CSc2nc(C)c3c(n2)CCC3)c(C#N)c1C 6469934 SIPHFTWTGPQJOQ-UHFFFAOYSA-N 386.502 3.449 30 40 GGEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OC(=O)N(C)C)ccc2C1=O 12662931 JIKOCLAQITXUPA-OCKHKDLRSA-N 399.399 3.389 30 40 GGEB biogenic Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1cccnc1 2399190 UPAZZUOHTPZBCK-DHRITJCHSA-N 399.458 3.116 30 40 GGEB Cc1nn(-c2ccccc2)c(Cn2nc(-c3ccc(F)cc3)oc2=O)c1C#N 10805832 IXVPFMCSAMKSLM-UHFFFAOYSA-N 375.363 3.057 30 40 GGEB C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(OCC(=O)N(C)C)cc1 6832036 UHDSFKUHDMXDGV-FSJBWODESA-N 380.370 3.404 30 40 GGEB COc1ccc(-c2nnc(SCC(=O)c3ccc(C#N)cc3)n2C)cc1OC 9328183 KXMUDNCYHNYELJ-UHFFFAOYSA-N 394.456 3.346 30 40 GGEB COc1cc(Br)c(O)c(/C=N/Nc2nc3ccccc3n2C)c1 408662323 RHOXOOVRVFPJNB-GIJQJNRQSA-N 375.226 3.496 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 552474824 AHJZWTMGARMZHN-AWEZNQCLSA-N 385.851 3.444 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1)S(C)(=O)=O 408615500 BBJCGHFYCJEPPI-KRWDZBQOSA-N 386.517 3.390 30 40 GGEB COC(=O)c1ccccc1-c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1 409351919 BSUONPFHMNYAEB-UHFFFAOYSA-N 389.367 3.031 30 40 GGEB CC(=O)N(CCOC(=O)c1ccccc1)C1=C(Cl)C(=O)c2ccccc2C1=O 4772694 UQANXIIFRSUPRE-UHFFFAOYSA-N 397.814 3.222 30 40 GGEB C/C(COc1ccc2ccc(=O)oc2c1)=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 30734236 DMBNICQRLCLZGL-ODLFYWEKSA-N 398.331 3.476 30 40 GGEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503427 APFARXWWTBHVKD-SVQNHAPJSA-N 380.535 3.212 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)o1 5869311 NAOUXJUEBLIFEY-FMJMANMHSA-N 390.395 3.176 30 40 GGEB Cc1cccc(/C=N\CCOCCOCC/N=C/c2cccc(C)c2O)c1O 17158521 BHNLOCFFOOFDHV-REPVBDINSA-N 384.476 3.286 30 40 GGEB C=CCNC(=S)N/N=C/c1ccc(OCCOc2ccccc2OC)cc1 27023296 QJWQFIPWDPJDSJ-PXLXIMEGSA-N 385.489 3.137 30 40 GGEB O=C(OCC#Cc1ccccc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 40157157 BDQOSOHKLOAIPM-OAQYLSRUSA-N 385.419 3.442 30 40 GGEB CCCC(=O)C1=C(c2ccc(OC)cc2)N(C(=O)CCC)n2cnnc2S1 4518289 HJCKBAYYCWXMNV-UHFFFAOYSA-N 386.477 3.395 30 40 GGEB CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1F 1242994 CVOIFXLFJHGHBZ-HNNXBMFYSA-N 391.196 3.472 30 40 GGEB CCOC(=O)[C@@]1(C)/C(=N/Nc2ccccc2Cl)C(=O)C(=O)N1c1ccccc1 100207716 SNJFPRTZCVKAJF-YYTOJMEDSA-N 399.834 3.046 30 40 GGEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc32)n(C[C@H]2CCCO2)c1C 8194198 RSKVJRSDYONXBT-GOSISDBHSA-N 378.476 3.157 30 40 GGEB Cc1nnc2n1C[C@H](C(=O)NCc1cccc(-c3ccc(C#N)s3)c1)CC2 95432757 BEWIBPMUDSFLFC-MRXNPFEDSA-N 377.473 3.066 30 40 GGEB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409105500 KPHNRMXVYDAGFJ-CXUHLZMHSA-N 383.429 3.153 30 40 GGEB O=[N+]([O-])c1cccc(/C=N/N=C/c2cccc(I)c2)c1O 36233980 MYZFOOXDMYGHCC-GONBZBRSSA-N 395.156 3.358 30 40 GGEB O=C(O)c1ccccc1N/N=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 18996314 ZKXPJFPSLGWBGU-XKZIYDEJSA-N 376.294 3.118 30 40 GGEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N1CC[C@H](C)Sc2ccccc21 40115042 CDBBNXRRSVGPCX-LBPRGKRZSA-N 393.472 3.075 30 40 GGEB O=[N+]([O-])c1ccc([C@H]2C[C@@H](C(Cl)(Cl)Cl)OS(=O)(=O)O2)cc1 3154965 PJXNJUSJPRZPOY-BDAKNGLRSA-N 376.601 3.056 30 40 GGEB CCOc1ccc(/N=C2\SCC(=O)N2S(=O)(=O)c2ccc(F)cc2)cc1 3236369 KQJYQUALAAPUQJ-ZPHPHTNESA-N 394.449 3.176 30 40 GGEB N#CCCN(CCC#N)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3246859 HLLYISQDUJHLMG-UHFFFAOYSA-N 388.638 3.460 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)NC1=S 4723742 OOVHJLRKNMLIQQ-QGOAFFKASA-N 378.453 3.078 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc2ccccc2cc1O 4965663 NMKBHJUZIQALGE-UHFFFAOYSA-N 391.339 3.121 30 40 GGEB COC(=O)c1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCC#N)S2)cc1 408812088 CAXBBNQYINIPBA-ATVHPVEESA-N 393.424 3.267 30 40 GGEB N#Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)[nH]n2)cc1Cl 7028337 PWBJAKLPSILCMG-UHFFFAOYSA-N 380.791 3.397 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1Br 1529454282 UPROOTRZZWRIRW-VQSNOSNOSA-N 385.261 3.145 30 40 GGEB Oc1ccc(Cl)cc1/C=N/NC(=S)N/N=C/c1cc(Cl)ccc1O 1692294 DJCOGVNAADFKNZ-NDILIQOGSA-N 383.260 3.237 30 40 GGEB COc1ccc2nc(NC(=O)C(=O)[C@H](C#N)c3ccc(CC#N)cc3)sc2c1 1617371 SSNCMUGEXPABSD-OAHLLOKOSA-N 390.424 3.186 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2ccccc21 20735294 HJJDIAYJBMZKOY-HSZRJFAPSA-N 382.423 3.438 30 40 GGEB COc1cccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N/O)c1 106536712 JRQDNYRAOVPLFL-FIOICXDGSA-N 384.432 3.230 30 40 GGEB CCOC(=O)CSCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 8319556 PFDPLIYHUCQBDP-UHFFFAOYSA-N 385.489 3.260 30 40 GGEB CCCC[C@H](C#N)NC(=O)Oc1cccc(NC(=O)C2(CC)COCOC2)c1 255187686 GCVGHKHAGKXFRX-MRXNPFEDSA-N 389.452 3.197 30 40 GGEB Cc1c(C(=O)NC2(c3ccc(C#N)cc3)CCC2)nnn1Cc1ccc(F)cc1 594142533 HFDNCJAEOYDJPU-UHFFFAOYSA-N 389.434 3.455 30 40 GGEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)c1 205808622 VSECZPJXMSRYLX-GHRIWEEISA-N 386.473 3.300 30 40 GGEB Cc1cc(I)cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c1O 6202603 PWLNSPFZXGEEOR-REZTVBANSA-N 393.184 3.225 30 40 GGEB COc1cc(/C=N/Nc2nc3ccccc3n2C)cc(Br)c1O 7343330 OQBQAWVGAFCPIC-GIJQJNRQSA-N 375.226 3.496 30 40 GGEB Cc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1I 7051274 NJTGDDMGVSAFBP-UHFFFAOYSA-N 398.225 3.272 30 40 GGEB CCOc1ccc(N(CCC#N)C(=O)COc2ccc(-c3nnco3)cc2)cc1 31705202 AVWYQUMFQJVRJI-UHFFFAOYSA-N 392.415 3.461 30 40 GGEB CC1=C2[C@H]3OC(=O)[C@@H](CN4CCc5ccccc5C4)[C@@H]3CC[C@@]2(C)C=CC1=O 4027198 MDMLHUFQOLDZMS-MWYJAUPDSA-N 377.484 3.458 30 40 GGEB biogenic Cc1csc([C@@H](C#N)C(=O)COC(=O)CSc2ccc3c(c2)CCC3)n1 6851572 OYFPMJHRJYAYPV-INIZCTEOSA-N 386.498 3.452 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1c(F)cccc1Cl 7989448 UKDMKDDIRLWSQD-UHFFFAOYSA-N 375.831 3.247 30 40 GGEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@H]3O[C@]32C(C)=O)C1 25631116 IKTIOUOCDGDFJO-ZXBOIXAOSA-N 388.504 3.476 30 40 GGEB Cc1ccc(CN(Cc2ccc(C)n2C)C(=O)COc2ccccc2C#N)n1C 58110281 UBHVBIADAGXHJC-UHFFFAOYSA-N 390.487 3.460 30 40 GGEB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1sccc1C#N 10132433 OGVGQHOSLGHZOA-UHFFFAOYSA-N 382.489 3.149 30 40 GGEB CCOc1ccc(S(=O)(=O)/N=C(\O)c2ccc(-n3cc(C)cn3)cc2)cc1 48453063 PXGSAPWZLDKEPA-UHFFFAOYSA-N 385.445 3.273 30 40 GGEB CCOc1ccc(C(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1OC 14184399 MSKLVHWBNGYLOQ-LJQANCHMSA-N 397.450 3.256 30 40 GGEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)c(C)n1-c1ccccc1 408586143 BJXCXECYZUQSSU-YXYLTHSFSA-N 385.467 3.481 30 40 GGEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3ccccc3F)n2)o1 223676154 PZAQEPVDIIFNCD-UHFFFAOYSA-N 398.419 3.332 30 40 GGEB CC(=O)Nc1c(C#N)nnc2c(Br)c(-c3ccc(Cl)cc3)nn12 5378291 NYFDNJOFXGDSLD-UHFFFAOYSA-N 391.616 3.037 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)c(OC)c1 832442 GHGWJWAYRAXWFZ-LJQANCHMSA-N 391.423 3.445 30 40 GGEB N#Cc1c2c(c3nncn3c1NCc1ccco1)CN(Cc1ccccc1)CC2 20676307 QBTUKQKTXYTWPD-UHFFFAOYSA-N 384.443 3.364 30 40 GGEB in-vitro C[C@@]1(c2cccc(C#N)c2)NC(=O)N(Cc2cc(-c3cccs3)on2)C1=O 58217503 WPSXNMPKGMIPFJ-IBGZPJMESA-N 378.413 3.242 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)o1 100302112 NDWSIEKUAPQMGA-OIRNKICUSA-N 383.407 3.205 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 101314508 BAWAZAVFBKTFGI-AAGTZJIKSA-N 393.317 3.005 30 40 GGEB C=CCOc1ccc(-c2nonc2NC(=O)COc2ccc(OC)cc2)cc1 12389275 UINLZRIPGYBYKY-UHFFFAOYSA-N 381.388 3.328 30 40 GGEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@H]1c1ccc(OCC)cc1 2463685 PJWPVWFOADABES-DYVFJYSZSA-N 386.473 3.463 30 40 GGEB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N+]34CCN(CC3)CC4)ccc21 3427151 OJAXJVRHCFCLJW-QGZVFWFLSA-O 377.512 3.287 30 40 GGEB Cc1ccc(CCC/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 48461881 WBZDXYBEQDVRDL-UHFFFAOYSA-N 375.446 3.434 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccn1 4326230 HDWNFSIHDZGZRG-YDJIHCHBSA-N 393.487 3.235 30 40 GGEB C=CCOc1c(CC=C)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409347254 NISXXTIUXNMEPA-UHFFFAOYSA-N 391.427 3.286 30 40 GGEB C=CCNC(=O)NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 6508958 BIMONQTXQUVVMX-UHFFFAOYSA-N 384.486 3.462 30 40 GGEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2/C=Cc3ccccc3C2=O)c1 5524643 CLENKZYWERVTEU-QOCHGBHMSA-N 383.473 3.395 30 40 GGEB COc1ccc(/C=N\N=C2/NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)cc1 6995473 PSTMUFNPCNCNSS-FIGKALKUSA-N 397.456 3.306 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 84502112 QOZDVFJQTOPAJW-KGLIPLIRSA-N 377.393 3.046 30 40 GGEB CCS(=O)(=O)c1ccc2oc([C@H]3CCN(Cc4cccc(C#N)c4)C3)nc2c1 35446879 ZHRVDFHQNHQOCD-KRWDZBQOSA-N 395.484 3.483 30 40 GGEB biogenic,in-vitro COc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1OCC(C)(C)C 409355054 BFQZYUVUCOJDEY-UHFFFAOYSA-N 381.432 3.418 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224756296 SOQPDNKEDCIWCO-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB CC[C@](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)(OC)c1ccccc1 96123807 HHOJCAVLLPIVHZ-HXUWFJFHSA-N 385.851 3.218 30 40 GGEB N#Cc1ccnc(O[C@@H]2CCCN(C(=O)c3ccccc3Br)C2)c1 575612542 LFQXFQCZHGYBBW-CQSZACIVSA-N 386.249 3.399 30 40 GGEB CC[C@@H](O/N=C(\C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(C)on1 24829808 TYSDMAGFIJPUQT-YXUUZYBBSA-N 384.436 3.489 30 40 GGEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 5488687 BAWAZAVFBKTFGI-PDXPXHEVSA-N 393.317 3.005 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1-c1ccco1 4723793 DGWWLQVWPYEYOW-UHFFFAOYSA-N 384.417 3.153 30 40 GGEB COc1cccc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)c1O 409051149 ARCAKWCRJANDQI-ZHRUAKFBSA-N 384.413 3.333 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C=O)[C@]1(O)CC[C@H]2c1ccc(=O)oc1 118929683 XMFOZWPYGNDNKK-MQCWUUAOSA-N 398.499 3.341 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 32505397 JVKYSKVISQMZCM-SVQNHAPJSA-N 380.535 3.095 30 40 GGEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 70462122 WLWXKQZKMDPCHA-UHFFFAOYSA-N 375.259 3.410 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)CC[C@H]2CCCO2)cc1C(F)(F)F 48514313 HEGFUCYDVNOMBS-LLVKDONJSA-N 376.356 3.181 30 40 GGEB C[N@+]1(CC(=O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](O)c1ccccc1)C2 261506655 REFUXNZBPJQVLU-SRVLBJBBSA-N 394.491 3.286 30 40 GGEB CN(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795078 UICLVEDAOHWFEU-LPHOPBHVSA-N 396.443 3.103 30 40 GGEB Oc1ccc(Cl)cc1/C=N\N1CCN(/N=C\c2cc(Cl)ccc2O)CC1 4990735 YLVBILUZOVUXKN-IINORCHSSA-N 393.274 3.390 30 40 GGEB COC(=O)c1ccc(CO/N=C/C(=O)Nc2cc(Cl)ccc2OC)cc1 5402396 WEZRTEBSNFWLTB-KEBDBYFISA-N 376.796 3.276 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1 6947241 CCHFUALWNRZEHE-UHFFFAOYSA-N 393.424 3.470 30 40 GGEB COc1ccc([C@H]2C(C(=O)Cc3ccc(Cl)cc3)=C(C)Nc3nnnn32)cc1 72332438 VRYHXNDPJGOCRW-IBGZPJMESA-N 395.850 3.436 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 408626921 YHAOJKKIIBWJIL-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB Cc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)c1 12852937 RIHLSDJOSNLZRD-JXMROGBWSA-N 385.485 3.220 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)c3cc(F)c(F)cc3Cl)CC2)cc1 17843397 MLRGEKHOTICUOK-UHFFFAOYSA-N 375.806 3.448 30 40 GGEB N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1 959239 RQVAIISLJHHQDY-UHFFFAOYSA-N 384.442 3.068 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)/C=C/c2cccs2)CC1 40080488 OFHHVOOXJQAYON-AATRIKPKSA-N 380.429 3.230 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2ccc(F)cc2)N2NN=NC2=N1 2503053 ISYWQHXKYAUZNJ-QGZVFWFLSA-N 393.378 3.042 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2cccc(F)c2)cc1 102928803 HPQLMSFOPOXKIH-LFVOPCPISA-N 397.402 3.421 30 40 GGEB O=C(O)c1cccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 59249324 FTDAOGWPTSARRD-VCHYOVAHSA-N 379.210 3.328 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 2375111 NVTOVLYVEMZUDQ-UHFFFAOYSA-N 392.418 3.228 30 40 GGEB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2C#N)C1=O 7005756 BGQRJKCXYVRIKT-GOSISDBHSA-N 384.233 3.288 30 40 GGEB Cc1ccc(C[C@@H](NC(=O)C(=O)Nc2ccc(CC#N)cc2)c2ccccn2)cc1 72286381 XMYHHVPPMLFFDU-JOCHJYFZSA-N 398.466 3.495 30 40 GGEB C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408809086 HJEUJUJLUKEKIV-LDADJPATSA-N 392.411 3.235 30 40 GGEB COc1cccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)c1OC 3586627 WYCIDODKQOIFPQ-UHFFFAOYSA-N 385.489 3.196 30 40 GGEB Cc1sc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c(C#N)c1C 13005438 HPDPSVACEUUBIN-UHFFFAOYSA-N 375.837 3.254 30 40 GGEB C=CCSc1nc2ccccc2n1S(=O)(=O)c1cccc([N+](=O)[O-])c1 27024501 DXPMGBFPOLRTTC-UHFFFAOYSA-N 375.431 3.460 30 40 GGEB COc1cc(NC(=O)c2cc3ccccc3o/c2=N\OC(C)=O)cc(OC)c1 67341975 KBMQOAULHJCSFZ-XDOYNYLZSA-N 382.372 3.081 30 40 GGEB COc1ccc(Cc2n[nH]c(/N=C(\O)Cc3csc(-n4cccc4)n3)n2)cc1 95474955 YVCZOPUBECBJPK-UHFFFAOYSA-N 394.460 3.482 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccc(F)cc1 4742209 KDUXLDODBSJBFX-AUSJPIAWSA-N 397.402 3.212 30 40 GGEB CN(CCc1ccccn1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@@H]21 35361884 JMHALWDHIFYNGT-OBGHECQKSA-N 384.520 3.083 30 40 GGEB biogenic N#Cc1cccc(OCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 44874311 UAFQMXPKOWIFQY-UHFFFAOYSA-N 379.397 3.428 30 40 GGEB COC1(c2nc(-c3ccccn3)no2)CCN(Cc2cc(C#N)cs2)CC1 583615898 LFITYKYNVTULQN-UHFFFAOYSA-N 381.461 3.202 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252515428 JTSSQVGGACJVGT-QWFCFKBJSA-N 387.432 3.147 30 40 GGEB COc1ccc(C)cc1C1(CNC(=O)N[C@@H]2CCCC[C@H]2C#N)CCOCC1 596195045 DKDPFPKELLVCJY-PKOBYXMFSA-N 385.508 3.433 30 40 GGEB N#Cc1ccccc1OCC(=O)Nc1ccccc1I 3608166 DWGDQEMTAJZLPV-UHFFFAOYSA-N 378.169 3.180 30 40 GGEB O=S(=O)(c1ccc(N/C(S)=N/Cc2ccncc2)cc1)N1CCCCC1 5581007 QHVYJQCGGPWRQY-UHFFFAOYSA-N 390.534 3.154 30 40 GGEB O=C1C(Cl)=C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc21 6140036 QQHWHSVOLUBVCB-UHFFFAOYSA-N 382.224 3.148 30 40 GGEB CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1 20262830 HAKCMFUPYRKLOC-LJQANCHMSA-N 398.459 3.208 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(N(C)C)cc1 3187798 FYGKKWNXKYNZFR-QGZVFWFLSA-N 384.476 3.243 30 40 GGEB CC(=O)c1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)cc1 4945447 PUUXCZXSTHPIIQ-UHFFFAOYSA-N 399.453 3.100 30 40 GGEB COc1cc(OC)cc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c1 408628186 QMOBPOBSBMRCME-UHFFFAOYSA-N 375.475 3.381 30 40 GGEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)cc(Cl)c1OC 409129294 RNRFJRDQIXEYDS-CYBMUJFWSA-N 398.242 3.466 30 40 GGEB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 5373273 MZAYPBDHASJWIR-UHFFFAOYSA-N 383.473 3.374 30 40 GGEB N#Cc1ccc(CN2CCC(Cn3nc(-c4ccncc4)ccc3=O)CC2)cc1 585500370 GSSAOVYKCLTRNJ-UHFFFAOYSA-N 385.471 3.089 30 40 GGEB C[C@H](NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N)c1ccccc1 4945422 XWPIQNNHGVSKCX-JTQLQIEISA-N 385.470 3.136 30 40 GGEB COCCCCN1C(=O)[C@H](Oc2ccc(C#N)cc2)[C@H]1c1cccc(OC)c1 58154902 MMOGLIZLNKXXLL-NHCUHLMSSA-N 380.444 3.324 30 40 GGEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc(OC(F)(F)F)cc1 14143786 TVMNQUBSJBZXSF-UHFFFAOYSA-N 389.337 3.339 30 40 GGEB C=CCNc1nc(C(=O)OCC(=O)Nc2cc(C)nn2-c2ccccc2)cs1 7980491 NKRADMORDKRNOK-UHFFFAOYSA-N 397.460 3.031 30 40 GGEB COCCOc1ccc(Cl)cc1S(=O)(=O)N(CC#N)c1ccccc1 89420204 WUZXEFUYFQRDKF-UHFFFAOYSA-N 380.853 3.084 30 40 GGEB C#CCOc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1 409286323 PTAAQYQRJGGQFQ-UHFFFAOYSA-N 396.244 3.362 30 40 GGEB CCOc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3)c(=O)c2C#N)cc1 409205878 QBTWJOAQWXCLHD-RAXLEYEMSA-N 387.395 3.371 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 32505506 HPALDQHZJLUOCH-UOOAFGRTSA-N 394.562 3.341 30 40 GGEB C=CCOc1ccccc1C=c1sc2nc(-c3ccccc3C)nn2c1=O 254500585 XQBRTSCEVALHKK-UHFFFAOYSA-N 375.453 3.239 30 40 GGEB Cc1c(C(N)=O)sc(NC(=O)c2cc3cc(Cl)ccc3oc2=O)c1C#N 17079174 QRJQXOLAZJPDDM-UHFFFAOYSA-N 387.804 3.039 30 40 GGEB Cn1cc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCCC3)n1 832655 JYDNBCPJVQPHFK-UHFFFAOYSA-N 393.925 3.402 30 40 GGEB aggregator C=C(C)Cn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 984894 BRQJKVIJDGDPFN-UHFFFAOYSA-N 395.528 3.432 30 40 GGEB biogenic C=CCn1c(=O)c2ccccc2n2c(SCCOc3ccccc3)nnc12 2648131 IYJCAWBYTDZUCX-UHFFFAOYSA-N 378.457 3.401 30 40 GGEB N#CCCN(CCC#N)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 7160666 JJGYONKSOZPCCR-UHFFFAOYSA-N 393.394 3.397 30 40 GGEB Cc1cccc(N2CCN(CCCNC(=O)Nc3ccc(C#N)cc3)CC2)c1 27355982 SVTXPACTHHLNOI-UHFFFAOYSA-N 377.492 3.201 30 40 GGEB O=C1N=C(O)/C(=N\Nc2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 5900776 MHFYCOYPMDAVNI-DEDYPNTBSA-N 387.739 3.139 30 40 GGEB CC[C@H](C(=O)N1CCN(C2=CC(=O)CC(C)(C)C2)CC1)n1cnc2ccccc21 12148677 NLLTXYFLDIUYOV-HXUWFJFHSA-N 394.519 3.405 30 40 GGEB CCOc1ccc(-n2c(C)cc(/C=C3\NC(C)=C(C(=O)OC)C3=O)c2C)cc1 19594690 JVINYHRADCMDMM-UNOMPAQXSA-N 380.444 3.453 30 40 GGEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(C)o1 19973795 HZMKQORFEAAGHA-SFHVURJKSA-N 386.448 3.491 30 40 GGEB COc1ccc2cc(/C=C/C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)ccc2c1 6654594 YDJLQQUVVLQFPJ-MOVYNIQHSA-N 380.444 3.459 30 40 GGEB CCCc1ccc(C#N)c(S[C@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)n1 778159 SUGAQCQEHDWPMD-KRWDZBQOSA-N 381.457 3.339 30 40 GGEB COc1ccccc1/C=N/Nc1cnn(-c2ccccc2)c(=O)c1Br 4749586 ULIDAYKEVFMKHA-RGVLZGJSSA-N 399.248 3.450 30 40 GGEB C=CCn1c(SCC(=O)NC2CCCCC2)nc2sc(C)cc2c1=O 6674601 SNPCYKCWPHVVGC-UHFFFAOYSA-N 377.535 3.493 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2ncccn2)cc1 102515318 WCBJLYIZYXZFBG-IBOXJLQUSA-N 377.425 3.473 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 101311953 VXIILHSVWHOTKA-YPLHQEGJSA-N 393.317 3.005 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)N1c2ccccc2NC(=O)C12CCCC2 12401453 PTXNJWBHUASBCL-UHFFFAOYSA-N 391.427 3.244 30 40 GGEB N#Cc1ccc(F)c(CN2C[C@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 58265076 ZVHZHNKKQFTLPE-OAQYLSRUSA-N 379.435 3.477 30 40 GGEB N#Cc1ccc(-c2ccco2)nc1SCC(=O)NCc1ccc2c(c1)OCO2 4372118 MJUOBZVLAPCFDM-UHFFFAOYSA-N 393.424 3.350 30 40 GGEB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3OC)S2)cc1 4879535 PKRYKQPEBGPGAA-SLNYWTKHSA-N 399.472 3.294 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1ccncc1 4937592 LKOHTPZZZMAFFB-UHFFFAOYSA-N 393.472 3.460 30 40 GGEB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3sccc3C#N)no2)cn1 96001874 VTIUXBPCUVXDAH-CQSZACIVSA-N 382.449 3.161 30 40 GGEB N#Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 31661942 WPHIXNJAZRAOSX-LJQANCHMSA-N 384.867 3.407 30 40 GGEB O=C(O)COc1ccccc1/C=N/NC(=S)Nc1cccc(C(F)(F)F)c1 8125187 DGJDVGQJGMLVCG-ZVBGSRNCSA-N 397.378 3.489 30 40 GGEB CC(C)c1c(C(=O)OCC(=O)Nc2ccc(C#N)cc2)cnn1-c1ccccn1 32815292 NYNYQMQXRKLZKX-UHFFFAOYSA-N 389.415 3.058 30 40 GGEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 16737377 LFZMUCVJKHGJHR-HXUWFJFHSA-N 393.439 3.212 30 40 GGEB CCn1cc(/C=C2\Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2ccccc21 28182744 ITWVAVQNRDGLNJ-GRSHGNNSSA-N 376.412 3.450 30 40 GGEB COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)c2ccccc2C1=O 2354706 IGJNUVGBRZLNNT-UHFFFAOYSA-N 381.384 3.256 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N 14255002 QXFBHCIFTTXWER-CQSZACIVSA-N 380.473 3.297 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)ccc1O 408847987 OTRWHADIUVZICV-LDADJPATSA-N 376.412 3.404 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1)S(C)(=O)=O 408615501 BBJCGHFYCJEPPI-QGZVFWFLSA-N 386.517 3.390 30 40 GGEB COCCOC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@H]2[C@H]1c1ccc(Cl)cc1 575083827 KAYIYGGHVUSONB-MNEFBYGVSA-N 375.852 3.004 30 40 GGEB Cc1nc(N2CCC(C(=O)N3CCSCC3)CC2)c(C#N)c(C)c1Cl 2298188651 RAFBHBFTDCMECL-UHFFFAOYSA-N 378.929 3.015 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)o1 100184082 NAOUXJUEBLIFEY-GOWCMNBUSA-N 390.395 3.176 30 40 GGEB CCOc1ccc2[nH]c(=O)c(C[C@H](C#N)C(=O)Nc3ccc(F)cc3)cc2c1 883087 BDZAKKKNVKYLMJ-OAHLLOKOSA-N 379.391 3.387 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)CSc2nnc(-c3ccncc3)n2C)cc1 2661264 YJXKWCYAUCEIMB-UHFFFAOYSA-N 392.488 3.225 30 40 GGEB Cc1ccc(C(=O)OC[C@@H]2O[C@H](C#N)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 4336454 CNZCFLNRRCOAAM-UFYCRDLUSA-N 379.412 3.367 30 40 GGEB Cc1cc(C)n(Cc2cccc(/C(N)=N/OCc3ccc4c(c3)OCCO4)c2)n1 72073219 SZWSUSXLOQOZHK-UHFFFAOYSA-N 392.459 3.157 30 40 GGEB CN1C(=O)/C(=N\NC(=S)Nc2ccccc2C(F)(F)F)c2ccccc21 105505159 NCTVFGUEWAPODO-HMAPJEAMSA-N 378.379 3.373 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](c2ccccc2)c2nccn2C)n1 8746591 NOCBRCDTUFVFGW-IBGZPJMESA-N 391.500 3.302 30 40 GGEB N#Cc1ccccc1CSCCNC(=O)c1cncc(Br)c1 7649010 CDOLQDKYYKMLPB-UHFFFAOYSA-N 376.279 3.379 30 40 GGEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408804096 VSGKHGZNVMVSFH-SFQUDFHCSA-N 394.814 3.327 30 40 GGEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C(=O)O)cc1 252515902 OJTOXKODBHAJFI-JFIYKMOQSA-N 375.833 3.183 30 40 GGEB COc1ccc(-n2nc(NC(=O)Nc3ccccc3)c(C)c(C#N)c2=O)cc1 5724104 JAYCPXJWJKEUCT-UHFFFAOYSA-N 375.388 3.065 30 40 GGEB Cc1nc(N2CCN(c3ncc(C#N)cc3Cl)CC2)cc(C(F)(F)F)n1 1888844232 GRRIXRQZWGFFQK-UHFFFAOYSA-N 382.777 3.051 30 40 GGEB COc1ccc(N2C(=O)C[C@@H](Sc3nc4c(cc3C#N)CCCC4)C2=O)cc1 778165 LZFNQCMQULAUOV-GOSISDBHSA-N 393.468 3.265 30 40 GGEB N#Cc1cccc(OCC(=O)NCCc2ccc(F)c(Br)c2)c1 55865989 ZIFSPGWRHPOBRC-UHFFFAOYSA-N 377.213 3.198 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2cccnc2)cc1 102935194 RPSAILNKOUXLKL-NHFXJNLRSA-N 385.423 3.407 30 40 GGEB Cn1cc(Cl)c(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)n1 694739 ALDAOYXDVWQAHJ-UHFFFAOYSA-N 379.898 3.012 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@]1(O)CC[C@@H]2c1ccc(=O)oc1 118929685 XMFOZWPYGNDNKK-PUUGWCAASA-N 398.499 3.341 30 40 GGEB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc(C#N)cc1 6335204 BPYISZWNOBTEMN-UHFFFAOYSA-N 386.249 3.340 30 40 GGEB C=CCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 27915202 RUJDNAFSZMRFCE-UHFFFAOYSA-N 379.865 3.488 30 40 GGEB O=C1N/C(=N\N=C\c2c(-c3ccccc3)[nH]c3ccccc23)S[C@H]1CCO 27642330 POPGYYIMLJOIBQ-RHLNUJDMSA-N 378.457 3.139 30 40 GGEB N/C(=N/O[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O)c1ccsc1 84374523 RVTJHVXAPUTWJU-ZDUSSCGKSA-N 385.367 3.089 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)C(=O)O)cc1 218381993 QAPGDBRNYPOZDN-JFIYKMOQSA-N 375.833 3.183 30 40 GGEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3[C@@H](O)C[C@@]21C 227060194 KOKWAOHITJLJCF-ZYODCECPSA-N 396.483 3.374 30 40 GGEB biogenic,in-vitro C=CCOc1ccc(C=c2sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 254704142 ITWLTBSDZGEJSY-UHFFFAOYSA-N 375.453 3.239 30 40 GGEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)OC)ccc1Cl 36037450 VDWSMVCPLBXCII-UHFFFAOYSA-N 394.880 3.355 30 40 GGEB COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])cc1OC 831541 IDSNFEJEJBIIPH-CIAFOILYSA-N 396.403 3.160 30 40 GGEB CN1/C(=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)C(C)(C)c2ccccc21 102955093 XUZMCQPIFWGOCD-XSFVSMFZSA-N 384.501 3.431 30 40 GGEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(Br)cc3)sc2nc1N 20436867 BEZAKQIUEFDNIQ-UHFFFAOYSA-N 388.250 3.347 30 40 GGEB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23437946 YUHLIFPIFTVKGU-INIZCTEOSA-N 383.879 3.323 30 40 GGEB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O 8316355 NSWVHRYJFZRMML-FQEVSTJZSA-N 396.834 3.007 30 40 GGEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C/c3ccc(C(C)C)cc3)c(=O)[nH]c12 5164268 IUTAUHIKMQVVMT-SSDVNMTOSA-N 376.416 3.185 30 40 GGEB COc1cc(Cl)ccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C#N)cc1 14022925 RTQBIYBOYDYEPX-SFHVURJKSA-N 396.834 3.487 30 40 GGEB O=C(NCC#CCN1CCc2ccccc2C1)c1cccc(Br)c1 70641602 DSAZPNJQHQJBME-UHFFFAOYSA-N 383.289 3.241 30 40 GGEB CN(C)c1ccc(/C=N/Nc2nc(NCc3ccccc3)nc(N(C)C)n2)cc1 96562341 XRHRAXXAERYRON-HZHRSRAPSA-N 390.495 3.062 30 40 GGEB C=CCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\c1ccc(OC)cc1 14067381 CGYPFYLHABZPLX-XDOYNYLZSA-N 381.457 3.448 30 40 GGEB CCn1cc(C#N)c(=O)c2cc(F)c(N3CCN(c4ccccc4)CC3)cc21 1775967104 FSMZKGSTTARLJA-UHFFFAOYSA-N 376.435 3.359 30 40 GGEB CC(C)C/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1 7883467 ZLHARVOKLDVNMX-LBPRGKRZSA-N 384.299 3.021 30 40 GGEB CC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)[nH]2)c(C#N)c1C 8275590 MFECVWJNKUZGCR-UHFFFAOYSA-N 398.473 3.042 30 40 GGEB CNC(=O)c1ccccc1NCC(=O)Nc1sc2c(c1C#N)CCCCC2 12606492 NRZQGNGLVAHJTJ-UHFFFAOYSA-N 382.489 3.299 30 40 GGEB C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccccc1Cl 17080308 HKWRTRGTHOOJLN-UHFFFAOYSA-N 392.897 3.367 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1C 4468773 CIBOUUKJVMGGBR-HSZRJFAPSA-N 391.471 3.257 30 40 GGEB CO/N=C(/CS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1 5526817 VUCUPKSHGXTBGP-VLGSPTGOSA-N 398.278 3.282 30 40 GGEB N#Cc1nc(-c2cccs2)oc1N1CCN(C(=O)c2ccccc2F)CC1 6670188 BDFSWZMKDFSBJH-UHFFFAOYSA-N 382.420 3.376 30 40 GGEB N#Cc1cc(O)cc(C(=O)NCc2noc(-c3cccc(Br)c3)n2)c1 619450265 ZVPSGZWNQVSRIZ-UHFFFAOYSA-N 399.204 3.006 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1Br 1529454278 UPROOTRZZWRIRW-KPBLAXMKSA-N 385.261 3.145 30 40 GGEB CC[C@]1(C)NC(=O)N(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 6168597 NJYBPHFZIDOFMC-UKKLRFBMSA-N 381.432 3.329 30 40 GGEB COc1ccccc1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12 6623804 AQSSCMNLIVYIHH-UAEZZUHDSA-N 385.504 3.312 30 40 GGEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)o2)c(C#N)c1C 32827209 PVEVSBBYPZIANX-UHFFFAOYSA-N 393.490 3.257 30 40 GGEB CCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 4553466 KIGMIRCCXDKHDH-FGBWHXJSSA-N 379.412 3.032 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 5449612 GPULJNLIPWWOMZ-LJQANCHMSA-N 385.376 3.066 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1OCC#N 19804641 QGLRDOVLWJZBGL-LJQANCHMSA-N 386.407 3.330 30 40 GGEB CN(C)c1ccc([N+](=O)[O-])cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409040860 YXISWFDGAWTXFL-IOXNKQMXSA-N 376.232 3.375 30 40 GGEB COc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1 38252676 IVCWPJGESQTYCW-UHFFFAOYSA-N 376.803 3.492 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)o1 226055797 NDWSIEKUAPQMGA-DZEYFGKKSA-N 383.407 3.205 30 40 GGEB CNC(=O)[C@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(F)cc2)S1 5007227 VZOSPSGZEJDRLR-LTUQMTLXSA-N 389.427 3.233 30 40 GGEB N#Cc1ccc(CN2CCN([C@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 23247719 CCLPYVDVEVSSEY-QHCPKHFHSA-N 388.515 3.040 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3Cc2ccc(C)cc2)c2ccccc21 32090473 KVOAMFNXFUFPQZ-DEOSSOPVSA-N 396.450 3.497 30 40 GGEB CCOC(=O)CC(=O)C[n+]1cc(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 6940935 AZGBPZZVXRRPOH-UHFFFAOYSA-N 382.267 3.218 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2cccs2)cc1 102878649 AUMSWUMVHQBOFD-ASBLKLPYSA-N 399.468 3.357 30 40 GGEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408718763 GTLQPEXELLALLF-UHXVHNPKSA-N 391.383 3.386 30 40 GGEB CC(C)[C@@H](NS(=O)(=O)c1ccccc1C#N)c1ccc2c(c1)OCCCO2 12991715 YORHMCWRXOINEN-HXUWFJFHSA-N 386.473 3.395 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 19938289 ONEVVSGOWOHBFH-IBGZPJMESA-N 382.435 3.356 30 40 GGEB O=C1/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)Sc2ccccc21 33341494 QKQCILZOWMPVBN-UYRXBGFRSA-N 381.453 3.254 30 40 GGEB N#CN/C(=N\c1ccccc1Cl)S[C@@H]1CC(=O)N(c2ccccc2)C1=O 13573747 XATYPCHNKATCBW-OAHLLOKOSA-N 384.848 3.463 30 40 GGEB COc1ccc([C@H](CC(=O)OCc2cn3ccccc3c2C#N)NC(C)=O)cc1 32898906 ULKCAOZTZMXPCT-FQEVSTJZSA-N 391.427 3.130 30 40 GGEB Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2ccc([N+](=O)[O-])cc2)c1 59488843 VIXCZKWQUZYWKZ-VXLYETTFSA-N 390.363 3.419 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2cccc(F)c2)cc1 102928799 HPQLMSFOPOXKIH-WOOAAIBNSA-N 397.402 3.421 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)c1 408617193 ILTMICPTORUZOW-UHFFFAOYSA-N 394.880 3.310 30 40 GGEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCC1(N(C)C)CCCCC1 12900211 NYJIKSPZIVQZPD-OAHLLOKOSA-N 381.480 3.086 30 40 GGEB Cc1[nH]c2ccccc2c1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 4550423 IEUHLLCHOIPGSX-HYARGMPZSA-N 390.495 3.308 30 40 GGEB C[C@]12CC[C@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34C=O)C1=CC[C@H]2c1ccc(=O)oc1 6624486 GINUJYZEMXGGKW-HAPMCFBCSA-N 398.499 3.341 30 40 GGEB biogenic N#Cc1ccccc1OCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O 4959217 LUTQEMWZFKUWDB-UHFFFAOYSA-N 382.375 3.351 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccco2)c1 8845233 JPZBQTPWOTXGSB-GOSISDBHSA-N 385.416 3.293 30 40 GGEB Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1 95116738 ZFLOXPTZCKVXFU-QGZVFWFLSA-N 394.456 3.262 30 40 GGEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1c(C)noc1C)C2 585107176 QMPLLELJHGVTEK-JOCHJYFZSA-N 389.459 3.225 30 40 GGEB COc1ccc(Cl)cc1[C@H](O)CNC(=O)C1(c2cccc(C#N)c2)CCC1 952994849 VGYDQOGAYPFVPT-GOSISDBHSA-N 384.863 3.492 30 40 GGEB C=CCN1CN(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 2235227 IWKYPAFEZAKYEO-UHFFFAOYSA-N 386.864 3.442 30 40 GGEB C#CCOc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1OC 12344315 HSQMMPNMVICBFN-UHFFFAOYSA-N 381.472 3.199 30 40 GGEB COc1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc([N+](=O)[O-])c1O 35278958 DQJDDRBJBVKKBY-AATRIKPKSA-N 389.360 3.231 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2ccco2)c(S(=O)(=O)N2CCCCCC2)c1 4491507 JKRIHXOELPLMMH-QGOAFFKASA-N 392.437 3.199 30 40 GGEB COc1ccc(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N(C)C)n2)cc1 4474094 DIXCVMDZRGHCCK-CIAFOILYSA-N 381.415 3.275 30 40 GGEB CC(C)C[C@@H](NC(=O)OC(C)(C)C)/C(N)=N/OCC(=O)N(C)C1CCCCC1 40158237 SYYVPVIPTDWDKI-MRXNPFEDSA-N 398.548 3.006 30 40 GGEB N#Cc1c(NC(=O)CSc2ncn(-c3ccccc3)n2)sc2c1CCC2 11475756 RQZNOZFYXIHTOB-UHFFFAOYSA-N 381.486 3.420 30 40 GGEB COc1cc(/C=C2\S/C(=N/Nc3ccccc3)NC2=O)cc(OC)c1OC 59488405 WANUXDAXOJZIMN-WJDWOHSUSA-N 385.445 3.299 30 40 GGEB COc1ccc(/C=c2/sc3c(C#N)cc(C(=O)c4ccccc4)n3c2=O)cc1 3444670 HOLCCCFIYBKJTQ-YBFXNURJSA-N 386.432 3.020 30 40 GGEB COc1ccc(N2CSc3nc(-c4cccs4)c(C#N)c(=O)n3C2)cc1 13692947 DUQGKDRQZPFCOA-UHFFFAOYSA-N 382.470 3.379 30 40 GGEB O=S(=O)(/N=C(\O)c1cc2c(s1)-c1ccccc1OC2)N1CCCCC1 64619694 SIDJUODCATZHQU-UHFFFAOYSA-N 378.475 3.343 30 40 GGEB Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc12 95939178 YKMUBQVFFBSPIB-YVEFUNNKSA-N 386.427 3.104 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218055186 LPWLGDPEPPTFOT-LNLFQRSKSA-N 389.860 3.353 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242581717 OCMVOPBDXUPHRP-YQVWRLOYSA-N 389.860 3.353 30 40 GGEB CCOC(=O)c1ccc(Oc2nc3ccccc3nc2[C@H](C#N)C(=O)OC)cc1 32923283 OGMABMKPYYDCSO-HNNXBMFYSA-N 391.383 3.379 30 40 GGEB CCn1cc(/C=C2\Oc3cc(OCC(N)=O)ccc3C2=O)c2cc(OC)ccc21 28182746 CUQCVBRYRADZJB-ZBKNUEDVSA-N 392.411 3.150 30 40 GGEB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O 25349309 REDRRGIDUQAVPS-FQEVSTJZSA-N 396.472 3.032 30 40 GGEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5483974 RNFNQANVJQBKNL-GROYHEBESA-N 385.803 3.236 30 40 GGEB Cc1ccc(C)n1NC(=O)c1ccc(OS(=O)(=O)c2ccccc2C#N)cc1 15329574 DYZKSXVQKMJBLQ-UHFFFAOYSA-N 395.440 3.128 30 40 GGEB CCOc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OCC 408727265 DVGUHISNIYDLAM-ANWRSLTLSA-N 380.444 3.015 30 40 GGEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35262659 YCPFCJIUPTZMCZ-AEFFLSMTSA-N 376.460 3.236 30 40 GGEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218434579 RHKZGZVVHFEOJX-ULQDDVLXSA-N 382.268 3.435 30 40 GGEB COc1ccc(Br)cc1S(=O)(=O)N(CC#N)c1ccccc1 62579924 WKHJYIBWCXVPCR-UHFFFAOYSA-N 381.251 3.177 30 40 GGEB CCC(=O)/N=C(\NCCc1c[nH]c2ccc(OC)cc12)Nc1nc(C)cc(C)n1 18063562 ZJQVWYSMFKKIFX-UHFFFAOYSA-N 394.479 3.120 30 40 GGEB COc1ccc(OC)c([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)c1 102684306 VSCITAHLSFHBFU-SGLNWRHMSA-N 392.415 3.213 30 40 GGEB Cn1ncc(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1C(=O)NCc1ccco1 2797945 WLCMMXARDHCQRV-UFWORHAWSA-N 387.783 3.255 30 40 GGEB O[C@@H](CNCc1ccccc1)COCC(F)(F)C(F)(F)C(F)(F)C(F)F 100238849 JCPBHMJKUXYFQE-NSHDSACASA-N 395.290 3.325 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 102926830 YZXGCZFICNYEER-YDJIHCHBSA-N 395.455 3.462 30 40 GGEB CCn1c2ccccc2c2cc(N3C(=O)Cc4c3nc(N)c(C#N)c4N)ccc21 23968480 XDBWTUZDQAZJJF-UHFFFAOYSA-N 382.427 3.466 30 40 GGEB O=C(O)C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)N(c2ccc(O)cc2)C1=O 9137342 UBMDNGZRWUVUFR-YXXLIMOHSA-N 395.440 3.371 30 40 GGEB COc1ccccc1/N=C1\S[C@@H](C)C(=O)N1S(=O)(=O)c1ccccc1C 4966177 UYPNLKRUZFCPKI-UNQMGURYSA-N 390.486 3.344 30 40 GGEB CCOc1cc(Br)c(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408929205 IHINRFAZNPAFMM-YUFDWGCQSA-N 385.283 3.388 30 40 GGEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc(OC)c1OC 409030656 HJDRNPXCAWSUNU-MPUCSWFWSA-N 378.244 3.426 30 40 GGEB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(C#N)cc2)CCO1 96116729 FCBXJOKJNXLPGA-WMLDXEAASA-N 398.488 3.365 30 40 GGEB COc1cc(/C=N/N=c2/[nH]c(-c3cccs3)c(NC(C)=O)s2)ccc1O 13656180 BJGFUBDYLKHDIC-GIJQJNRQSA-N 388.474 3.412 30 40 GGEB COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 16321935 XGXZLBJLYZFTIB-NRFANRHFSA-N 399.830 3.225 30 40 GGEB COc1ccc(-n2nc(-c3ccc(C#N)cc3)n[n+]2-c2ccc(OC)cc2)cc1 2528034 UGBZTEGFYVZIND-UHFFFAOYSA-N 384.419 3.100 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)c(OC)c1 832443 GHGWJWAYRAXWFZ-IBGZPJMESA-N 391.423 3.445 30 40 GGEB CCCCc1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)cc1 7130079 PDYGIQZGWPROSX-UHFFFAOYSA-N 385.489 3.473 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N 848865 SJSYEZFNLZPPOT-WOJBJXKFSA-N 387.399 3.376 30 40 GGEB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/n1cnnc1SCc1ccccc1 59489946 ZFNVGIVIKQVZBA-RGVLZGJSSA-N 382.449 3.427 30 40 GGEB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC#N)c2ccccc2)cc1 57991195 IQDFTNUWBGDGRH-QGZVFWFLSA-N 397.500 3.420 30 40 GGEB COc1ccccc1/N=C/c1cn(CC(=O)N2CCOCC2)c2ccccc12 408962766 URMDANLUGHFCKK-OEAKJJBVSA-N 377.444 3.259 30 40 GGEB COc1cc2cc(C#N)c(SCC(=O)N3CCC[C@@H](C)C3)nc2cc1OC 1355184 XGSSPXALSYXHQU-CYBMUJFWSA-N 385.489 3.474 30 40 GGEB COc1ccccc1CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 4084745 DNRINTCEPXFLKL-ITWOVIBFSA-N 399.531 3.353 30 40 GGEB C=CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1 8041353 DMMRKAMISWUZHU-UHFFFAOYSA-N 386.473 3.288 30 40 GGEB CC(C)c1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 101316563 JLYIJNVEPBUBOX-FTFAEBDGSA-N 394.562 3.458 30 40 GGEB N#Cc1c(COC(=O)CCC(=O)c2ccc3c(c2)OCCO3)cn2ccccc12 22473455 OKIGXINTMKNNPX-UHFFFAOYSA-N 390.395 3.288 30 40 GGEB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(CC#N)cc1 29967172 KEIAKCMWMJTXSH-UHFFFAOYSA-N 381.251 3.325 30 40 GGEB NC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21 100911424 OPEHLFWZUZDOSS-ZHZULCJRSA-N 379.272 3.078 30 40 GGEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2sc(C)c(C)c2C#N)C1=O 25349311 REDRRGIDUQAVPS-HXUWFJFHSA-N 396.472 3.032 30 40 GGEB COc1cc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc(OC)c1C 3388836 MAQLWMYYFUNSIY-UHFFFAOYSA-N 382.416 3.116 30 40 GGEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C1CCCC2=O 409210369 KBMWQGDPBIWSEI-UHFFFAOYSA-N 396.399 3.093 30 40 GGEB COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2238310 AGLSSNILSSDGRE-JKSUJKDBSA-N 382.464 3.195 30 40 GGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 5853853 QRGOQPYYTVMAKX-QGZVFWFLSA-N 398.440 3.021 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1nc2c(F)cc(F)cc2s1 7990454 LTYHRNHTCFTVHM-UHFFFAOYSA-N 388.399 3.323 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nnc1-c1ccco1 29547527 FKCZJNRZANOZTF-UHFFFAOYSA-N 398.444 3.242 30 40 GGEB CNC(=O)c1ccc(Cl)c(NCC(=O)Nc2cc(Cl)ccc2C#N)c1 78921124 BTFQMUQGZBADBX-UHFFFAOYSA-N 377.231 3.275 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 32505510 HPALDQHZJLUOCH-YTLYVFJMSA-N 394.562 3.341 30 40 GGEB CN(C)c1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 254797036 CZWALWSGPQPRHA-IDPBPBMLSA-N 375.432 3.261 30 40 GGEB CCn1ncc([C@@H](C#N)c2nc3ccccc3s2)c(Br)c1=O 3268579 OWXDMZAQRKFNAW-SECBINFHSA-N 375.251 3.291 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OCC 3580180 CYTCITQXQIMRMJ-UHFFFAOYSA-N 395.484 3.179 30 40 GGEB Cc1c(NC(=O)c2ccccc2SCC#N)c(=O)n(-c2ccccc2)n1C 21706720 REUUALNVBYUDPL-UHFFFAOYSA-N 378.457 3.352 30 40 GGEB Cc1occc1C(=O)Nc1nc(CC(=O)NCC#Cc2ccccc2)cs1 45060925 HXEPQFBSDQZANJ-UHFFFAOYSA-N 379.441 3.007 30 40 GGEB CCOC(=O)Nc1ccc(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)cc1 17843706 OFXBYMCJWKIGEX-UHFFFAOYSA-N 392.459 3.085 30 40 GGEB C[C@H]1Cc2cc(S(=O)(=O)N(CCC#N)Cc3ccccn3)cc(Cl)c2O1 97590923 JEAKQKGYDMUXMZ-ZDUSSCGKSA-N 391.880 3.163 30 40 GGEB N#CCCN(Cc1ccccn1)Cc1nnc(C(=O)Nc2ccccc2)s1 95454778 NVQBFACHGLKFJP-UHFFFAOYSA-N 378.461 3.101 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nc(-c3cccs3)oc2=O)c1 31760871 XKAOZUYOCOMCEV-UHFFFAOYSA-N 382.445 3.129 30 40 GGEB Cc1nc2c(n1CCO)CC[C@H](Nc1c(C#N)cnc3c(Cl)cccc13)C2 601184526 MNEMTYLSQSLABN-AWEZNQCLSA-N 381.867 3.227 30 40 GGEB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2ncccc2C#N)CC1 1888942789 OWBOHQMJWVZFMB-UHFFFAOYSA-N 377.423 3.027 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2OCC)nc2ncccc2c1=O 31615193 NPLUBRKKANHNKJ-UHFFFAOYSA-N 396.472 3.107 30 40 GGEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 4629610 CFYQHNQNEDNGFQ-LJQANCHMSA-N 380.444 3.475 30 40 GGEB N#Cc1cc2c(N)c(C(=O)NCc3ccc(C(F)(F)F)cc3)sc2nc1N 20079850 WKUGNECEQAYCPX-UHFFFAOYSA-N 391.378 3.281 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)no1 102896390 NMFNIZFYIGFTCB-GHNGSUTGSA-N 393.399 3.268 30 40 GGEB CC[C@H](C(=O)Nc1cccc(C#N)c1)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324691 HRNBLELTDKANMJ-GOSISDBHSA-N 393.834 3.420 30 40 GGEB Cc1nn(CSc2nnc(C)n2/N=C/c2ccccc2F)c(C)c1[N+](=O)[O-] 2733209 YAHVNNSBEFIXSJ-QGMBQPNBSA-N 389.416 3.079 30 40 GGEB Cn1c([C@@H](C#N)c2cnn(-c3ccccc3)c(=O)c2Cl)nc2ccccc21 25337580 XZFRPICNQVLFKO-AWEZNQCLSA-N 375.819 3.428 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)N2CCCC2)nnc1-c1cccc([N+](=O)[O-])c1 10481080 JZECGCADPUPGAU-ZDUSSCGKSA-N 387.465 3.142 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1Cl 409143428 NDWCHGVSESWYLA-MRXNPFEDSA-N 389.835 3.369 30 40 GGEB COc1ccc(C(=O)Nc2ccc(C#N)cc2)cc1S(=O)(=O)NC1CCCC1 3359470 QMQIDZSTSFWOIK-UHFFFAOYSA-N 399.472 3.040 30 40 GGEB COc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C(/C)CC(C)C)NC2=O)cc1 17242642 KGYQXWWFHPEQHL-NGZBARDMSA-N 376.482 3.033 30 40 GGEB CCCOc1ccc(OCCSc2[nH]c3ccccc3[n+]2CC(=O)O)cc1 6361539 ZGNHBLCHUMDTAZ-UHFFFAOYSA-O 387.481 3.500 30 40 GGEB COc1ccc(Nc2[nH]nc(NS(=O)(=O)c3ccc(C)c(C)c3)c2C#N)cc1 95944013 JLKDAYNTYJBLCX-UHFFFAOYSA-N 397.460 3.451 30 40 GGEB COCCOS(=O)(=O)c1ccc(N2CCC(c3ccc(Cl)cc3)=N2)cc1 255190010 UJGIVARTKNNSEO-UHFFFAOYSA-N 394.880 3.306 30 40 GGEB CC(=O)Nc1ccc(C(=O)NCC#CCOc2cccc(C(F)(F)F)c2)cc1 90610454 MUMTYGLMLCMQIJ-UHFFFAOYSA-N 390.361 3.476 30 40 GGEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccc(O)cc1 19087877 MABCNWUERFEOEW-HXUWFJFHSA-N 376.412 3.401 30 40 GGEB C=CCn1c(N2CCC(C(=O)NC[C@@H]3CCCN3CC)CC2)nc2ccccc21 19527228 RGWJDQDNWMDRMW-IBGZPJMESA-N 395.551 3.039 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1ccc(O)cc1)c1cccs1 18209437 LHHFAGKZQCWCGY-YOEHRIQHSA-N 385.441 3.211 30 40 GGEB COC(=O)[C@H](c1ccccc1Cl)N1CCN(Cc2ccccc2C#N)CC1 24825895 PIQVLMYYESIPCT-FQEVSTJZSA-N 383.879 3.244 30 40 GGEB N#Cc1ccc(NC(=O)CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 4739930 DMETVODYDVRTNW-UHFFFAOYSA-N 394.450 3.155 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1cc(C)cc(C)c1 35290435 IXNUHNMFMQNQRD-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cccc(O)c2)cc1 13004608 ILQDIOHUGTWKJN-LJQANCHMSA-N 397.427 3.016 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]13O[C@@H]3C[C@H]2c1ccc(=O)oc1 119422293 LFLJTMIVTFTLOA-ASHPLKFNSA-N 398.499 3.437 30 40 GGEB biogenic N#Cc1ccc(N2CCCN(c3ccc(S(=O)(=O)C(F)F)cc3)CC2)cc1 52189415 XGQFFECEQNCHFP-UHFFFAOYSA-N 391.443 3.271 30 40 GGEB CN(Cc1nc2ccccc2n1C(F)F)S(=O)(=O)c1cccc(C#N)c1 12535304 LEIQAJZBSMZHAY-UHFFFAOYSA-N 376.388 3.124 30 40 GGEB C/C(O)=N/S(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 3330121 XICASAQUTGNNFI-UHFFFAOYSA-N 396.490 3.078 30 40 GGEB CC(C)n1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCC2 12915466 DBXZNMROBBVQAU-UHFFFAOYSA-N 376.511 3.187 30 40 GGEB O=C(O)COc1ccc(Br)cc1C=C1C(=O)c2ccccc2C1=O 408915819 ZNYKFLKRLONNJR-UHFFFAOYSA-N 387.185 3.375 30 40 GGEB Cc1cc[n+](CC(=O)Nc2ccc(Br)cc2Br)cc1 6784334 QFBJSKBZKPOSSJ-UHFFFAOYSA-O 385.079 3.446 30 40 GGEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NCCC1=CCCCC1 7564473 DAWRXHDHFXDRGV-OAHLLOKOSA-N 383.448 3.091 30 40 GGEB COc1cccc(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@H]2C)c1 89939395 BCLYIGOAKOEHMA-OAHLLOKOSA-N 398.894 3.369 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 32505399 JVKYSKVISQMZCM-SMXHQDLGSA-N 380.535 3.095 30 40 GGEB CN1C/C(=C/c2ccc(C(=O)O)cc2)C(=O)/C(=C\c2ccc(C(=O)O)cc2)C1 31818583 XGQLCAXJLKEWEU-BJPQZVBLSA-N 377.396 3.065 30 40 GGEB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(/C=N/c2ccc(O)cc2)cc1 5569218 HUOFXZKENOFOSO-CEWXCCTESA-N 378.344 3.423 30 40 GGEB Cc1sc(NC(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)c(C#N)c1C 40140460 PTJZUSQOZUMWMF-UHFFFAOYSA-N 384.436 3.493 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Br)s1 1104380 FLVKDCCQPYXMGM-CYBMUJFWSA-N 398.278 3.365 30 40 GGEB COc1ccccc1OCc1nc(C#N)c(N2CCN(c3ccccc3)CC2)o1 934562 ITZHBOZQVDJUHF-UHFFFAOYSA-N 390.443 3.460 30 40 GGEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCC(C(=O)Nc2ccccc2)CC1 12881613 IPVHIKUHOYDBCF-MRXNPFEDSA-N 376.460 3.236 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)Cn3cnc4sccc4c3=O)c2C#N)C1 12986996 LKIPFVKGZBCBPG-SNVBAGLBSA-N 384.486 3.155 30 40 GGEB Cc1ccc2c3c1/C(=N\NC(N)=S)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 18179056 AEDXTADOCCHRIO-ZRZWOPFXSA-N 392.528 3.367 30 40 GGEB CC(=O)N1C[C@@H](C(=O)Nc2ccccc2SCCC#N)Oc2ccccc21 95953449 GDWPZUCCJFYPOV-SFHVURJKSA-N 381.457 3.445 30 40 GGEB CN(C)S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)c(C#N)c(S)n2)cc1 32624679 FCEGHBOAHAFFLY-UHFFFAOYSA-N 387.408 3.178 30 40 GGEB C[C@H](C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)n1cnc(C#N)n1 564126845 DTMPLWAFFVFYBS-LLVKDONJSA-N 378.263 3.424 30 40 GGEB N#Cc1nc(-c2cccc(F)c2)oc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 138162604 OWXCENZWYMLYHR-DZGCQCFKSA-N 376.391 3.138 30 40 GGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)c1 223727685 YBQLLZKQVPQJKF-UHFFFAOYSA-N 377.462 3.089 30 40 GGEB CCCCOc1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 20149890 UVSOMKNCWRXTJA-KNTRCKAVSA-N 398.532 3.367 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)cc1C(F)(F)F 50204855 APTADNBTDHSHCM-UHFFFAOYSA-N 396.346 3.301 30 40 GGEB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 2742748 XPSZFJAUFZUCCG-QMMMGPOBSA-N 393.856 3.450 30 40 GGEB C=CCOc1ccc(C2=NO[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(C(C)(C)C)C(=O)[C@@H]45)[C@H]23)cc1 5303048 DEHBZFXECLPMEV-PYCASWLRSA-N 394.471 3.020 30 40 GGEB N#CCCN(Cc1ccco1)C(=O)COC(=O)c1ccccc1Br 14159775 LTMYREFKTPQWGS-UHFFFAOYSA-N 391.221 3.141 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccnc2)/C1=C(O)/C=C/c1ccco1 8973494 RVGSHKKTADFLLP-BXASYLHOSA-N 387.395 3.248 30 40 GGEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@@H]1CC[C@H](SC)C1 78947775 GHYZKCIWDWKHJK-SJORKVTESA-N 392.569 3.168 30 40 GGEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccccc1F 408600584 DTFGLEOXDWNVFD-UHFFFAOYSA-N 379.185 3.486 30 40 GGEB CN1CCc2c(sc(NC(=O)Cn3cc(C=O)c4ccccc43)c2C#N)C1 408581473 IJZMKISUFJTTNI-UHFFFAOYSA-N 378.457 3.014 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCNC(=S)Nc1ccccc1)OCO3 35291476 AEQBLVKKLXFNLX-UHFFFAOYSA-N 391.456 3.234 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C(/N=N\c2ccc(C(=O)O)cc2)c2ccccc2)n1 85894774 LYGOOYSZLYPAOV-OFRFZVLPSA-N 376.376 3.334 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C2\Nc3ccccc3[C@H](c3ccccc3)N2)cc1 5746427 WLFNDBWNQWDBEF-FQEVSTJZSA-N 392.484 3.349 30 40 GGEB N#Cc1nccnc1N1CCC(c2ccc3cc(-c4cncnc4)cnc3n2)CC1 1889020540 SSCQYUZFGCZEKB-UHFFFAOYSA-N 394.442 3.132 30 40 GGEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 3893178 GABRFRZVNHDYMU-IAGOWNOFSA-N 376.522 3.167 30 40 GGEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNC[C@H]1NCCc2ccccc21 100146718 KSEUZXVMUSLZRQ-FBLFFUNLSA-N 378.447 3.202 30 40 GGEB CN(C)c1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795076 UICLVEDAOHWFEU-APWZRJJASA-N 396.443 3.103 30 40 GGEB CCOc1cc(C#N)cc(Br)c1OS(=O)(=O)c1ccccc1 23864048 DUNKBVSCTQWWQK-UHFFFAOYSA-N 382.235 3.487 30 40 GGEB N#Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1 3562066 NKJMZKQNUMQQKW-UHFFFAOYSA-N 384.457 3.342 30 40 GGEB Cc1sc2nc(CSCC(=O)Nc3ccccc3C#N)[nH]c(=O)c2c1C 8694028 DTJUQPZHTMALSZ-UHFFFAOYSA-N 384.486 3.345 30 40 GGEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccccc2Br)n1 6757800 TYNAMGVHUGOFKF-UHFFFAOYSA-N 397.236 3.166 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccco2)c1 8845234 JPZBQTPWOTXGSB-SFHVURJKSA-N 385.416 3.293 30 40 GGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OCC 409229561 RAMWGHXELDOOBW-QGOAFFKASA-N 376.412 3.190 30 40 GGEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Br)c1OC 408928585 CLGMBIJXGYYBJB-MSEWRAJFSA-N 385.283 3.388 30 40 GGEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224760040 QMCZWLILCJCGHX-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB N#C[C@H](C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1)c1nc2ccccc2s1 41498289 WCEUQSGQRAMRGR-CQSZACIVSA-N 390.399 3.471 30 40 GGEB C=C(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2 3178298 GCKPVMHULZWMMP-UHFFFAOYSA-N 381.384 3.012 30 40 GGEB C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O 641552 UFLSJHIMQGXCSZ-UHFFFAOYSA-N 391.496 3.260 30 40 GGEB COc1ccc(CNC2CCN(c3ccc(C#N)cn3)CC2)c(Cl)c1OC 107317272 SIRONZGPPXTYCZ-UHFFFAOYSA-N 386.883 3.382 30 40 GGEB COc1ccc(OC)c(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)c1 2316023 PSGQBJBTFPAFAJ-LSFURLLWSA-N 382.807 3.431 30 40 GGEB O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@@H]1Cc1cccc(Cl)c1 5006080 YKYTVJZJXKPYGZ-GDXCHIGESA-N 388.836 3.412 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/[C@H]2CC=CCC2)c([N+](=O)[O-])c1 5020171 XZNBMMUDQPKPMO-RAOBZKRQSA-N 380.470 3.379 30 40 GGEB CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 4328591 JKVXZISQSJLZAM-IXDOHACOSA-N 395.507 3.157 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccnc1 5931259 IJWSIDZBHGDCNU-CQSZACIVSA-N 382.489 3.478 30 40 GGEB COc1cc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 9225538 OPTNWEHEYMZDKQ-BUXKBTBVSA-N 378.388 3.001 30 40 GGEB COc1ccc(-c2n[nH]c(SCC(=O)[C@H](C#N)c3nc(C)cs3)n2)cc1 7977048 IZLRNMQVDCZDCI-ZDUSSCGKSA-N 385.474 3.214 30 40 GGEB O=C(O)c1ccc(S(=O)(=O)NN=C2c3ccccc3-c3ccccc32)cc1 97022065 DUPKPTAEYMAILZ-UHFFFAOYSA-N 378.409 3.096 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccccc1C 33936398 WPPMTBIZQLKTPS-FMEYXAORSA-N 397.471 3.171 30 40 GGEB C=CCN(c1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 223922976 DMMRMMBWHPHUJR-UHFFFAOYSA-N 392.908 3.265 30 40 GGEB C=CCN(Cc1ccc(C(=O)NCC(C)C)cc1)S(=O)(=O)c1ccccc1 224467694 NEGPETCZOQHQEW-UHFFFAOYSA-N 386.517 3.449 30 40 GGEB Cc1ccc(Br)cc1S(=O)(=O)/N=C(\O)c1cccc2cn[nH]c12 48487672 DFOIYZXAISXHIS-UHFFFAOYSA-N 394.250 3.327 30 40 GGEB Cc1nc2cc(F)ccc2c(=O)n1CC1CCN(c2cccc(C#N)n2)CC1 1888901238 DKURORWDKTZQFA-UHFFFAOYSA-N 377.423 3.027 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 6757803 ACBVLXGIPBFSKE-UHFFFAOYSA-N 382.807 3.422 30 40 GGEB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccc(C#N)cc1 8037120 JOUMSNQTNIXUSO-UHFFFAOYSA-N 382.445 3.487 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)c1 408618506 JTFYBYXZQJBASA-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB O=C(O)COc1ccccc1/C=N\n1c(S)nnc1-c1ccc(Cl)cc1 1478061 KYEWRHUETZADAF-OCKHKDLRSA-N 388.836 3.233 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2cccc(OC)c2OC)cc1 1255288 UNZWXBYGPSZAHE-KYPJYIKXSA-N 399.472 3.178 30 40 GGEB CCOc1ccc(-n2cc(C(=O)c3cc(OC)ccc3O)cc(C#N)c2=O)cc1 3286165 LJPWRFTWTCPAHQ-UHFFFAOYSA-N 390.395 3.053 30 40 GGEB C=CCN1C(=O)N[C@@H](c2cc(Br)ccc2OC)C(C(=O)OC)=C1C 14236520 JKXXMIGNJCVBSW-HNNXBMFYSA-N 395.253 3.157 30 40 GGEB CCc1ccc(C[C@H]2S/C(=N\N=C\c3ccc(O)c(OC)c3)NC2=O)cc1 5961699 CHBCYHRUFSTZDN-AGKWGAAGSA-N 383.473 3.127 30 40 GGEB Cc1nn(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c(C#N)c1C 7780720 LZTCWAXIASOAEV-UHFFFAOYSA-N 384.745 3.043 30 40 GGEB COC(=O)COc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408751261 YNSQBCUDJCGVRC-SWNXQHNESA-N 399.190 3.294 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32508307 GTRPEIYCQGMFAG-NNGLLJABSA-N 394.562 3.341 30 40 GGEB C=CCO[C@H]1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)c2cc(C)ccc21 585105646 UXPCTWUOFQHOSS-NRFANRHFSA-N 379.504 3.479 30 40 GGEB C=CCn1cc(C(=O)Nc2nc(C)cs2)c2nn(-c3ccccc3)c(=O)c-2c1 9663196 GWOCWLZFHMGBJN-UHFFFAOYSA-N 391.456 3.342 30 40 GGEB CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1 20000533 JZORSUIGNQUEEN-UHFFFAOYSA-N 382.489 3.071 30 40 GGEB aggregator O/N=C1\CC[C@H]2C[C@]3(Cc4ccccc4)C[C@H]1[C@]2(N1CCOCC1)C/C3=N\O 104183808 QNEAMANBFQKGEZ-PPTNDSAESA-N 383.492 3.171 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc(F)cc2)o1 1019886 LKPXPBWWKRCSIH-CRAIPNDOSA-N 385.391 3.484 30 40 GGEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CN(Cc1ccsc1)C1CC1 58197260 MEIQYSUXXSFEBY-UHFFFAOYSA-N 377.473 3.409 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1nc(-c2ccc(O)c(O)c2)cs1 22913074 GDLAPCMFJZNZHI-WQLSENKSSA-N 380.381 3.319 30 40 GGEB in-vitro CN(C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)C1(C#N)CCC1 65540848 NNSVKOZUNBRMGC-CYBMUJFWSA-N 383.395 3.413 30 40 GGEB O=S(=O)(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 5682969 KFXHQBCEWWWHCZ-UHFFFAOYSA-N 377.897 3.270 30 40 GGEB CC(C)C(=O)OC1=C(C(=O)c2ccccc2)N(C)S(=O)(=O)c2ccccc21 6759841 WRKOEDXBDHQKCJ-UHFFFAOYSA-N 385.441 3.071 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N(C)Cc2ccccc2)nc1C 7149702 JUDUNZNCKXBGKZ-UHFFFAOYSA-N 383.473 3.189 30 40 GGEB N#CCCCS(=O)(=O)N1CCCN(c2ccc(Cl)c(Cl)c2)CC1 95465300 UJYBDDKXRNTAAX-UHFFFAOYSA-N 376.309 3.139 30 40 GGEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 225109809 ASYHBPAZAGAFTQ-UHFFFAOYSA-N 393.436 3.311 30 40 GGEB C=CCn1c(C)nnc1SCc1nc(N)nc(Nc2ccc(Cl)cc2)n1 12787282 ANLYITVVMKWPLQ-UHFFFAOYSA-N 388.888 3.229 30 40 GGEB C#CCOc1cccc(CN2CC[C@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1 12255381 GUGBMMYTXXYNCN-SFHVURJKSA-N 376.460 3.053 30 40 GGEB N#Cc1c(F)cccc1N1CCN(c2ccc3ncccc3c2[N+](=O)[O-])CC1 40153598 RWNTYFHXEVHWQT-UHFFFAOYSA-N 377.379 3.480 30 40 GGEB COc1ccc(-c2n[nH]c(/N=C(\O)[C@H](C)Oc3cccc(C#N)c3)n2)c(OC)c1 60330352 HGMHCSPWOBQBJZ-LBPRGKRZSA-N 393.403 3.416 30 40 GGEB N#Cc1ccc(CSCC(=O)N2CCN(CCc3ccccc3)CC2)cc1 48172064 RCVZVEPTUNZUHD-UHFFFAOYSA-N 379.529 3.178 30 40 GGEB O=C(/C(=C(/S)NCc1ccc2c(c1)OCO2)[n+]1ccccc1)c1cccs1 3343680 LTOKKBOAIOCQOK-UHFFFAOYSA-O 397.501 3.493 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3576047 VXJVXSOQQPFNAP-UHFFFAOYSA-N 387.411 3.058 30 40 GGEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccc(O)c1 5864574 QUEYCVMJRFJWKH-AWEZNQCLSA-N 383.473 3.398 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)Nc1ccccc1)OCO3 35311293 SXTACYYQHXWETB-UHFFFAOYSA-N 389.415 3.459 30 40 GGEB N#CCSc1nc2cc(F)ccc2c2nc(=O)c(-c3ccc(F)cc3)nn12 585157902 HRUMECFEINTPTC-UHFFFAOYSA-N 381.367 3.199 30 40 GGEB C=CCn1c(=S)sc2c(=O)n(Cc3nc(Cc4ccccc4)no3)cnc21 36844703 JISXLWXEKWZOAZ-UHFFFAOYSA-N 397.485 3.197 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 16639454 KOHIZHGUQPJJGQ-UHFFFAOYSA-N 380.853 3.065 30 40 GGEB N#CC1(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CCCCCC1 42675997 NZLFSFIFBQGQNC-UHFFFAOYSA-N 375.778 3.253 30 40 GGEB N#CCCN(C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 3244076 JRCWULXAIYBKOU-UHFFFAOYSA-N 391.452 3.295 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCc3cccc([N+](=O)[O-])c3)nnc12 3260200 JJDHVEGJHHBSGH-UHFFFAOYSA-N 393.428 3.431 30 40 GGEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3cccc(NC(C)=O)c3)ccc2c1=O 12607398 SGQOIUCJQFUCKE-UHFFFAOYSA-N 394.456 3.456 30 40 GGEB CCN1C(=O)C[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 12631683 DWMMBCBRCFISLX-HZSHHLKBSA-N 397.456 3.365 30 40 GGEB N#CCCn1cc(/C=C/C(=O)Oc2cccc(-n3cnnn3)c2)c2ccccc21 3416712 JNFLNQRPFPCTIQ-MDZDMXLPSA-N 384.399 3.149 30 40 GGEB N#C[C@H](c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 6942921 PNZVKGZSGBYOFT-GOSISDBHSA-N 396.447 3.408 30 40 GGEB COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N/NC(N)=S)cc2)cc1 35387483 VNMLLSNSUDHLNN-DQGRHAAVSA-N 383.473 3.275 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc2c(c1)OCO2 13124074 WVRHGKLBMVEDMG-IBGZPJMESA-N 395.411 3.030 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795047 QPCLOHNBOQLQPF-QFBILLFUSA-N 397.427 3.436 30 40 GGEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2ccc(C)c(C)c2[nH]c1=O 883091 FGLLXXWQVBUSNU-KRWDZBQOSA-N 375.428 3.475 30 40 GGEB Cc1sc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C#N)c1C 6545651 WOARZFIHKXHIJZ-UHFFFAOYSA-N 386.433 3.234 30 40 GGEB CCN1CCN(c2ccccc2NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1 8025256 VMEYELKJTSOGKZ-QGZVFWFLSA-N 378.476 3.106 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102799179 TYOXNODVSHSVFH-BCTIHFFESA-N 381.403 3.426 30 40 GGEB CCOc1ccc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)cc1OC 2267384 JKWHSEYSBXISMW-WSDLNYQXSA-N 376.416 3.476 30 40 GGEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OC)c(O)c3)C(=O)N2C)cc1 5033195 RJMIYRCIXVPBTP-YBLIXAOFSA-N 398.440 3.421 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1C 4519850 MEVRFKJZWBWNQS-UHFFFAOYSA-N 386.506 3.330 30 40 GGEB C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)ccc1OCC(=O)OC 408853428 SFCUVQRGWBKGBZ-RRZDCZAYSA-N 388.489 3.279 30 40 GGEB O=C(/C=C/c1cn(C[C@@H](O)CN2CCOCC2)c2ccccc12)c1cccs1 19901306 KNSVPMPQEKEHRK-DVBCCOPCSA-N 396.512 3.292 30 40 GGEB COc1ccccc1[C@@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1CCC(=O)O 19904219 JKBLFFSMYXUFHE-LJQANCHMSA-N 395.411 3.057 30 40 GGEB COc1ccccc1/C=C1/S/C(=N/Nc2nc(C)c(C(C)=O)s2)NC1=O 5853258 COKVYQHBAPVMTI-MDWZMJQESA-N 388.474 3.250 30 40 GGEB O=C1C(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)=CO[C@@H]2C=CC=C[C@H]12 17078261 CLYANVQYQSKDFJ-QGLQCQMHSA-N 383.400 3.499 30 40 GGEB Cc1ccc(OCCN2C(=O)C[C@H](C(=O)O)S/C2=N\c2ccccc2)cc1 40546202 FIOBTUJHKVJKTF-QBEKEKFNSA-N 384.457 3.480 30 40 GGEB COc1cccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)c1 102929381 LRWPZPGNBUMHFS-FCQICNGXSA-N 399.468 3.357 30 40 GGEB COc1ccc(/C=N/N=C2/SCC(=O)N2/N=C/c2ccc(OC)cc2)cc1 100365933 IBMRYFMTGCUBAX-XDKUGCCVSA-N 382.445 3.003 30 40 GGEB N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(C(=O)c2ccccc2F)CC1 12418300 CTKBJDSSRYPTKO-UHFFFAOYSA-N 394.381 3.454 30 40 GGEB O=[N+]([O-])c1cc(Br)cc(/C=N\Nc2nc3ccccc3[nH]2)c1O 50942668 SWGJLDYIAXIWHU-APSNUPSMSA-N 376.170 3.385 30 40 GGEB N#CC1(NC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)CCCC1 6087594 CRMHYVAYEJVKLI-UHFFFAOYSA-N 396.447 3.217 30 40 GGEB CC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\Cc3ccc(C)cc3)NC2=O)cc1 6300128 QPIBPJJUVHEDEQ-SFHVURJKSA-N 395.484 3.314 30 40 GGEB CCCCCCCCNC(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1 408977352 WWTVLAYUHXOGGA-UHFFFAOYSA-N 380.448 3.368 30 40 GGEB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc4c(c3)n(C)c(=O)n4C)S2)cc1 4739867 LEDGGJKFFQWRLX-GZTJUZNOSA-N 378.457 3.077 30 40 GGEB COc1cc(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c1OC(C)C 409402786 GCIFQNUTPWXAFG-MWDDYTRKSA-N 388.851 3.277 30 40 GGEB COc1cccc(NC(=O)NCC2CCN(c3ncccc3C#N)CC2)c1OC 70929535 XLSKHZZFIJQLJP-UHFFFAOYSA-N 395.463 3.009 30 40 GGEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1 225658251 PVOCQCDGBJGREJ-QYZOEREBSA-N 375.877 3.344 30 40 GGEB Cc1cc(Br)c(-c2ccc(/C=N/Nc3nncn3N)o2)cc1C 4501961 RYEYWEZPHOOBQC-CNHKJKLMSA-N 375.230 3.077 30 40 GGEB N#Cc1c(NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 4496413 GIVUUOYONOHMPM-UHFFFAOYSA-N 378.450 3.050 30 40 GGEB N#Cc1ccc(COCC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 206599444 RZXPOQILPGDZBG-UHFFFAOYSA-N 378.428 3.356 30 40 GGEB O=CC[C@@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 4769179 MFDVHNZBVJVEJX-DHIUTWEWSA-N 376.452 3.306 30 40 GGEB COc1ccc([C@@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c(OC)c1 102717424 WFPVKCNKMSFYHM-SQBLYHGDSA-N 392.415 3.213 30 40 GGEB COc1ccccc1[C@@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1C[C@H]1CCCO1 102862434 YNOVZBYOGBOQBZ-MUMUDSPHSA-N 399.468 3.357 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N/N=C\c2cccc(OC)c2OC)cc1 100758621 UNZWXBYGPSZAHE-TYKZNTAHSA-N 399.472 3.178 30 40 GGEB CCN(CC)S(=O)(=O)c1cc(C(=O)OCc2ccccc2C#N)ccc1F 12851973 HMEJNPHXFBNLJQ-UHFFFAOYSA-N 390.436 3.085 30 40 GGEB C=C(Br)CNC(=O)[C@H]1CCCN1C(=O)c1ccc(Cl)s1 49296748 CSQWVNAHDAZUIB-SECBINFHSA-N 377.691 3.031 30 40 GGEB CCOC(=O)C1=C(NC(=O)c2ccccc2C)S/C(=C\c2ccco2)C1=O 409056591 SCUGVVAZICMMER-PTNGSMBKSA-N 383.425 3.450 30 40 GGEB COc1cccc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)c1 409357443 IGARCJUVUIMFSM-UHFFFAOYSA-N 388.427 3.400 30 40 GGEB C=CCc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1OC 408705826 OECPMDHCNWYWQY-UHFFFAOYSA-N 394.471 3.110 30 40 GGEB O=[N+]([O-])c1ccc(O)c(/N=C/c2cc(Br)c(N3CCOCC3)o2)c1 408850641 PZZXMPLQSUNOOE-RQZCQDPDSA-N 396.197 3.243 30 40 GGEB COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)c1 16956400 SOKRJBHONAEFQH-UHFFFAOYSA-O 392.479 3.353 30 40 GGEB C[C@H](OC(=O)C1(CC(=O)NC(C)(C)C)CCCC1)C(=O)Nc1ccccc1C#N 40010049 BNLOVQZFJRSXPJ-HNNXBMFYSA-N 399.491 3.294 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1C 33936395 WPPMTBIZQLKTPS-OMWUSAIZSA-N 397.471 3.171 30 40 GGEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC[C@@H]1CCCO1 3275511 QRFKZMASOGNAGW-INIZCTEOSA-N 396.468 3.161 30 40 GGEB Cc1ccc(C)c(C(=O)O/N=C(\N)c2ccc(I)cc2)c1 12655395 YNFROZAWVWEMRX-UHFFFAOYSA-N 394.212 3.385 30 40 GGEB C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 28985327 FPBLSUXKLYIXHS-LBPRGKRZSA-N 385.445 3.416 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(c3nccs3)[C@@H]2c2ccncc2)c1 5408852 ADMRJTPSSMQVTO-MRXNPFEDSA-N 393.424 3.330 30 40 GGEB CNc1ccc(Br)cc(C(=O)/C=C/c2ccc3c(c2)OCO3)c1=O 4667414 FPEJLRXAFSOLOG-QHHAFSJGSA-N 388.217 3.476 30 40 GGEB COc1ccc(-c2c[n+](CC(=O)c3ccc(OC)c(OC)c3)c3n2CCC3)cc1 16996425 PUWPFMWCOOBYNB-UHFFFAOYSA-N 393.463 3.298 30 40 GGEB CCn1nc(C)c(CNC(=O)C2CCN(c3ccc(C#N)cc3F)CC2)c1C 560485985 ORDXKFRMLQMKJI-UHFFFAOYSA-N 383.471 3.063 30 40 GGEB CS(=O)(=O)N(CCCC(=O)Nc1ccc(CC#N)cc1)c1ccccc1F 222653355 SYIJLJZQMIURQJ-UHFFFAOYSA-N 389.452 3.077 30 40 GGEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[C@H]2CCS(=O)(=O)C2)cc1 95116768 KDMYGLCMDQPWLK-ZFJBLLOBSA-N 395.484 3.154 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCc2cc3c(cc2Cl)OCO3)[nH]c1=O 16687747 VVLHSTSXDSVZQG-UHFFFAOYSA-N 392.820 3.098 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(F)c2)C3=O)CC1 20533334 AMRWDTVEVSGLDF-MOSHPQCFSA-N 382.435 3.285 30 40 GGEB CCCNc1nnc(SCc2c(C(=O)OCC)sc(N)c2C#N)s1 7793268 RWEMQGATRKPVCI-UHFFFAOYSA-N 383.524 3.344 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102799908 LWSRPJLLMVLTNA-DPEHCCBOSA-N 381.388 3.304 30 40 GGEB N#CCCN(C(=O)COC(=O)COc1ccc2c(c1)CCC2)c1ccc(F)cc1 9449605 SDJAVEKKZLVWEM-UHFFFAOYSA-N 396.418 3.183 30 40 GGEB COc1ccc(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c(OC)c1 24507093 HIIYDWDLZMIGEU-UHFFFAOYSA-N 377.362 3.433 30 40 GGEB CCc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2cccc(F)c2)n1 57508285 VYLBVNSLHLAAER-UHFFFAOYSA-N 376.391 3.122 30 40 GGEB COc1ccc2c(c1)N(C(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C)CCCC2 79094141 OWNWUWUFCKUCJO-UHFFFAOYSA-N 379.460 3.174 30 40 GGEB O=[N+]([O-])c1cc(Br)cc(/C=N\NC(=S)Nc2ccccc2)c1O 83329768 ONPPHTFDTXXBTP-PXNMLYILSA-N 395.238 3.383 30 40 GGEB COc1ccccc1/C=C1\Oc2c(CN3CCOCC3)c(O)cc(C)c2C1=O 20573490 VBWWMKZICGPRRM-UNOMPAQXSA-N 381.428 3.158 30 40 GGEB Cc1ccccc1/C=N/n1c(C)nnc1SCn1nc(C)c([N+](=O)[O-])c1C 2733189 UMEOMAFMDOFQER-GIJQJNRQSA-N 385.453 3.248 30 40 GGEB N#CC1(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CCCCC1 60855460 BODIOEAERBUIBI-UHFFFAOYSA-N 389.521 3.208 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N 848861 WLKNWVQEAWYUDX-VQTJNVASSA-N 387.399 3.376 30 40 GGEB C#CCN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2cc(Br)ccc21 2238111 VJVGSDNUUPNFEE-HXUWFJFHSA-N 395.256 3.455 30 40 GGEB N#C[C@@H](c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccccc1 2399366 LXJATJNQASEKPX-SFHVURJKSA-N 378.457 3.269 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O 3470415 PBTGOVGTINVOMJ-UHFFFAOYSA-N 390.490 3.288 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](CC)(c3ccccc3)C2=O)c1C 4305713 OGSOTWZNCMXFGQ-QFIPXVFZSA-N 379.460 3.331 30 40 GGEB COCC1(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)CC1 594109241 SDVKURMZSBZRBP-UHFFFAOYSA-N 375.900 3.361 30 40 GGEB Cc1ccc(CN2CCCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cc1 22935077 QVNKTZWMLZCDTB-UHFFFAOYSA-N 376.504 3.403 30 40 GGEB Cc1nc(S[C@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C#N)c(C)c1C 5172459 ZLCWAJLCMIJFBA-CQSZACIVSA-N 383.473 3.404 30 40 GGEB Cc1ccc(NC(=O)O/N=C(/C(N)=O)P(=O)(OC(C)C)OC(C)C)cc1 5745995 GGPQZVXZEYEYPN-CYVLTUHYSA-N 385.357 3.385 30 40 GGEB Cc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(Cl)cc3O)C(=O)NC2=S)cc1 408758492 KZZPWDIYNXGJPN-QOJWJBQSSA-N 387.848 3.120 30 40 GGEB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)cc1 19929231 DSPYWQOHTPHBAI-UHFFFAOYSA-N 393.428 3.297 30 40 GGEB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)c1nc(C#N)c(C#N)nc12 100205233 ALMKITXPGWQNIY-NHCUHLMSSA-N 393.397 3.466 30 40 GGEB COC(=O)[C@@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 6074124 SZBRSWJWWLVMBI-HALGXTDHSA-N 382.368 3.280 30 40 GGEB biogenic O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 100184066 RZUWRAFWFCFTQI-MDJXRCAMSA-N 391.383 3.386 30 40 GGEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)o2)c([N+](=O)[O-])c1 101021478 BORXGJMPZUXARR-YZHLZIKSSA-N 391.383 3.304 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)cc1 102517235 ULCWNRJKMCGLNC-SELCWUDQSA-N 384.501 3.430 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 22122521 WAUWQWPUORYZEW-BFUOFWGJSA-N 387.509 3.332 30 40 GGEB C#CCOc1cc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)ccc1OC 36360863 AMFYOEYNJOWHIL-CQSZACIVSA-N 399.472 3.124 30 40 GGEB CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC(=O)Nc1ccccc1Cl 3584597 ZANKTXXXUIOKEE-UHFFFAOYSA-N 391.258 3.374 30 40 GGEB COc1ccc(-c2csc(C3=C(N)N(C4CCCC4)CC3=O)n2)cc1OC 13550669 UOLYOUSXLXCRTI-UHFFFAOYSA-N 385.489 3.282 30 40 GGEB N#CC1(NC(=O)[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1 84372820 UMVBSEMYHCJQJM-ZDUSSCGKSA-N 379.382 3.401 30 40 GGEB CN(C[C@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 89340159 FNRONSXLMRCDSA-QGZVFWFLSA-N 388.468 3.296 30 40 GGEB CN(C)/C=C(\C(=O)C(F)(F)F)c1nnnn1-c1ccc(-c2ccccc2)cc1 33938952 GLZKTGVIXKFYIV-FOWTUZBSSA-N 387.365 3.363 30 40 GGEB CCCCCCc1cc(B2OCCO2)c(CCCCCC)cc1B1OCCO1 198084332 ITOITFXJYMWNKM-UHFFFAOYSA-N 386.150 3.416 30 40 GGEB Clc1ccc(/C=N/N=C2\C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 96576529 NZJJFISPSCVBMU-JWMDJXKXSA-N 378.907 3.314 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cccc(OC)c21 100909934 BOHRZJHLPUTHGP-MRCUWXFGSA-N 382.441 3.103 30 40 GGEB CCOc1ccc(/C=N/O[C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 20858217 YAHNVHBACYBHIY-HMHKGCENSA-N 387.392 3.380 30 40 GGEB N#CCCN(C(=O)COC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1 4808561 LODWXQKHWXYUHA-UHFFFAOYSA-N 376.771 3.288 30 40 GGEB CC(C)Cn1c(SCC(=O)Nc2ccccc2C#N)nc2ncccc2c1=O 32893292 YIFWXTDCMIKGIS-UHFFFAOYSA-N 393.472 3.050 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)[C@@H]1c1ccccc1 102744963 IQSMNTKWVGQRTP-NHFXJNLRSA-N 389.455 3.151 30 40 GGEB CC(C)c1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 101316568 JLYIJNVEPBUBOX-XSAFGROZSA-N 394.562 3.458 30 40 GGEB CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nc2ccsc2c1=O 23053648 CYDJQWDGVMGUKF-SNVBAGLBSA-N 390.515 3.211 30 40 GGEB C=CCNC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448396 ULYMGBOWIGXPIB-CYBMUJFWSA-N 390.892 3.396 30 40 GGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccccc2OCC)S1 409092206 TUSLRKYVZBJUHO-QINSGFPZSA-N 389.473 3.433 30 40 GGEB Cc1ccccc1N(CCCC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 222552998 MRMMYWQTLKWZNN-UHFFFAOYSA-N 385.489 3.246 30 40 GGEB CC1(C)OB(c2cnc(N3CCCCC3)nc2OCc2ccccc2)OC1(C)C 170025455 JBLLWMKVHJIABN-UHFFFAOYSA-N 395.312 3.345 30 40 GGEB in-vitro C#CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 4997989 CKRHFHJBAZMKFL-QGOAFFKASA-N 377.396 3.450 30 40 GGEB COc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)ccc1OC(=O)c1ccncc1 3229288 BDSNXVJFAKDZIR-FSJBWODESA-N 388.383 3.230 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 4690456 HZXMWEUDSPGQMQ-GZTJUZNOSA-N 382.391 3.492 30 40 GGEB COc1cccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(C#N)c2)c1 5895480 SLZIFBVEXVZZHY-ZDUSSCGKSA-N 379.445 3.267 30 40 GGEB N#Cc1ccc(N2CC[C@H](OC(=O)c3cc4c(cc3O)CCCC4)C2=O)cc1 84383894 CNBJAQXMWLZYAU-FQEVSTJZSA-N 376.412 3.105 30 40 GGEB C#CCOc1ccc(/C=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)cc1OC 409081854 IDGZUPNRYRBGBQ-RQNDZEIBSA-N 389.498 3.087 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224839531 PRVBJZKTJHASHS-UHFFFAOYSA-N 390.417 3.056 30 40 GGEB C/C(=N\[C@@H]1C(=O)N(c2ccccc2)N(C)[C@H]1C)c1cc2ccccc2oc1=O 4262740 DVJAATZFODMYRL-GCVGFEQUSA-N 375.428 3.253 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(OC)c(OC)cc2Br)C1=O 16194810 FOUFOMWYJLGYCH-NTUHNPAUSA-N 382.235 3.136 30 40 GGEB COc1ccc(/C=C2/S/C(=N/c3ccc(O)cc3)NC2=O)c(OC)c1OC 6247851 BDUSCDSTDUDIMG-XNTDXEJSSA-N 386.429 3.310 30 40 GGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 5961490 CQJLIGRYWYOEHU-ZTPSMGMTSA-N 384.384 3.260 30 40 GGEB biogenic Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n1 17728595 YKGGIQGMRBJHMP-UHFFFAOYSA-N 380.473 3.428 30 40 GGEB O=C(C[C@H]1S/C(=N\C2CCCC2)NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 2646399 AMNBAYWWKQXALU-CYBMUJFWSA-N 396.856 3.107 30 40 GGEB Cn1cc(C(=O)NCCCc2nn(-c3ccccc3)c(N)c2C#N)c2ccccc21 33022274 XQINLCFIWZGNAA-UHFFFAOYSA-N 398.470 3.180 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)o1 100302105 NDWSIEKUAPQMGA-BZNGMPSISA-N 383.407 3.205 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)cc1 20445159 WENQFXRBZFZFHH-RGEMVIMISA-N 380.535 3.033 30 40 GGEB C=CCOc1ccc(Br)cc1/C=C1/C(=O)N(CC)C(=S)N1C 6438610 YZZLXIGKEMTKHO-RAXLEYEMSA-N 381.295 3.434 30 40 GGEB C=CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 6507528 UQFOXULLTSGQGB-UHFFFAOYSA-N 384.929 3.356 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nc2ccccc2c1=O 6514270 OHUFIMUHIPVAHO-UHFFFAOYSA-N 376.441 3.185 30 40 GGEB C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccc(OC)c1 19928257 PVQIZTRTMMVOIP-UHFFFAOYSA-N 383.444 3.388 30 40 GGEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc2c(c1)OCO2 218175964 ZSZPXENVZHHLPU-IRXDYDNUSA-N 386.816 3.042 30 40 GGEB C=CCn1c(C)nnc1S[C@@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 40159093 CPHZVMQGNXYTLQ-MRXNPFEDSA-N 388.468 3.225 30 40 GGEB N#Cc1ccc(N[C@H]2CCCN(C(=O)c3oc(C4CC4)nc3C(F)F)C2)nc1 1123943189 MDZNDGZJELSUPU-ZDUSSCGKSA-N 387.390 3.473 30 40 GGEB C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 16807418 NVAPIMGXYHETKQ-GRIAUZHRSA-N 387.464 3.434 30 40 GGEB Cc1nc(Cc2nnc(SCC(=O)N(CC#N)c3ccccc3)o2)cs1 21326396 VMAIMBNZKMAAMW-UHFFFAOYSA-N 385.474 3.074 30 40 GGEB C=C(Cl)CSc1nnc(CN2CCCCCC2=O)n1-c1cccnc1 32727401 YMEHXXUBEHXPNO-UHFFFAOYSA-N 377.901 3.410 30 40 GGEB N#Cc1ccccc1OCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 6790218 UDRNJFHSASFXDB-UHFFFAOYSA-N 393.424 3.470 30 40 GGEB COc1cccc2[nH]c3c(=O)n(/N=C/C4=CC[C@H]5C[C@@H]4C5(C)C)c(=O)[nH]c3c12 9312863 NYSNJBQMKSVCSG-BVBJAXEXSA-N 378.432 3.006 30 40 GGEB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 12534919 GVOOGVWJHXUHGX-CYBMUJFWSA-N 378.363 3.067 30 40 GGEB C[C@H]1C[C@H]1c1ccc(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)o1 55742304 STIKINJFGCPPFO-QFBILLFUSA-N 378.476 3.341 30 40 GGEB CN(C(=O)COC(=O)c1ccccc1Br)C1(C#N)CCCCC1 5059308 SPANJDFHLQXIFP-UHFFFAOYSA-N 379.254 3.291 30 40 GGEB C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 4738716 ISJOXDQJLLTIPP-LJQANCHMSA-N 393.443 3.356 30 40 GGEB CSc1nc(C)c(CCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)c(C)n1 7437113 VAXSNQBOTHFZIU-CQSZACIVSA-N 398.488 3.190 30 40 GGEB N#Cc1c(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)sc2c1CCCC2 16004811 JLUAVKKEKXEQKB-ZIAGYGMSSA-N 385.489 3.002 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC#N)cc1 409292917 IUHVALRXPOPDNR-UHFFFAOYSA-N 397.232 3.252 30 40 GGEB Cc1ccc(NC(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)cc1[N+](=O)[O-] 13056067 YQVXWMJETLDWMP-UHFFFAOYSA-O 376.392 3.060 30 40 GGEB C=CCOc1ccccc1/C=c1/sc2nc(/C=C/c3ccccc3)nn2c1=O 16779406 VQGFXNZQWNNJLD-RUWPHTKCSA-N 387.464 3.434 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)c1 18088858 AIBSXGZOFCOXHO-FQEVSTJZSA-N 378.472 3.443 30 40 GGEB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)c1 40089593 JUWCXBLNQDROQH-XOKHGSTOSA-N 377.448 3.089 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1cccs1 1378538 RLBUWFMOKZIEEB-HNNXBMFYSA-N 376.507 3.028 30 40 GGEB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccccc1SCC#N)CC2 6589506 VXQWSMWTCLPGAN-UHFFFAOYSA-N 397.500 3.316 30 40 GGEB C=CCn1nnnc1NCc1cc(Br)c(OCC)c(OCC)c1 7601928 JQWUTXNVULKYJN-UHFFFAOYSA-N 382.262 3.031 30 40 GGEB N#Cc1ccccc1N1CCCN(CC(=O)Nc2cccc3ncccc23)CC1 52801285 DKDQCLUSUHEJBI-UHFFFAOYSA-N 385.471 3.257 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc(Br)cc1 2916588 GQTXBLXGRLXBIR-AWEZNQCLSA-N 375.226 3.059 30 40 GGEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccc(C(C)=O)cc3)C(=O)NC2=S)cc1 4738582 BUQMNZWEXWZAEA-YPKZHZFPSA-N 393.468 3.218 30 40 GGEB Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 409408105 IPSJBYFZEOJVHO-INIZCTEOSA-N 385.489 3.163 30 40 GGEB Cc1nnc(N/N=C/c2ccccc2OCc2c(F)cccc2Cl)[nH]c1=O 7994948 GPTSWZCNCBUBJE-ZVBGSRNCSA-N 387.802 3.291 30 40 GGEB CC(C)Cn1nnnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 95953378 JEXUTLAGDHKJHI-ZDUSSCGKSA-N 390.538 3.454 30 40 GGEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 553239627 FZYIJGLNEZBKNW-GSEOLPGOSA-N 385.508 3.410 30 40 GGEB C=CCOc1ccc(N(CC=C)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224845632 QJEKMLXWVABSQJ-UHFFFAOYSA-N 387.457 3.404 30 40 GGEB COC(=O)c1ccc(SCC/C(CN2C(=O)c3ccccc3C2=O)=N\O)cc1 17122770 MRWUVRKFROOQHI-KGENOOAVSA-N 398.440 3.082 30 40 GGEB CN1C(=O)[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])S/C1=N\c1ccccc1 4474757 FPYSQNSKRMYBBG-RAJOGRCSSA-N 384.417 3.185 30 40 GGEB Cc1c(C(=O)N(C)C)sc(NC(=O)COc2ccccc2Cl)c1C#N 2759534 WQKWMJWEBIKAGH-UHFFFAOYSA-N 377.853 3.301 30 40 GGEB Cc1ccc(S(=O)(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)c(Cl)c1 32932899 YYALIAUTTBCGLH-UHFFFAOYSA-N 391.924 3.273 30 40 GGEB C=CCN(Cc1cccs1)C(=O)CNC(=O)c1ccc(Br)o1 21930326 UTYGMSIAUIJJSM-UHFFFAOYSA-N 383.267 3.048 30 40 GGEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 625809 MWBHGKYASIJVAS-QAPCUYQASA-N 383.400 3.046 30 40 GGEB N#Cc1ncn(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)n1 13007889 DNRDDTHVCXVEJY-UHFFFAOYSA-N 398.220 3.343 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N\N=C\c2cccc(OC)c2OC)cc1 13786221 UNZWXBYGPSZAHE-GRWXYWTESA-N 399.472 3.178 30 40 GGEB C=CCNC(=O)NC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 5990223 ZAEKRHIDZVSZEJ-SFHVURJKSA-N 384.457 3.075 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1/C=N\[C@@H]1C[C@H]2CC[C@H]1C2 408536555 SALCYSNNIBMGAP-BVYAKOJESA-N 393.365 3.164 30 40 GGEB N#Cc1cccc(N2CCOC[C@]3(CCCN(C(=O)c4ccsc4)C3)C2)c1 96229004 UAOGGDSTMDHNCD-OAQYLSRUSA-N 381.501 3.379 30 40 GGEB CCOC(=O)/C(=N/Nc1ccccc1C)Sc1nnnn1-c1ccc(C)cc1 1781765 PGYWZSUFGBADDP-FXBPSFAMSA-N 396.476 3.360 30 40 GGEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(Cl)cc1 8767137 JATWJDVZDIBCQO-CYBMUJFWSA-N 376.803 3.171 30 40 GGEB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)N3CCN(CC#N)CC3)cc12 58291535 RSUKFVZEYHSWSE-UHFFFAOYSA-N 399.907 3.330 30 40 GGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(O)c(O)c1)n1ncnc1N2 18197606 ODYPFVJSPDUUCM-VOJFVSQTSA-N 380.429 3.167 30 40 GGEB N#Cc1ccccc1NC(=O)COc1ncnc2ccc(Br)cc12 6790287 MWEPPDDKRUHDNW-UHFFFAOYSA-N 383.205 3.281 30 40 GGEB C=CCNC(=O)NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6848014 AVEDZZVRFRVKEN-UHFFFAOYSA-N 384.486 3.462 30 40 GGEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc2ccccc12 408537551 WFCQCUADIIHXDO-VGDUNAEUSA-N 375.428 3.425 30 40 GGEB COc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccccc2)NC1=O 409220708 DQYYSZSVLCYFDE-UYRXBGFRSA-N 395.484 3.423 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C/c1cccc(C)c1)C2=O 33370498 XIKSXCBBLSUCMM-KGENOOAVSA-N 397.471 3.412 30 40 GGEB COc1cccc(/C=N\Nc2ccc(C(F)(F)F)cn2)c1O[C@H](C)C(=O)O 409237304 JJURCDDHFNFLKA-WAYGTWCKSA-N 383.326 3.407 30 40 GGEB CCOC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242548483 LNERLULUPMWVLJ-NJDAHSKKSA-N 385.485 3.490 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccccn1 20227580 HRJHIOKGUGUJCP-FQEVSTJZSA-N 393.487 3.310 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1Br 7516907 HDDRLXRIPMYFPJ-CQSZACIVSA-N 392.249 3.303 30 40 GGEB N#Cc1cc(NCC(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1Cl 12789977 HQKVJQBWDORNOX-UHFFFAOYSA-N 387.230 3.496 30 40 GGEB N#Cc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1 3459391 SRGGQNIXAWPYCB-UHFFFAOYSA-N 399.406 3.469 30 40 GGEB COc1cccc(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)C[C@@H]2C)c1 89939396 BCLYIGOAKOEHMA-HNNXBMFYSA-N 398.894 3.369 30 40 GGEB C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OC 409406474 KBMHVPQIPKJZED-AQTBWJFISA-N 378.428 3.284 30 40 GGEB CC1(C(=O)NCC[C@H]2CCOC2)CCN(c2ccc(Cl)cc2C#N)CC1 553125556 PWTHMSHUTKKICZ-HNNXBMFYSA-N 375.900 3.361 30 40 GGEB Cc1ccc(/C=C/C(=N/c2nnc(S(N)(=O)=O)s2)c2ccccc2)cc1 5543087 SIXWNEDRJTYNQU-TXXYZZINSA-N 384.486 3.328 30 40 GGEB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)[C@@H](C#N)c1nc(C)cs1 7987265 XUTWTIAHOLIKRQ-GFCCVEGCSA-N 391.474 3.122 30 40 GGEB CCCCCCCCc1ccc(OCCOC(=O)/C=C\C(=O)NC(N)=O)cc1 104334983 TUGYRFMEEKFEII-YPKPFQOOSA-N 390.480 3.263 30 40 GGEB CCNC(=S)N/N=C/c1cc(Br)c(OC)c(Br)c1 107862714 CTZQNCKHEILXJJ-GIDUJCDVSA-N 395.120 3.038 30 40 GGEB N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)NC[C@H]1CCCO1 3275508 QRFKZMASOGNAGW-MRXNPFEDSA-N 396.468 3.161 30 40 GGEB COc1ccc([C@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 36391728 UMXZHSKIJGXQOE-LAUBAEHRSA-N 382.460 3.152 30 40 GGEB O=S(=O)(/N=C(O)/C=C/c1c(F)cccc1F)c1ccc2c(c1)OCCCO2 48536108 BGJBXRRZMRDIRA-SOFGYWHQSA-N 395.383 3.485 30 40 GGEB O=C(O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1Br 408910944 MDCNKWNPIRNVPZ-IUXPMGMMSA-N 394.181 3.267 30 40 GGEB COc1ccc(N/N=C/CCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1 4551517 LALJDZZLPKJNOH-KEBDBYFISA-N 382.376 3.078 30 40 GGEB COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 4889193 DTBUPBBUEMGDBU-CVEARBPZSA-N 382.464 3.051 30 40 GGEB C=CCOc1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1 409016734 HOMRHZPDQRXMCU-CPNJWEJPSA-N 391.427 3.091 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 8754550 LZZXYLLBYMBZFP-IBGZPJMESA-N 378.413 3.242 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 19153181 ZRWJLIGGEFZZOE-FUHWJXTLSA-N 398.846 3.492 30 40 GGEB COc1ccc(C(=O)Oc2ccc(/C=N\N3C(=O)CSC3=S)cc2)cc1 409338364 IPWPACIGJCPRFO-GRSHGNNSSA-N 386.454 3.109 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1)S(C)(=O)=O 260767955 RAYKTEFHVVXMPZ-OAHLLOKOSA-N 388.489 3.138 30 40 GGEB CCCCCCCn1c(-c2ccccc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12 97993314 XCKJINFLIOZPDX-UHFFFAOYSA-N 393.491 3.324 30 40 GGEB C=CCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc12 5017768 AVUGNUFZRUDMJE-UHFFFAOYSA-N 376.338 3.340 30 40 GGEB O=C(/C=C/c1ccc(F)cc1)c1cccc(I)c(=O)c1O 19909839 WOMPPHVVEIGWGE-RMKNXTFCSA-N 396.155 3.392 30 40 GGEB CC1(C)[C@@]2(C(=O)Nc3ccccc3F)CC[C@@]1(C)c1nc(C#N)c(C#N)nc12 100198423 SNRYUDSNEJQOQQ-SFTDATJTSA-N 375.407 3.327 30 40 GGEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5205048 NCJMZROTOYPMFB-LGCYAQKOSA-N 394.562 3.458 30 40 GGEB COc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccc(OC)c(OC)c2)cc1 100359169 OEVRPTQZGRIXMC-KYPJYIKXSA-N 399.472 3.178 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccc(F)cc1 102930706 UAQHDNPYQJILLG-HVESIFNPSA-N 393.349 3.381 30 40 GGEB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccc4c(c3)OCO4)S2)c1 57497261 XXMJJBHTEZINPN-WXVFVKJXSA-N 397.456 3.314 30 40 GGEB COCCn1c(SCC(=O)Nc2oc(C)c(C)c2C#N)nc2ccccc21 8744852 YTFDKKYAQYRCAA-UHFFFAOYSA-N 384.461 3.495 30 40 GGEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)=O)c(C#N)c3)CCOCC2)cc1 225781680 CLGPXBQDCAVGHX-UHFFFAOYSA-N 394.427 3.179 30 40 GGEB CCOC(=O)c1sc(/N=C\Nc2nc(C)c(C(=O)OCC)s2)nc1C 3260258 SXGHECLQCAYASV-UHFFFAOYSA-N 382.467 3.342 30 40 GGEB COc1ccc(Cn2nc(C)c3cc(B4OC(C)(C)C(C)(C)O4)cnc32)cc1 202310195 WBEXSEUTHFNHCU-UHFFFAOYSA-N 379.269 3.096 30 40 GGEB COc1cccc(N2CCN(C3CCN(Cc4ccc(C#N)s4)CC3)CC2)c1 244983807 IRUHGKVVKZGFES-UHFFFAOYSA-N 396.560 3.415 30 40 GGEB COc1ccccc1C1(C(=O)NCC2CCN(c3ncccc3C#N)CC2)CC1 70929450 FSJBQQLYGDVOKA-UHFFFAOYSA-N 390.487 3.026 30 40 GGEB COC(=O)c1ccc(/N=C2/S[C@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 100279944 STANNINUXFZXMK-JDAKFOBDSA-N 397.456 3.063 30 40 GGEB C=CCN1C(=O)[C@@H](c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1 100973092 GYJWVYAATDESFZ-UVTIVQHFSA-N 378.500 3.296 30 40 GGEB CCn1cc([C@H]2C(C(=O)c3cccs3)=C(C(F)(F)F)Nc3ncnn32)cn1 2806496 OKLYPTDYLNIFRT-LBPRGKRZSA-N 394.382 3.270 30 40 GGEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4cccc(C(F)(F)F)c4)c3nc12 16741999 NQTCSHWCYVYLPL-UHFFFAOYSA-N 396.328 3.198 30 40 GGEB N#Cc1cc(C#N)c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc1N 18191096 CZBQSDNGYWTYHD-UHFFFAOYSA-N 378.244 3.445 30 40 GGEB C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)COC(C)(C)C4 4825680 FFEVAILLTCGMOY-UHFFFAOYSA-N 376.507 3.162 30 40 GGEB C[C@@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1 5881198 SFSTVFJHDYZERZ-CYBMUJFWSA-N 376.441 3.428 30 40 GGEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(C)s3)C[C@H]2c2nccs2)C1=O 306123828 AXZXYEPRTIVCHQ-IFXJQAMLSA-N 387.530 3.157 30 40 GGEB N#Cc1ccc(CNC(=O)N2CCC(c3ccccc3C(=O)O)CC2)cc1F 591269788 IAVBSMLLTRXXBD-UHFFFAOYSA-N 381.407 3.485 30 40 GGEB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119726 SXWJJBPNRBZPQW-WAFBPQNNSA-N 376.762 3.397 30 40 GGEB O=C1/C(=C/NC2CC2)S(=O)(=O)N(Cc2cccc(F)c2)c2ccsc21 20575918 AOCLAQCRVGSOGD-DHDCSXOGSA-N 378.450 3.013 30 40 GGEB N#CCN(C(=O)COc1ccccc1I)c1ccccc1 31656808 SUWDBKZRONWMRH-UHFFFAOYSA-N 392.196 3.227 30 40 GGEB COc1cc(/C=C/C(=O)[C@H](C#N)c2nc3ccccc3n2C)cc(OC)c1OC 12603795 DNNQFEITGRSGEE-FEAKQIBJSA-N 391.427 3.489 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1[N+](=O)[O-] 1817981 CTOJKYJWTQDTCO-OAHLLOKOSA-N 386.404 3.085 30 40 GGEB C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1ccco1 13567149 JRIQGRPXFMIIPB-UHFFFAOYSA-N 380.473 3.401 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccc(O)c2)cc1 17991790 ILQDIOHUGTWKJN-IBGZPJMESA-N 397.427 3.016 30 40 GGEB C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)c1 4541126 NZSPAADARWERIF-SFHVURJKSA-N 383.400 3.069 30 40 GGEB C=CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C)cc2)C1=O 7427201 UNMOTJJKBPWXMI-NRFANRHFSA-N 397.500 3.038 30 40 GGEB CCCN(Cc1ccccc1O)C(=O)c1ccc(-n2ncc(C#N)c2N)cc1 84755246 SEUDAWMLGHWVAA-UHFFFAOYSA-N 375.432 3.084 30 40 GGEB CCOc1cc(CNC(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OC(F)F 95453889 DFSKAYMNUVJXHA-GFCCVEGCSA-N 381.404 3.375 30 40 GGEB Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 501159110 HCAWQIDTSVFCGK-IBGZPJMESA-N 393.422 3.042 30 40 GGEB CCCCCCCNC(=O)C(=O)Nc1ccccc1C(=O)NCc1ccco1 408709595 UTCCVFNAIDTZEI-UHFFFAOYSA-N 385.464 3.235 30 40 GGEB CCn1cc(C(=O)O)c(=O)c2cc(F)c(N/N=C\c3ccccc3[N+](=O)[O-])cc21 33409579 GAIDPETYEYWZET-NKVSQWTQSA-N 398.350 3.213 30 40 GGEB C=CCNC(=O)c1cc(NS(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224068657 HKHREJUIWHTFMI-UHFFFAOYSA-N 380.853 3.065 30 40 GGEB C=C(C)Cn1nc(C)c(-c2cc(C(=O)NCCN(C)C3CCCCC3)[nH]n2)c1C 19578006 CAKWBULIXNGWTH-UHFFFAOYSA-N 398.555 3.460 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc2c1=O 3168636 HCJNQDRURYNZRP-UHFFFAOYSA-N 395.440 3.042 30 40 GGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccco2)c2cc(Br)ccc21 2493111 KWGRTYBNLJVQDY-QGZVFWFLSA-N 376.206 3.035 30 40 GGEB CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 12806644 QPODHNBUHLIOQN-UHFFFAOYSA-N 389.502 3.131 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(OC)cc1 5208506 RZXXUONSWIYSQC-UHFFFAOYSA-N 385.449 3.167 30 40 GGEB C=CCN1C(=O)N[C@H](c2cc(Br)ccc2OC)C(C(=O)OC)=C1C 14236516 JKXXMIGNJCVBSW-OAHLLOKOSA-N 395.253 3.157 30 40 GGEB CN(C(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C1CCCCC1 8015945 OIUPMJPDGZFQIV-UHFFFAOYSA-N 382.489 3.192 30 40 GGEB CS[C+](c1ccc(N2CCOCC2)s1)c1cnc(N2CCOCC2)s1 16248654 DNMFRSAMDMUXRU-UHFFFAOYSA-N 396.583 3.169 30 40 GGEB CN(C)c1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N 12421332 WMLXZQIYFFBUJF-UHFFFAOYSA-N 396.472 3.100 30 40 GGEB C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 13787660 CJLGMFXIPYNQRY-VBKFSLOCSA-N 397.481 3.193 30 40 GGEB C=CCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1 6745538 FQLOAIUYOHXUAB-UHFFFAOYSA-N 379.424 3.137 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)c2ccccc2)nc1C 7149927 LMXFSDWVXWHNGD-ZDUSSCGKSA-N 383.473 3.408 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccc1F 8996988 LIHZSSSFGSXLAN-GROYHEBESA-N 388.464 3.261 30 40 GGEB N#Cc1ccccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8156797 DUJNVDAHEJMALF-GOSISDBHSA-N 378.428 3.462 30 40 GGEB COc1ccccc1-c1n[nH]c(=S)n1/N=C/c1cc(OC)c(O)c(OC)c1 2419645 CWXJNATVOOSHHJ-VXLYETTFSA-N 386.433 3.221 30 40 GGEB C[C@H](C(=O)Nc1cccc(C#N)c1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 8221144 AXXJDCGUZRVPFM-LLVKDONJSA-N 386.337 3.430 30 40 GGEB CCOc1cc([C@H]2NC(=O)N(N)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408730596 IISPOSRGTPKBHF-OAQYLSRUSA-N 395.459 3.467 30 40 GGEB COc1ccccc1NC(=O)[C@H]1CC(=O)N(C)/C(=N/c2cccc(F)c2)S1 13423912 QEGAJNTWIKWJBB-BSBNDGSWSA-N 387.436 3.424 30 40 GGEB C=CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc2c(c1)OCCO2 13687716 YUNMOUZCHJANDM-UHFFFAOYSA-N 388.401 3.137 30 40 GGEB CCc1nnc(S)n1/N=C/c1ccc(OC(=O)c2ccccc2)c(OC)c1 5236590 IOMTVXLYOMKZRX-UDWIEESQSA-N 382.445 3.239 30 40 GGEB Cc1ccc(C2=CCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)CC2)cc1 14226666 GUIHUGSWXIGYDA-UHFFFAOYSA-N 375.472 3.420 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 408617810 JVQZMYDUQWDZDV-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218366969 DGFJPNMCYIRXDB-HBFSDRIKSA-N 387.432 3.147 30 40 GGEB Cc1nc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cccc(C#N)c2)C3)cs1 575404924 WAIRENXWJAUXBJ-KRWDZBQOSA-N 385.514 3.240 30 40 GGEB CC(C)N/C(O)=N/S(=O)(=O)c1cnccc1Sc1cccc(Cl)c1 987815 ROSLIHIEXCQRSU-UHFFFAOYSA-N 385.898 3.487 30 40 GGEB COC(=O)c1ccc([C@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 4451167 ROHAINIZEJOEFL-BHIFYINESA-N 397.434 3.464 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 2648588 PEJORVSKWLWNFB-FQEVSTJZSA-N 383.521 3.350 30 40 GGEB COC(=O)c1ccc(COC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 3352026 YSPHARXWBHWICY-UXBLZVDNSA-N 381.384 3.141 30 40 GGEB C[C@H](Sc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccccc1 5880832 SFSTVFJHDYZERZ-ZDUSSCGKSA-N 376.441 3.428 30 40 GGEB CCCn1c(CNc2cccc(C#N)c2)nc2cc(S(=O)(=O)N(C)C)ccc21 7322382 PHJYDFKLYHCIHH-UHFFFAOYSA-N 397.504 3.180 30 40 GGEB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 553239629 FZYIJGLNEZBKNW-VBSBHUPXSA-N 385.508 3.410 30 40 GGEB N#C[C@@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218434489 RHKZGZVVHFEOJX-IXDOHACOSA-N 382.268 3.435 30 40 GGEB COC(=O)/C=C1/OC(c2ccc(Br)cc2)=C(Br)C1=O 1647051 LCTJQDQRNLRXMB-RMKNXTFCSA-N 388.011 3.169 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1cccc(O)c1)c1cccs1 6813534 ROFOTIQTFMZJAF-PBHICJAKSA-N 385.441 3.211 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 40018126 JOFNKWCFMGMSKF-YJYMSZOUSA-N 384.509 3.210 30 40 GGEB N#Cc1ccc(CCC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 32376117 ZZOUNJSUCCIZEK-NRFANRHFSA-N 397.906 3.334 30 40 GGEB C=C(Cl)COC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4894736 LEWPSHYXLMDCIT-SHUKQUCYSA-N 376.796 3.267 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1 10240349 RHIVIBACIDURIZ-CYBMUJFWSA-N 392.912 3.124 30 40 GGEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 101316707 VQMBELZOPUSLIR-SVQNHAPJSA-N 380.535 3.067 30 40 GGEB CC[C@H](O/N=C(\C)c1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1cc(C)on1 24829811 TYSDMAGFIJPUQT-WQGFDPGOSA-N 384.436 3.489 30 40 GGEB O=S(=O)(Cc1ccccc1F)c1nnc(/N=C(\O)c2cccs2)s1 27664701 OARPDYCTOPKPND-UHFFFAOYSA-N 383.451 3.349 30 40 GGEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1cccc(Cl)c1 67870649 IFLQIRUJFUWFLV-TXPKVOOTSA-N 393.000 3.455 30 40 GGEB biogenic,in-vitro C=CCNC(=O)c1ccccc1NC(=O)CSc1ccc(OC)c(OC)c1 216448445 NOBYOYUYTOWDFO-UHFFFAOYSA-N 386.473 3.350 30 40 GGEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2)ccc1OC(F)F 42248895 SXYAJDXLGYMAJA-UHFFFAOYSA-N 375.324 3.129 30 40 GGEB C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CCCN(c2ccccc2C#N)CC1 48374355 HZMQCPRDLBWATI-INIZCTEOSA-N 393.447 3.006 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2C)C3=O)CC1 20503807 XRHPXKKNKPEQEE-STZFKDTASA-N 378.472 3.454 30 40 GGEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc(OC)c1OC 20085962 CZVXHFGIUBQERJ-HNNXBMFYSA-N 399.447 3.342 30 40 GGEB N#Cc1nc(-c2ccccc2F)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32123769 AREMDNPFVRYBFJ-KGLIPLIRSA-N 376.391 3.138 30 40 GGEB biogenic Cc1ccc(CN(C(=O)Cn2nc(C(C)(C)C)c(CCC#N)c2O)C2CC2)o1 101341380 YZRGWLAGOQKDGE-UHFFFAOYSA-N 384.480 3.435 30 40 GGEB CCOc1ccc(C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 12418519 IOWXARQFPAIIPI-UHFFFAOYSA-N 392.415 3.167 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1 2264200 VZVNNAJTLTUBPT-UHFFFAOYSA-N 380.477 3.269 30 40 GGEB C/C(=N/N=C1/NC(=O)[C@@H](Cc2ccccc2[N+](=O)[O-])S1)c1ccc(F)cc1 8656316 LNKAFQIZKGNOJN-NBZOHKLQSA-N 386.408 3.288 30 40 GGEB O=C(O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H]5C=C[C@H](CC5)[C@H]4C3=O)o2)c1 222287272 YWXAEKYBZLFIKF-FNHZDMKPSA-N 390.395 3.176 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)c1 220309809 WJBSMUMSIMJZPT-AWEZNQCLSA-N 392.452 3.184 30 40 GGEB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 13141457 CJZFQRJNRXGTGD-IYBDPMFKSA-N 397.500 3.477 30 40 GGEB N#Cc1cccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)c1 7398018 PFFGMGHSAZHPNU-UYRXBGFRSA-N 382.383 3.442 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19592846 YFPIHSMUWNSQPB-JOCHJYFZSA-N 392.499 3.016 30 40 GGEB C/C(=N/CCO)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 100104472 YTFXOQZTBUFMHP-BKUYFWCQSA-N 378.457 3.244 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2F)cc1 104036159 KVYBUEDMKJTVLQ-WOOAAIBNSA-N 382.435 3.117 30 40 GGEB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(C#N)cc3)c2)CC1 6680707 ABBSGYSBPYZUIW-UHFFFAOYSA-N 389.502 3.293 30 40 GGEB C[C@H](C#N)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 4325752 DGMADDVBAVHRPV-CYBMUJFWSA-N 389.440 3.499 30 40 GGEB COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O 4987417 AVKZXMJBVOUXAF-GDBMZVCRSA-N 393.439 3.414 30 40 GGEB C=CCN(Cc1cccs1)C(=O)CN1C(=O)N[C@](C)(c2ccc(C)cc2)C1=O 7427200 UNMOTJJKBPWXMI-OAQYLSRUSA-N 397.500 3.038 30 40 GGEB Cc1ccc(-n2nc(C)c(/C=N/NC(=S)NC[C@@H]3CCCO3)c2Cl)cc1 7779590 JKTZFZHPFUOMKJ-FPQGOQEYSA-N 391.928 3.120 30 40 GGEB COc1ccc(C)cc1C1(CNC(=O)N[C@@H]2CCCC[C@@H]2C#N)CCOCC1 596195043 DKDPFPKELLVCJY-IEBWSBKVSA-N 385.508 3.433 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C#N)cc3)c2C#N)C1 6175688 IKHQFMWEYHVVQJ-GFCCVEGCSA-N 379.441 3.412 30 40 GGEB Cc1cc(I)cnc1NC(=O)c1ccc(C#N)cc1F 6572487 KVNUDSIDLIVELL-UHFFFAOYSA-N 381.148 3.258 30 40 GGEB CCC(=O)c1ccc(OCC(=O)O[C@H](C)C(=O)Nc2ccccc2C#N)cc1 8191335 PSGUOKZMYRREGZ-CQSZACIVSA-N 380.400 3.100 30 40 GGEB C#CCN1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21 2327937 LSRZBURGGRYOFM-IBGZPJMESA-N 381.229 3.146 30 40 GGEB N#C[C@H](C(=O)CCS(=O)(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 6134873 UQUQAOFEBNUBHH-GFCCVEGCSA-N 387.848 3.257 30 40 GGEB CCCN1C(=O)[C@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 4553467 KIGMIRCCXDKHDH-GLJAUCNMSA-N 379.412 3.032 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(O)cc2)cc1 19138143 VVCQSEUUWSLXTE-AZUAARDMSA-N 393.439 3.458 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 408610440 QUIRDSJCJXJIQA-MRXNPFEDSA-N 388.489 3.353 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218339277 JBZKBZOGHKYRIT-JENIJYKNSA-N 389.860 3.353 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@@]4(C)C3=CC[C@@]21C 254018992 SGOCZEFVBBHDQY-PIISQZRGSA-N 398.499 3.324 30 40 GGEB N#Cc1ccccc1COc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 254310650 SKBDWWBFYVTNIZ-KLDKWKSESA-N 397.434 3.278 30 40 GGEB CC(=O)c1ccc(NC(=O)Nc2nn(-c3ccccc3)c(=O)c(C#N)c2C)cc1 5535940 JWXNGEKFZGEZAI-UHFFFAOYSA-N 387.399 3.259 30 40 GGEB C#CCn1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OCC)C2=O)c2ccccc21 6350365 ABBLQAZPRJSTDT-VVBXCHJUSA-N 382.441 3.262 30 40 GGEB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncc(Br)cc2C#N)C1 2087131105 GPHPENQNQYKQGG-AWEZNQCLSA-N 379.302 3.189 30 40 GGEB N#Cc1ccc(C(=O)N(CCN2CCOCC2)c2nc3ccccc3s2)cc1 22998145 WZKJMVJDXZNJTD-UHFFFAOYSA-N 392.484 3.147 30 40 GGEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 101662455 RBQYWZCRRFYWCB-HXUWFJFHSA-N 375.469 3.305 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 2623020 HVCMKLWCIDWTLG-UHFFFAOYSA-N 394.456 3.057 30 40 GGEB CC(C)CN(CC(F)(F)F)C(=O)CN1CCCN(c2ccccc2C#N)CC1 52801577 AXKHGGRURIAORT-UHFFFAOYSA-N 396.457 3.117 30 40 GGEB CCN(C[C@H](C)C#N)C(=O)CN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 53075984 WVLNYAUTMUPRPO-MRXNPFEDSA-N 380.492 3.274 30 40 GGEB COc1cccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)c1 100418330 FQPKTZWQTAJCCH-CRAIPNDOSA-N 390.439 3.171 30 40 GGEB N#Cc1ccccc1CSCCNC(=O)CC[C@H]1Cc2ccccc2NC1=O 25154093 CMYJTVVZMJGBDA-KRWDZBQOSA-N 393.512 3.499 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)c1 8467794 FFETUQHMZYAMJO-FQEVSTJZSA-N 393.487 3.228 30 40 GGEB CCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCC(=O)N(C)C 13636409 FAICLUYBESLDNJ-WJDWOHSUSA-N 381.428 3.211 30 40 GGEB C=CCn1c(=O)n2nc(-c3cccnc3)nc2c2c3c(sc21)COC(C)(C)C3 13726193 UBPDOBGZWGFTFU-UHFFFAOYSA-N 393.472 3.205 30 40 GGEB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)n1 65484323 YNYFOAKDCYAYSE-UHFFFAOYSA-N 385.445 3.191 30 40 GGEB CCOC(=O)N1CCN(c2nc(SC)nc(-c3ccccc3)c2C#N)CC1 19820788 XKMHBLSGAWULKB-UHFFFAOYSA-N 383.477 3.016 30 40 GGEB C#CCn1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OCC)C2=O)c2ccccc21 33405556 ABBLQAZPRJSTDT-HNEYUBDGSA-N 382.441 3.262 30 40 GGEB C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(OC)cc3OC)no2)cc1 219644171 AYCIMOOEPHULPB-UHFFFAOYSA-N 395.415 3.249 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2sccc2C)c([N+](=O)[O-])c1 5163370 HOUMLOASCJRXHZ-GZTJUZNOSA-N 396.494 3.441 30 40 GGEB C=CCn1c(C)c(C)c(S(=O)(=O)c2ccc(OC)cc2)c1NC(=O)CC 12390988 CDYMPKJYQFHGEX-UHFFFAOYSA-N 376.478 3.481 30 40 GGEB COC(=O)c1ccc(COc2ccc(/C=N/NC(=S)NC(C)C)cc2)cc1 3272806 DIMWBRUCSBTVPP-CIAFOILYSA-N 385.489 3.259 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1 17146970 UMGVEYMGFNOBID-IBGZPJMESA-N 381.428 3.228 30 40 GGEB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2)n1 65484406 LCCMCMUBZRIWRS-UHFFFAOYSA-N 389.408 3.022 30 40 GGEB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@](C)(C#N)C(C)C)n1 5998997 PHANHAJKRMUDDD-QGZVFWFLSA-N 393.900 3.280 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(=O)N(c2ccccc2)C1=S 408729739 JCGYMWKQESZUTM-FOWTUZBSSA-N 394.452 3.131 30 40 GGEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 79102746 AJLZRJFRLNUGQW-QZTJIDSGSA-N 398.459 3.434 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)c1 408619911 OJWJWINXPYQNLZ-INIZCTEOSA-N 388.489 3.353 30 40 GGEB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC#N)cc3)C2=O)cc1Cl 408981324 ASNDRGKXNKSBMT-YBEGLDIGSA-N 395.802 3.217 30 40 GGEB COc1ccc(/C=C2/CS(=O)(=O)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 31719234 NXXRLIAVYCJUJL-WHYMJUELSA-N 384.453 3.168 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)cc1 223842736 FZHZGNOPFPKCIA-UHFFFAOYSA-N 381.837 3.492 30 40 GGEB N#Cc1cc(C(=O)Nc2cccc(CN3CCCC3=O)c2)cnc1C(F)(F)F 590153023 KEQLNGIVRLMOPN-UHFFFAOYSA-N 388.349 3.347 30 40 GGEB Cc1ccccc1/N=C1\SCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 12864764 BSTZCPZBKYLTHV-IMIXSNCBSA-N 375.519 3.012 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205890 CHXDJKBOMLWTBC-LHSJRXKWSA-N 388.427 3.408 30 40 GGEB Cc1oc(-c2nc(C#N)c(N(C)C)o2)cc1S(=O)(=O)N(C)c1ccccc1 40268453 SHCOZHZVBYGVAG-UHFFFAOYSA-N 386.433 3.006 30 40 GGEB CNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(OC)cc2)S1 18021500 MEFKTAGEDNYOMD-GLEDVZQVSA-N 397.500 3.006 30 40 GGEB O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)cc1 6471763 RKIOMTQJRYQZRW-IZZDOVSWSA-N 386.429 3.275 30 40 GGEB Cc1cc(C)nc(-n2ncc(C#N)c2NC(=O)c2ccc(Br)cc2)n1 6760601 IGZBNUKPXJEMQY-UHFFFAOYSA-N 397.236 3.166 30 40 GGEB Cc1ccc(/N=C/c2c(F)cccc2F)cc1S(=O)(=O)N1CCOCC1 4979723 ZZIFBLXVFKTDSX-CIAFOILYSA-N 380.416 3.045 30 40 GGEB CCOCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(O)cc1 66091526 RNEOWSBPZOVWEC-QGZVFWFLSA-N 387.457 3.459 30 40 GGEB CCOC(=O)c1sc(NC(=O)CN2CCCc3ccccc32)c(C#N)c1C 408547890 OHLLUSSLDKCKRT-UHFFFAOYSA-N 383.473 3.496 30 40 GGEB C=CCN(c1cccc(OCC)c1)S(=O)(=O)c1ccc2c(c1)OCCO2 224842943 UBUNCAMUIUOXLQ-UHFFFAOYSA-N 375.446 3.238 30 40 GGEB O=C(NCC#CCOc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F 90730766 ORRKCQWOGYQWQO-UHFFFAOYSA-N 377.318 3.246 30 40 GGEB C[C@@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 30004779 VBHNDCRUABEKPI-HNNXBMFYSA-N 389.908 3.279 30 40 GGEB COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)[nH]c(=O)c2C#N)cc1 31610565 TYIDHDHFAPXESN-UHFFFAOYSA-N 392.440 3.048 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(Cl)cc1 102701888 RLYZDDHIFRMZPB-IDTYTIONSA-N 377.849 3.470 30 40 GGEB Cc1cc(I)ccc1NC(=O)COc1ccccc1C#N 4847013 XRBDOPWVFWMJIM-UHFFFAOYSA-N 392.196 3.489 30 40 GGEB C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)cc(C)[nH]c2=O)cc1OC 72402810 SAXGFEREXYOOPD-OAHLLOKOSA-N 387.432 3.047 30 40 GGEB Cc1cc(C#N)ccc1S(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Br 95457181 GDIIAKNYILYAOG-UHFFFAOYSA-N 396.222 3.338 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 32507092 GVKCSCILRPRGBU-SMXHQDLGSA-N 380.535 3.095 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)cc1 223832959 BOOUABGQYDBCKM-UHFFFAOYSA-N 381.837 3.492 30 40 GGEB C/C(=N\CCO)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O 96316595 YTFXOQZTBUFMHP-FYJGNVAPSA-N 378.457 3.244 30 40 GGEB C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 32564186 BVGZFCKFSNFNMP-YBEGLDIGSA-N 398.238 3.060 30 40 GGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)C(=O)O1 102500204 NSDQUQDQEXPWSO-NDDJGDGRSA-N 398.846 3.430 30 40 GGEB CC(=O)Nc1cccc([C@@H](C)N(CC(=O)NCCC#N)Cc2ccccc2)c1 32909362 HOXMXKRNBAJDPC-QGZVFWFLSA-N 378.476 3.238 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccc(OC)c1 102805000 FDOWQEIOTAHRPK-LFVOPCPISA-N 381.428 3.153 30 40 GGEB COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1(C#N)CCCC1 58245297 ZJXMQAURVRKQGH-UHFFFAOYSA-N 376.356 3.011 30 40 GGEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1ccccc1Cl 35982186 NBCAHHFDDDEPOI-UHFFFAOYSA-N 377.853 3.063 30 40 GGEB C=C(C)CN1C(=O)/C(=C/Nc2ccc(Cl)cc2Cl)C(=O)N(C)C1=S 5457036 RKUQUEZOSWFZIO-YRNVUSSQSA-N 384.288 3.451 30 40 GGEB COC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 7623233 DVDIFOQCWDWQSP-LLVKDONJSA-N 388.807 3.413 30 40 GGEB CN(C)c1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9505016 CNKJRDKGPQLBLN-JLTOFOAXSA-N 375.432 3.353 30 40 GGEB CCCC[C@H](ON=C(C)C)C(=O)NCc1cccc(CN2CCOCC2)c1 95468820 DYINLHYRNTWMJG-FQEVSTJZSA-N 375.513 3.106 30 40 GGEB O=C(C[C@H]1S/C(=N/N=C/c2ccco2)NC1=O)c1cccc2c1CCCC2 12080356 WZUXMSXBLCRZDD-AGKWGAAGSA-N 381.457 3.353 30 40 GGEB CC(C)N(CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21)C(C)C 20612399 MJHAVTISRMMQFD-LCLYZWHDSA-N 392.584 3.222 30 40 GGEB biogenic C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 20721699 YEJRUPNKHSVCLE-QGZVFWFLSA-N 392.297 3.250 30 40 GGEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(O)/C=C/c1ccc2c(c1)OCCO2 58151315 NDMQNKJRKFHYAQ-ZZXKWVIFSA-N 394.836 3.006 30 40 GGEB C=CCN(C(=O)c1ccc(-c2ccccc2F)s1)[C@H]1CCS(=O)(=O)C1 58216793 UTFQERGYLHQDDE-ZDUSSCGKSA-N 379.478 3.370 30 40 GGEB N#Cc1ccccc1OCC(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10770934 FKNWYZNHZICCJK-UHFFFAOYSA-N 392.455 3.336 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 9234413 WQZVNFNIQRVVCK-AWEZNQCLSA-N 397.862 3.247 30 40 GGEB CCOc1cc(C#N)cc(Br)c1OCC(=O)NCc1ccccc1 5476019 XDONGLMWTHLUAN-UHFFFAOYSA-N 389.249 3.415 30 40 GGEB COc1ccc(NC(=O)[C@@H](C)O/N=C(\C)c2ccc(NC(C)=O)cc2)cc1OC 14397847 KDCZHPUYFUKGFH-FIKYGGOLSA-N 399.447 3.430 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 6787130 UXPILYFMRSAUEL-HVESIFNPSA-N 388.851 3.306 30 40 GGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(OC)cc2)S1 409079163 KUJHWZWNZLCDCJ-KAMYIIQDSA-N 375.446 3.043 30 40 GGEB C#CCN1CCCC[C@H]1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 72273212 LVQCUOHLOZTCIT-IBGZPJMESA-N 394.544 3.128 30 40 GGEB O=[N+]([O-])c1cc(/C=N\Nc2nc3ccccc3s2)ccc1N1CCOCC1 35415575 ZVYFADCTBLZECK-UNOMPAQXSA-N 383.433 3.487 30 40 GGEB Cc1cc(/C=N/c2cccc(C(=O)O)c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 144748055 KPZRNGLMWMUYLU-WSDLNYQXSA-N 397.456 3.190 30 40 GGEB C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nnc1-c1ccccn1 16755549 KGRJGGAQIFCSGX-UHFFFAOYSA-N 381.417 3.409 30 40 GGEB Cc1c(/N=C2\SCC(=O)N2Cc2ccccc2)c(=O)n(-c2ccccc2)n1C 4769892 LRMWHBYJSMCKKA-DQRAZIAOSA-N 392.484 3.248 30 40 GGEB COc1cccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1OC 4860451 VQALKOBEXPPZEM-UWGQAIRJSA-N 392.415 3.213 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)N2CCOCC2)nnc1-c1ccc(Cl)cc1 10240345 RHIVIBACIDURIZ-ZDUSSCGKSA-N 392.912 3.124 30 40 GGEB N#Cc1c(NC(=O)CSc2nc(-c3ccccc3)cn2N)sc2c1CCC2 8134538 ZYJFXDHWXWMTHI-UHFFFAOYSA-N 395.513 3.417 30 40 GGEB CC(C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 101302183 VVZYWGFNBGZDDS-SJTPKYKMSA-N 394.562 3.458 30 40 GGEB C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(C)on1 3402682 MAJFJKGMNXIHNM-UHFFFAOYSA-N 399.476 3.379 30 40 GGEB CC(C)Oc1ccc(OCCSc2[nH]c3ccccc3[n+]2CC(=O)O)cc1 6238436 WNMBEZBZKWQNEW-UHFFFAOYSA-O 387.481 3.498 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)Cc1cccc2ccccc12 7141050 CJPMIRNJQGSPSU-UHFFFAOYSA-N 389.367 3.344 30 40 GGEB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1ccc(C#N)cc1 7987043 NICZODYBAJWBBL-FMIVXFBMSA-N 381.863 3.390 30 40 GGEB Cc1cc(F)c(S(=O)(=O)/N=C(\O)c2ncccc2C(F)(F)F)cc1F 95461543 QMQBFVKDDBYKKK-UHFFFAOYSA-N 380.294 3.381 30 40 GGEB CC(C)C[C@@H](/C(O)=N/c1nc(C(F)(F)F)n[nH]1)N1Cc2ccccc2C1=O 95476839 YJYCMVOPCNQXJF-LBPRGKRZSA-N 381.358 3.482 30 40 GGEB Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCCN1C(=O)c1ccc(C#N)[nH]1 501159111 HCAWQIDTSVFCGK-LJQANCHMSA-N 393.422 3.042 30 40 GGEB CCOC(=O)c1c(C)oc2c1/C(=C/NCCCC(=O)O)C(=O)c1ccccc1-2 100859168 FSUWXUJZSBKXAY-PTNGSMBKSA-N 383.400 3.423 30 40 GGEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 1450314 JDDQDKAMGZNOKR-KRWDZBQOSA-N 380.356 3.368 30 40 GGEB CN(Cc1ccccc1N1CCCCC1)C[C@H](O)COc1ccc(C#N)cc1 25301795 DVLIJZYQPYAYRM-NRFANRHFSA-N 379.504 3.420 30 40 GGEB N#Cc1cccc(S(=O)(=O)/N=C(\O)c2csc(-c3ccsc3)n2)c1 48599192 CYJNFKLKQYITFG-UHFFFAOYSA-N 375.456 3.437 30 40 GGEB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1C#N 409189720 RWJCGASRDWOLCY-LZYBPNLTSA-N 397.818 3.322 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C1=O 4687729 RNYMPMCFGRSUQR-GIJQJNRQSA-N 380.425 3.492 30 40 GGEB Cc1cc(Br)cc2c1N(CC(=O)NC1(C#N)CCCC1)CCC2 72272298 YYJCIZNFKOSPHO-UHFFFAOYSA-N 376.298 3.463 30 40 GGEB Cc1ccc([C@H]2OCCC[C@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 72307248 ASLVVDNTQJXGRJ-IFMALSPDSA-N 393.487 3.141 30 40 GGEB COc1cccc(/C=N\N=C2NC(=O)CS2)c1OCc1ccccc1Cl 408846823 ZFWBQSXUWZFQKZ-UKWGHVSLSA-N 389.864 3.481 30 40 GGEB O=C(O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@@H](CC5)[C@@H]4C3=O)o2)c1 5024302 YWXAEKYBZLFIKF-DLJQPYPDSA-N 390.395 3.176 30 40 GGEB C[C@H](Cn1cncn1)C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133361 RVSGGNSBVCAUCT-GOSISDBHSA-N 387.487 3.333 30 40 GGEB COc1cc(OC)c(/C=N/NC(=S)Nc2ccccc2OC)c(OC)c1 3244273 BKHVBWDQXCQWFK-YBFXNURJSA-N 375.450 3.042 30 40 GGEB CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 3305777 CPVKZZUMCUFXSV-XWRADEMYSA-N 381.432 3.329 30 40 GGEB COc1ccc(-c2nc(C#N)c(NC[C@@H](c3ccco3)N3CCOCC3)o2)cc1 27795042 KYTSUWRKFCKMIC-SFHVURJKSA-N 394.431 3.300 30 40 GGEB COc1cc(/C=N/Nc2[nH]c(=O)nnc2C)ccc1OCc1ccc(Cl)cc1 3946855 YNPKLKCHQORRSC-UFFVCSGVSA-N 399.838 3.160 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1ccncc1 17246009 MVMYRKXEWKMYDT-LJQANCHMSA-N 396.443 3.094 30 40 GGEB C=CCn1c(SCC(=O)N(C)Cc2ccccc2)nc2ccsc2c1=O 13985688 UJVLHBHNNGIPDV-UHFFFAOYSA-N 385.514 3.395 30 40 GGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccccc2OC)S1 409079527 GKQHUMPGSDTYQM-KAMYIIQDSA-N 375.446 3.043 30 40 GGEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 70462120 NWNGLVROJCMIMM-UHFFFAOYSA-N 375.259 3.410 30 40 GGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 223739604 UAYGIASDBGBFJQ-UHFFFAOYSA-N 376.434 3.289 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SC[C@@H](O)c3ccccc3)nnc12 11022852 JOLYRNHJXJQFSN-QGZVFWFLSA-N 378.457 3.056 30 40 GGEB Cc1ccc(S(=O)(=O)OCC[C@H](C)OS(=O)(=O)c2ccc(C)cc2)cc1 1590545 YSOXTCSGMGOBKU-INIZCTEOSA-N 398.502 3.193 30 40 GGEB CCCCc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(OCC)c2)cc1 32575729 QSWNCEDJIUZAAF-ZHZULCJRSA-N 376.478 3.446 30 40 GGEB COc1ccc(/C=N\N=C2\NC(=O)[C@H](Cc3ccccc3C)S2)cc1OC 4866433 OPZHCNAKVSCTTH-UMUMUWHJSA-N 383.473 3.176 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1OC 676008 WDPKWELJQRXXBC-LJQANCHMSA-N 385.460 3.481 30 40 GGEB CCN/C(S)=N/N=C\c1cc(Br)c(O)c(Br)c1 55416891 QZFDHXIMYOBBAR-RZNTYIFUSA-N 381.093 3.146 30 40 GGEB N#Cc1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1Cl 13022987 RPALUVSYDSSTHZ-UHFFFAOYSA-N 376.199 3.229 30 40 GGEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc(C(F)(F)F)c1 408529086 BZWJDFCHXSZYOM-LWWSYDQCSA-N 393.365 3.291 30 40 GGEB CCNC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1 33768367 ASUVAZJPZTXFDF-SRZZPIQSSA-N 390.896 3.175 30 40 GGEB Cc1ccc(CN2CCC[C@]3(CCN(S(=O)(=O)c4ccc(C#N)cc4)C3)C2)o1 96215936 PGIQDXMMVMBLSU-NRFANRHFSA-N 399.516 3.137 30 40 GGEB C[N@@+]1(CC(=O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@@H](O)c1ccccc1)C2 261506654 REFUXNZBPJQVLU-QYMYTIESSA-N 394.491 3.286 30 40 GGEB COc1cc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc(OC)c1OC 2267033 ODYPYFOHLCIIMT-AUEPDCJTSA-N 392.415 3.094 30 40 GGEB C=CCN1C(=O)/C(=C\c2cc(Br)ccc2O)C(C(=O)OC)=C1C 6348216 BIJPCIITRGPOJV-LCYFTJDESA-N 378.222 3.013 30 40 GGEB COc1ccc(-c2nc(NCc3ccc(OC)c(OC)c3)nc(O)c2C#N)cc1 40129969 KTIMXEZVLGXSRJ-UHFFFAOYSA-N 392.415 3.359 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1 17746807 PUUUKSHZNMRJLP-LJQANCHMSA-N 399.418 3.449 30 40 GGEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C\[C@H]3[C@@H](C)C=C(C)C[C@H]3C)c(=O)[nH]c12 6621741 HSDNTQVKHHCNKZ-PQKDENJGSA-N 380.448 3.252 30 40 GGEB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)C(=O)N(O)C(=O)C[C@H]32)C1 8616310 LLUBVGAUALLRPJ-GRRDBQFMSA-N 375.465 3.235 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@@H]1c1cccs1 102926565 HLDNCBLIFUTFNT-HVESIFNPSA-N 387.457 3.133 30 40 GGEB COCCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)cc1)C3=O 12442614 SEBDEKIBLJQQPX-NDENLUEZSA-N 381.428 3.500 30 40 GGEB biogenic C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc([N+](=O)[O-])cc1 26963021 CVRXXJNTSMAHGQ-UHFFFAOYSA-N 398.415 3.288 30 40 GGEB C[C@H]1CCCC[C@H]1NC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13056658 HLTJXQFBTZVWLO-XJKSGUPXSA-N 394.566 3.022 30 40 GGEB C=C(C)CN1C(=O)[C@@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 5425543 DGXCLXPQMBEYGM-JOCHJYFZSA-N 381.428 3.087 30 40 GGEB O=C(CC1CCCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 6659050 KWZWRKYEOGAXSW-LGCYAQKOSA-N 392.546 3.258 30 40 GGEB N#Cc1cccc(OCCN2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 72293983 AOVRWBCLEWIRLA-OAQYLSRUSA-N 391.471 3.365 30 40 GGEB C[C@@]1(n2cc(/C=C/C(=O)c3cccc(C(F)(F)F)c3)cn2)CCS(=O)(=O)C1 84673581 YMUUKZHZXVHEBY-FUTAKVPZSA-N 398.406 3.332 30 40 GGEB N#Cc1ccccc1OCc1ccc(C(=O)N(CCO)Cc2ccccc2)o1 89832607 LVYXVNKZOZGDJW-UHFFFAOYSA-N 376.412 3.365 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 409045186 FVWRDXSNXKXGLX-DEGRTSSHSA-N 396.446 3.239 30 40 GGEB Cn1c(=O)n(C)c2cc(/C=N/Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc21 409086549 VWPYOHDPLHEIDY-ZVBGSRNCSA-N 393.325 3.250 30 40 GGEB CN(C)c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC(C)(C)C)c1 409409672 WIACJVDSMFXQGU-KODHJQJWSA-N 381.476 3.071 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224773028 KWHBNGPRCCRWQC-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB C/N=c1\scc(-c2ccc(O)cc2O)n1/N=C/c1cnn(-c2ccccc2)c1 12796160 NNHNPBLSBOQZDO-QNJJWZETSA-N 391.456 3.226 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccccc1OC(F)(F)F 32837422 ZXWUFJHVLIUGLO-UHFFFAOYSA-N 379.338 3.333 30 40 GGEB C[C@@H](CC(=O)OCc1cccc(C#N)c1)CC1=Nc2ccccc2S(=O)(=O)N1 575616636 VBRQIIUICDWVSC-CQSZACIVSA-N 397.456 3.040 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cc([N+](=O)[O-])ccc21 100875431 UZIDHLHXLZFDDA-VXPUYCOJSA-N 397.412 3.003 30 40 GGEB COc1cc2cc(C#N)c(SCC(=O)N3CCC[C@H](C)C3)nc2cc1OC 1355182 XGSSPXALSYXHQU-ZDUSSCGKSA-N 385.489 3.474 30 40 GGEB COc1ccccc1NC(=O)CSc1nnc(COc2ccc(C#N)cc2)o1 4892583 KODVCNGCDJEDJW-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB COCCn1c(SCCCC#N)nc2ccc(Br)cc2c1=O 7136880 NECTXALTIKIDQF-UHFFFAOYSA-N 382.283 3.201 30 40 GGEB CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc(C#N)c(Cl)c3)CC2)cc1 57848325 GERITJZHTNPPMP-UHFFFAOYSA-N 396.878 3.175 30 40 GGEB C=CCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12 2391127 WDDQNJXZJNUMHK-SSDVNMTOSA-N 376.445 3.026 30 40 GGEB Cc1ccc(C(=O)OCc2ccccc2C#N)cc1S(=O)(=O)N1CCCCC1 3536340 CJMQWDFOWQGQBI-UHFFFAOYSA-N 398.484 3.398 30 40 GGEB Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1C#N 12914701 FIFXWCLVVCNAST-SZNDQCEHSA-N 377.448 3.053 30 40 GGEB Cc1ccc(-c2nc(SCC(=O)OCc3ccccc3)[nH]c(=O)c2C#N)cc1 5238333 UKDDBEZMSIBSTF-UHFFFAOYSA-N 391.452 3.453 30 40 GGEB COc1ccc(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C#N)nnc23)cc1 4500312 XHOPOPUSLJMZDT-LBPRGKRZSA-N 377.429 3.046 30 40 GGEB COc1ccc(/N=C2\S/C(=C/c3ccc(N4CCOCC4)o3)C(=O)N2C)cc1 4694891 ITGLXYVOQWXAGU-NBEBQTRCSA-N 399.472 3.359 30 40 GGEB CCCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)S1 6671734 QUDJNOLKCOHKIR-CQSZACIVSA-N 383.901 3.373 30 40 GGEB CC(C)n1nnnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 95953373 VCYKTWRUOFGNKX-GFCCVEGCSA-N 376.511 3.379 30 40 GGEB Cc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1Br 408919195 UPROOTRZZWRIRW-PQTQVYOHSA-N 385.261 3.145 30 40 GGEB CCc1ccc(N([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 220270323 PTADFTKXZQQABX-HNNXBMFYSA-N 385.489 3.108 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 58369650 QMBKIEMXEOXRTC-JTQLQIEISA-N 382.800 3.463 30 40 GGEB Cc1nn(-c2ccccc2)c(O)c1/C=N/N(C)C(=S)NCc1ccccc1 3039689 NZSDNYYMCMRPJD-HYARGMPZSA-N 379.489 3.227 30 40 GGEB N#Cc1c(-c2ccco2)nc(SCC(=O)Nc2ccccc2Cl)[nH]c1=O 5095258 RSHHLVQKSORMPC-UHFFFAOYSA-N 386.820 3.286 30 40 GGEB COc1cc(/C=C/C(=O)c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 4683194 LJNRUQHSDLJEHZ-VMPITWQZSA-N 384.384 3.451 30 40 GGEB N#Cc1c(NC(=O)CCCS(=O)(=O)Cc2ccccc2)sc2c1CCC2 10687009 RLLWRQHOIBMWPZ-UHFFFAOYSA-N 388.514 3.442 30 40 GGEB COc1cc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)cc(OC)c1O 19826240 HTEAUZCUYHSDJH-OEAKJJBVSA-N 383.492 3.178 30 40 GGEB N#Cc1cc2cc3c(cc2nc1SCC(=O)N1CCCCCC1)OCCO3 1355083 NWQZXHJGTDAIBJ-UHFFFAOYSA-N 383.473 3.372 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2cccc(O)c2)/C1=C(\O)c1cccs1 102508558 IWMNRIYNAIEGAG-ILCKISKLSA-N 385.441 3.054 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccccc1F 102800292 VQLNWBJKOZAOHM-WOOAAIBNSA-N 399.418 3.293 30 40 GGEB C=CCOc1cccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)c1 8558457 RKPRULWUQFBGFL-UHFFFAOYSA-N 388.489 3.436 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@H]2c1ccc(F)cc1 22134179 OALDZHFAHRIVJP-HNNXBMFYSA-N 378.407 3.424 30 40 GGEB N#Cc1cnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nc1N 1223418 ZHHZCIYKRPBEAW-UHFFFAOYSA-N 391.456 3.240 30 40 GGEB O=[N+]([O-])c1ccc([C@H]2C[C@H](C(Cl)(Cl)Cl)OS(=O)(=O)O2)cc1 3154967 PJXNJUSJPRZPOY-RKDXNWHRSA-N 376.601 3.056 30 40 GGEB Cc1ccc(-n2ncc3c2ncn2nc(CO/N=C/c4ccccc4)nc32)cc1 2324676 ZGMQNVJDHZOFBJ-BHGWPJFGSA-N 383.415 3.322 30 40 GGEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccncc2)cc1 17992648 GHCMGJGCVZRRQM-IBGZPJMESA-N 396.443 3.095 30 40 GGEB c1ccc(Nc2nc(N/N=C3/CN4CCC3CC4)nc(N3CCCCC3)n2)cc1 4371957 ZAPISBYVBGLUBW-ITYLOYPMSA-N 392.511 3.099 30 40 GGEB CC(C)Oc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1 6781935 KSHAMKDPNMZXEY-LFVOPCPISA-N 398.459 3.050 30 40 GGEB COc1ccccc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 4119369 RCPLMHNLYOVJOJ-CJLVFECKSA-N 395.511 3.307 30 40 GGEB Cc1c(C(=O)N(C)C)sc(NC(=O)c2ccc(Br)o2)c1C#N 2764463 IVHCKNLEFKFHFU-UHFFFAOYSA-N 382.239 3.238 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)COC3)c(C(F)(F)F)c1 50206614 QICRQOFJDZOCBJ-UHFFFAOYSA-N 396.346 3.301 30 40 GGEB Cc1cc2cc(C#N)c(N3CCCN(C(=O)C(F)(F)F)CC3)nc2cc1C 1356899 PVHITWSUGMGNNX-UHFFFAOYSA-N 376.382 3.324 30 40 GGEB CC(=O)Nc1cccc([C@H](C)N(CC(=O)NCCC#N)Cc2ccccc2)c1 32909363 HOXMXKRNBAJDPC-KRWDZBQOSA-N 378.476 3.238 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1 102801183 JGHLXJFMQGLOEF-WOOAAIBNSA-N 399.418 3.293 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2)cc1C 922148 ZNOJYBXWPRYWQY-FQEVSTJZSA-N 394.471 3.144 30 40 GGEB C=C(C)Cn1c(=O)n(Cc2ccco2)c(=N)c2c3c(sc21)COC(C)(C)C3 2453948 XSMUONSPPXLHLF-UHFFFAOYSA-N 385.489 3.413 30 40 GGEB C=CCSC1=N/C(=C\c2cc(OC)cc([N+](=O)[O-])c2OC(C)=O)C(=O)S1 15016601 IODHZQJJMFLKON-GHXNOFRVSA-N 394.430 3.418 30 40 GGEB N#Cc1c(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)sc2c1CCCC2 9864727 LEHNFHFTNKXISB-UHFFFAOYSA-N 383.260 3.001 30 40 GGEB CCOc1cccnc1C(=O)OCC(=O)c1cn(CCC#N)c2ccccc12 79023919 QRIGHTJPRRWBQB-UHFFFAOYSA-N 377.400 3.388 30 40 GGEB COc1ccc(N=C2NC(=O)/C(=C\c3cc4c(cc3OC)OCO4)S2)cc1 408963216 AYGMSSWVYFXUKR-CAOOACKPSA-N 384.413 3.324 30 40 GGEB C=CCc1c(C)nc2c(-c3ccccc3)cnn2c1NCCN1CCOCC1 20547919 DJDCRVPBVPRTFF-UHFFFAOYSA-N 377.492 3.177 30 40 GGEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)C1CCCCC1 15894413 QIWYPYBVRVDVPS-VXAPJYQHSA-N 396.509 3.007 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(CC)cc1 4890446 IFEYTLSYCBBZBL-QGZVFWFLSA-N 386.521 3.385 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(O)cc1 102486062 ZCVHBJUONOCZKH-WOOAAIBNSA-N 381.428 3.159 30 40 GGEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(C)cc2)cc1 102798295 NBILZSIMJJEMAX-YDJIHCHBSA-N 395.455 3.462 30 40 GGEB N#Cc1ccc(CNC2(Cc3cc(COc4ccccc4)on3)COC2)cc1 67898150 FPRMKAYMCLXWIU-UHFFFAOYSA-N 375.428 3.227 30 40 GGEB biogenic,in-vitro CCN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1ccc2c(c1)OCO2 11351554 FAAUIVKJDINQKP-UHFFFAOYSA-N 383.473 3.298 30 40 GGEB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)COc1ccc(C#N)cc1 8410913 PGNLRXRGYKPLIM-UHFFFAOYSA-N 391.349 3.053 30 40 GGEB CCOc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc(N(C)C)cc3)NC2=O)cc1 4059015 BCBBFXHPTFDVOM-KWJZBXMYSA-N 396.516 3.316 30 40 GGEB O=C(CCC1CCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 5271089 KYSRLDWLRLKZNG-LGCYAQKOSA-N 392.546 3.258 30 40 GGEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccnc1 4632294 MKUWNTOXABMVQG-LJQANCHMSA-N 380.444 3.475 30 40 GGEB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1cccc(C#N)c1 4894982 YVUITIKALWAWSX-ZDUSSCGKSA-N 379.445 3.267 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1F 4742172 IDCLMHRSHQOAAB-LRDNONRASA-N 397.402 3.212 30 40 GGEB N#CC1(c2ccccc2)CCN(C(=O)c2ccc(OC[C@H]3CCCO3)nc2)CC1 390825861 JQOYYVOJYPYGHQ-HXUWFJFHSA-N 391.471 3.337 30 40 GGEB COc1cccc(/C=N/N2C(=O)N[C@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 3579816 DVYIGNAASIEFQM-AZHVYHFMSA-N 389.358 3.098 30 40 GGEB C=C(C)CN(CC)C(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1 24458919 GFCQINIHPADTLP-UHFFFAOYSA-N 392.546 3.307 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C1CC1)[C@@H]1CCc2ccccc21 58217397 NQRITKQBBQQBDV-OAQYLSRUSA-N 375.472 3.475 30 40 GGEB C#CCOc1ccc([C@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1OC 36360201 PCBBOXPSSNCTBF-CQSZACIVSA-N 399.472 3.124 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(OC)c1 6160479 HKGFIQFDOYENMA-IBGZPJMESA-N 399.418 3.449 30 40 GGEB CC(C)COC[C@H](O)CNC(=O)c1ccccc1Sc1ccccc1C#N 84544434 SMYPPQLSRGQMLB-QGZVFWFLSA-N 384.501 3.473 30 40 GGEB CC(C)(C)OC(=O)N1C[C@H](C#N)[C@@H](NC(=O)c2ccccc2OC2CCCC2)C1 95939176 GLLATAMYLMKWDS-YJBOKZPZSA-N 399.491 3.497 30 40 GGEB Cc1ccc(N([C@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1C 409411253 VGQADMRNRYNIQQ-MRXNPFEDSA-N 385.489 3.163 30 40 GGEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1C(F)(F)F 408534108 LIFGNSLGUWPLRM-ASHKBJFXSA-N 393.365 3.291 30 40 GGEB CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 70462139 OLCQDLIWCFSMPV-UHFFFAOYSA-N 394.431 3.218 30 40 GGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)C(=O)O)cc1 218382235 QAPGDBRNYPOZDN-XYJFISCASA-N 375.833 3.183 30 40 GGEB CCCCNC(=O)c1csc(Nc2cccc([C@@H]3CCCN3CC#N)n2)n1 585294034 MWWWKQNXYLSRCR-INIZCTEOSA-N 384.509 3.472 30 40 GGEB C[C@H](OC(=O)[C@@H]1Cc2cc(Cl)ccc2O1)C(=O)Nc1sccc1C#N 25111093 VEGNPPPYJREFAV-XPTSAGLGSA-N 376.821 3.147 30 40 GGEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1ccc(N2C(=O)CCC2=O)cc1 45466821 NNXYCHVNDQZHAG-UHFFFAOYSA-N 375.428 3.264 30 40 GGEB CCCN1C(=O)/C(=N\OCC(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc21 6398255 SBWQYLUZBQMATM-DAFNUICNSA-N 395.503 3.249 30 40 GGEB Cc1ccc2nc(-c3ccc(N/N=C4/C(=O)NC(=S)N=C4O)cc3)sc2c1 5885194 BBBITFDAJYZXCC-UHFFFAOYSA-N 395.469 3.411 30 40 GGEB N#Cc1ccc2c(c1)[nH]c(=O)n2C1CCN(CC(=O)c2ccc(Cl)cc2)CC1 85221164 YCQUMHTWZCKPGT-UHFFFAOYSA-N 394.862 3.374 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OC)c(OCC)c2)SC1=S 409339998 OHBLSOUTQJTUPL-GDNBJRDFSA-N 393.486 3.024 30 40 GGEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1O[C@H](C)CC 409405573 ONJSCOOVQKQTIU-NPACWLSJSA-N 382.460 3.404 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 40134676 PBCITKSYGPRIER-FXBPSFAMSA-N 391.880 3.405 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225102136 DRFORCGHOQWGSG-UHFFFAOYSA-N 381.425 3.233 30 40 GGEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3[C@H](O)C[C@]21C 245377386 KOKWAOHITJLJCF-GMKBEQEGSA-N 396.483 3.374 30 40 GGEB biogenic,in-vitro Cc1ccc2nc(C3=C(N)N(c4ccc(C(=O)OC(C)C)cc4)CC3=O)[nH]c2c1 5182920 DHMKJACSRQIMFM-UHFFFAOYSA-N 390.443 3.153 30 40 GGEB CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 40037363 FYRPDXLWXJGIIH-DENIHFKCSA-N 382.552 3.246 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1 102517765 POWLUAGCJUIIQT-WOOAAIBNSA-N 382.435 3.117 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2cccc(O)c2)no1 102717674 VPHQYGRQDDSLFR-GHNGSUTGSA-N 376.368 3.315 30 40 GGEB C=CCNc1nnc(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)s1 11392819 DXWKKGZXBQDUAO-SNVBAGLBSA-N 377.495 3.214 30 40 GGEB Cc1csc([C@H](C#N)C(=O)CSc2nc3ccccc3c3nc(C)nn23)n1 8750368 IMOSDTGUSKXEQM-CYBMUJFWSA-N 394.485 3.319 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 7737141 DGZRJFVWUJTBDE-KRWDZBQOSA-N 394.427 3.081 30 40 GGEB COc1cc(/C=C/c2nc(C#N)c(N3C[C@@H](C)O[C@H](C)C3)o2)cc(OC)c1OC 16768444 RJRVVFUHHWBYJG-JLVOYYQZSA-N 399.447 3.356 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076276 BRBDYYMSUKVHLT-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB N#Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1 5298198 MWIJCFDGKSCNOF-UHFFFAOYSA-N 375.384 3.029 30 40 GGEB C=CCn1c(NNC(=S)Nc2ccccc2)nc2sc3c(c2c1=O)CCC3 1019186 OTSMQHNFIDONID-UHFFFAOYSA-N 397.529 3.446 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)OCCOc2cc(C)ccc2C)cc1 11980899 UFBSJLRUPKIHIA-UHFFFAOYSA-N 389.473 3.004 30 40 GGEB CCCS(=O)(=O)N1CCC(=NOCc2coc(-c3cccs3)n2)CC1 32935623 CEIRMHIBFZRPJU-UHFFFAOYSA-N 383.495 3.111 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(F)cc1 102883261 RTZQFSLQFCCVPI-LFVOPCPISA-N 399.418 3.211 30 40 GGEB CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nnc1-c1ccncc1 23104401 YLGMGBWARMPAET-CYBMUJFWSA-N 384.490 3.094 30 40 GGEB Cc1nc(CSc2ccc(C(=O)Nc3nc(C#N)c(C#N)[nH]3)cc2)cs1 12544328 COXXHIZMTQCYPX-UHFFFAOYSA-N 380.458 3.463 30 40 GGEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCCCOC(C)C)n1 10399326 KRKSVTLSQBDMOB-UHFFFAOYSA-N 375.416 3.304 30 40 GGEB Cc1ccccc1S(=O)(=O)/N=C(\O)CCc1nnc(-c2ccsc2)o1 48425648 GVNSETMNFSDRCF-UHFFFAOYSA-N 377.447 3.385 30 40 GGEB CN/C(=N\c1ccc(F)cc1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 17970273 JJLJGQZRNRLTCN-INIZCTEOSA-N 387.436 3.107 30 40 GGEB Cc1ccc(-c2nc(SCC(=O)Nc3ccc(F)cc3)[nH]c(=O)c2C#N)cc1 5238304 XYCVGHBUSVWZIJ-UHFFFAOYSA-N 394.431 3.487 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCc2cc3c(cc2C1)OCCCO3 5346169 CUGVLKJNILOWGH-UHFFFAOYSA-N 397.862 3.370 30 40 GGEB CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1cccc2ccccc12 5746719 YCHSZXCZPGZHBW-UHFFFAOYSA-N 393.468 3.311 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(\O)c2oc3c(c2C)C(=O)CCC3)cc1C 66886931 YVQZQKOWNHGFTE-UHFFFAOYSA-N 377.418 3.118 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nc1C 7149693 OEGMZGBPRRWKEK-STQMWFEESA-N 375.494 3.035 30 40 GGEB C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 16737375 LFZMUCVJKHGJHR-FQEVSTJZSA-N 393.439 3.212 30 40 GGEB COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc([N+](=O)[O-])c1O 408872036 JIGGXLFXFXYPFU-ZSOIEALJSA-N 389.364 3.340 30 40 GGEB Cc1oc(-c2nc(C#N)c(NC(C)(C)C)o2)cc1S(=O)(=O)N1CCCC1 40288359 JFWVMUBCBKZMJE-UHFFFAOYSA-N 378.454 3.110 30 40 GGEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2ccn(C)n2)n1 585293168 CWGVXPMAMAXNBD-HXUWFJFHSA-N 388.479 3.256 30 40 GGEB CCSc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)C1=C(C[C@H](C)CC1=O)N2 14165116 LWYLDPIIWMNDGL-BTDLBPIBSA-N 386.477 3.372 30 40 GGEB N#Cc1c(Cl)nsc1N1CCC(C(=O)NCCc2ccccc2F)CC1 52283769 ALRVVTBYOQNUQO-UHFFFAOYSA-N 392.887 3.383 30 40 GGEB CC(=O)N1C[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)Oc2ccccc21 32727210 POBMEFRYZIVZAZ-KZULUSFZSA-N 395.484 3.497 30 40 GGEB CCCCCCCCCn1c(N/N=C(/C)CC)nc2c1c(=O)[nH]c(=O)n2C 101461082 AZCNLWCPMCRFCX-HMAPJEAMSA-N 376.505 3.372 30 40 GGEB C=CCOc1c(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cccc1OC 100765967 CEBMZQGRHNZBEB-ROUUACIJSA-N 383.492 3.008 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2n[nH]c(-c3ccccc3Br)n2)cc1 12762983 AHBRMWCYEIOEBA-UHFFFAOYSA-N 398.220 3.123 30 40 GGEB CCOc1cc(/C=C2\Cc3c(O)cccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 11336250 DJLHKODYNSKLRQ-DSQDWWTGSA-N 395.455 3.469 30 40 GGEB Cc1cccc(NC(=O)C[C@H]2S/C(=N\c3ccc4c(c3)OCO4)N(C)C2=O)c1 4714828 WWRHRJAXIWOLPM-SLNYWTKHSA-N 397.456 3.314 30 40 GGEB CC1=NOC(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 409088764 YCQBPBQPNDDDKQ-YBEGLDIGSA-N 377.805 3.424 30 40 GGEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2ncccc2c1=O 31615238 ANQXRBQGFNPVBS-UHFFFAOYSA-N 380.473 3.325 30 40 GGEB O=C(ON=Cc1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 252430877 PLIHQMCBPVPWFZ-UHFFFAOYSA-N 394.137 3.456 30 40 GGEB C=CCc1cc(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc(OC)c1O 12188196 GBVNMJMRMHSZBN-UHFFFAOYSA-N 397.471 3.342 30 40 GGEB COc1cc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)cc(OC)c1OC 13653712 QVFWBQWKYSUZAJ-PXNMLYILSA-N 385.416 3.096 30 40 GGEB biogenic C#CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 37085009 HXUCLQGECIVVRS-KNQAVFIVSA-N 376.456 3.237 30 40 GGEB C=CCOC(=O)[C@H]1[C@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 4908793 RXEFEKFVTCJSBE-RADWXHQJSA-N 384.476 3.197 30 40 GGEB CS(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 103624118 BRGXVFJOTDAMDP-UHFFFAOYSA-N 378.159 3.066 30 40 GGEB CN(CCC#N)c1ccc(CNC[C@@H]2CN(Cc3ccccc3)CCO2)cc1 9338989 KRWTWZSWUMUXAB-HSZRJFAPSA-N 378.520 3.027 30 40 GGEB CCCCCCCCOc1ccc(CNC2CCN(CC(N)=O)CC2)cc1 102799470 CALMKGHBVJDBGY-UHFFFAOYSA-N 375.557 3.465 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 102926829 YZXGCZFICNYEER-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@H]1COc2ccccc2O1 48288274 NYHHYXGBRQNGBJ-HNNXBMFYSA-N 377.400 3.162 30 40 GGEB COc1ccc(-c2csc(C3=C(N)N(CCC(C)C)CC3=O)n2)cc1OC 6584554 MXVYALWYDXPJOV-UHFFFAOYSA-N 387.505 3.385 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccc(F)cc2)cc1 19904228 OJAYNXZTRFOAJT-GOSISDBHSA-N 383.375 3.187 30 40 GGEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2ccn(C)n2)n1 585293167 CWGVXPMAMAXNBD-FQEVSTJZSA-N 388.479 3.256 30 40 GGEB Cc1csc([C@](O)(CC(=O)N(C)Cc2ccc(C#N)cc2)C(F)(F)F)n1 58423350 GNXVERFDHSEFJZ-MRXNPFEDSA-N 383.395 3.122 30 40 GGEB CCCN1C(=S)N[C@H](c2cccc(C#N)c2)C(C(=O)Nc2cc(C)on2)=C1C 11202871 RCNDZOWFAAZCMQ-GOSISDBHSA-N 395.488 3.409 30 40 GGEB C=CCN(CCNP(=O)(OCC)OCC)CP(=O)(OCC)OCC 19996314 PPVHVUWTLKMJPR-UHFFFAOYSA-N 386.366 3.469 30 40 GGEB C=C[C@]1(C)[C@H](C(C)(C)C(=O)O)C[C@H](O)[C@]2(C)OC3=C(C[C@@H]21)C(=O)C[C@@H](C)O3 514288249 YEXGHUFFSUBLPG-HNULCOLQSA-N 378.465 3.055 30 40 GGEB biogenic,in-vitro Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 10338150 XGHOSWUOTBGHPL-MRXNPFEDSA-N 385.489 3.163 30 40 GGEB COCCN1COc2ccc3c(c2C1)O/C(=C\c1ccc(OC)c(OC)c1)C3=O 12442518 HZMNGKWJUGTDIL-JAIQZWGSSA-N 397.427 3.118 30 40 GGEB biogenic CS(=O)(=O)N(CC(=O)Nc1cc(Cl)cc(Cl)c1)c1cccc(C#N)c1 24928852 UALUWBNVYKZIEM-UHFFFAOYSA-N 398.271 3.270 30 40 GGEB CCOC(=O)[C@H](C#N)[C@H](c1ccc(OC)cc1)N1CCN(c2ccccc2)CC1 31659638 JBJKHDDJGFHUBZ-YADHBBJMSA-N 393.487 3.261 30 40 GGEB C=CCNC(=O)C1(Cc2cccc(-c3cncnc3)c2)CCN(C(=O)CC)CC1 257247837 JATVCRQJXRULMB-UHFFFAOYSA-N 392.503 3.007 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O 19592857 LUJDWGBEUMFTHM-NRFANRHFSA-N 392.499 3.016 30 40 GGEB Cc1cc(N(C)C)ccc1NC(=O)CCc1c(C)nc2c(C#N)cnn2c1C 40111650 NGKMBUXKYZHXLM-UHFFFAOYSA-N 376.464 3.164 30 40 GGEB CC(C)n1ncc2c1NC(=O)[C@H]([N+](=O)[O-])[C@H]2c1ccc(F)c(Br)c1 100254862 YCYTWLGPHASAOL-QWHCGFSZSA-N 397.204 3.095 30 40 GGEB CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C#N)c1C 1965088 OIVIUPLDHMUAMS-UHFFFAOYSA-N 389.389 3.031 30 40 GGEB CCC(CC)C(=O)N1CCC(=NOCC(=O)NCc2ccccc2Cl)CC1 32932717 SUDRMZLNYSSPOG-UHFFFAOYSA-N 393.915 3.387 30 40 GGEB O=C1C(Cl)=C/C(=N/S(=O)(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21 102628595 HUGNVFDTVFGBHD-SDXDJHTJSA-N 376.777 3.092 30 40 GGEB O=S(=O)(/N=C(\O)CCc1c(F)cccc1F)c1ccc2c(c1)OCCO2 48470456 ACIOCXLVUJITMK-UHFFFAOYSA-N 383.372 3.014 30 40 GGEB CC(C)C(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 13756554 HYYVJUQPNSSMTR-UHFFFAOYSA-N 384.524 3.233 30 40 GGEB CC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1sccc1C#N)C2=O 14198230 RYUGQSFGTBBWCL-UHFFFAOYSA-N 388.493 3.085 30 40 GGEB Cc1ccc(NC(=O)COc2ccc(/C=N/n3c(C)n[nH]c3=S)cc2)cc1 27525846 SJGPPOSEHYSJIU-RGVLZGJSSA-N 381.461 3.457 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)C(=O)NC1=S 4723743 LCIJOQQMLLMRCH-GHRIWEEISA-N 378.453 3.078 30 40 GGEB C[C@@H]1Sc2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc2NC1=O 8716222 XYCUUTGUXFJNIB-NEPJUHHUSA-N 395.440 3.175 30 40 GGEB COC(=O)c1ccc(-c2ccc(C=Nn3c(O)nc4ccccc4c3=O)o2)cc1 409357489 JHDIXQYGRIUOTF-UHFFFAOYSA-N 389.367 3.031 30 40 GGEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1 225658281 PVOCQCDGBJGREJ-FHWLQOOXSA-N 375.877 3.344 30 40 GGEB Cc1csc([C@@](O)(CC(=O)N(C)Cc2ccc(C#N)cc2)C(F)(F)F)n1 58423347 GNXVERFDHSEFJZ-INIZCTEOSA-N 383.395 3.122 30 40 GGEB CCc1ncnc(N(C)CC2CCN(c3ncc(C#N)cc3Cl)CC2)c1F 1888873050 COVOLCVTDYIZDX-UHFFFAOYSA-N 388.878 3.451 30 40 GGEB Cc1cc(C)n2nc(SCc3c(C#N)c(C)nn3-c3ccccc3)nc2n1 18346357 FLDKGXUFWTWFGL-UHFFFAOYSA-N 375.461 3.399 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cc(OC)ccc21 100875889 BYWJPHMDIYMNPY-MRCUWXFGSA-N 382.441 3.103 30 40 GGEB CC1=NN(C(=O)c2ccccc2O)[C@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 59366445 FKFUOFIXDSWRRE-LLVKDONJSA-N 388.239 3.136 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccc(O)cc2)no1 102865746 BRBOQLAJYQIGHG-SELCWUDQSA-N 376.368 3.315 30 40 GGEB N#Cc1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)s2)c1 25055485 HIJOJVCJAKGMQK-ZDUSSCGKSA-N 395.893 3.065 30 40 GGEB COc1ccc(/C=C/C(O)=N/S(=O)(=O)Cc2ccc(Cl)nc2)cc1F 58151335 ZVYFAZWGEMWISL-QPJJXVBHSA-N 384.816 3.382 30 40 GGEB COC(=O)c1ccc(C(=O)OC)c(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1 44843645 YRRZESFKXBKHFZ-MDZDMXLPSA-N 399.399 3.086 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)/C=C/c3cccc4cccnc34)CC2)cc1 12774697 KEPMPKWHXCNBJD-ZHACJKMWSA-N 382.467 3.464 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCOC)cc1 5045082 RHBYILWZHNBDSW-FQEVSTJZSA-N 393.439 3.476 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(C)o1 6428311 FFHHLHVHSYFRTK-ORAYPTAESA-N 397.427 3.136 30 40 GGEB biogenic Cc1cc(C)nc(N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)n1 6932196 WPMSQWIURJLDPG-FYJGNVAPSA-N 394.504 3.500 30 40 GGEB CC1(C)Cc2c(C#N)c(OCc3ccc(F)cc3)nc(N3CCOCC3)c2CO1 71279312 FMWYCLVIKICSLZ-UHFFFAOYSA-N 397.450 3.359 30 40 GGEB CS[C@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)O)C(=O)N1CC(C)C 62716450 MGGJKVRMDMJVQA-SFHVURJKSA-N 381.881 3.481 30 40 GGEB C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)C(C(=O)OC)=C1C 408769868 QBBPIEYOKFZHDD-UVTDQMKNSA-N 392.249 3.316 30 40 GGEB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 8229544 QQAPBDABECEANV-LBPRGKRZSA-N 390.900 3.139 30 40 GGEB O=C1C=C(S(=O)(=O)O)c2ccccc2C1=NNc1ccc2ccccc2c1O 299872437 QNEGQZGHPJUFJX-UHFFFAOYSA-N 394.408 3.173 30 40 GGEB aggregator N#Cc1cccc(C(=O)N2CC3(C[C@H](CCOc4cccnc4)CCO3)C2)c1 575403451 IHZWJDBETJDLGD-QGZVFWFLSA-N 377.444 3.044 30 40 GGEB O=C(C[C@@H]1S/C(=N/c2ccc(F)c(Cl)c2)NC1=O)NCc1ccccc1 7785093 SOTUJHIHUNICIM-HNNXBMFYSA-N 391.855 3.405 30 40 GGEB COc1ccccc1/C=C1\Oc2c(CN3CCN(C)CC3)c(O)cc(C)c2C1=O 20573436 VVMIVJXOZJEVKD-MOSHPQCFSA-N 394.471 3.073 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1)C2=O 20503748 SJDDMPMTZFPONB-ZHZULCJRSA-N 383.444 3.103 30 40 GGEB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2Cl)C2=C(CCCC2=O)N1 20028897 FLBYURHJLWFNCW-IBGZPJMESA-N 386.879 3.167 30 40 GGEB Cc1ccc(/N=C2\SCCCN2C(=O)[C@@H]2CCS(=O)(=O)C2)cc1Cl 32768184 SCUDOMFTJYJCDL-MHMQGTJDSA-N 386.926 3.036 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1Br)CC(=O)N2 4944227 JEWGQHPFGKDQDN-JTQLQIEISA-N 392.278 3.285 30 40 GGEB C[C@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(=O)Nc1cccc(C#N)c1 6391423 DZQBEJHSCGTWBU-NSHDSACASA-N 398.879 3.303 30 40 GGEB C=CCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCOC)cc1 102704450 XUXIAMGVVZXLLG-WOOAAIBNSA-N 397.427 3.303 30 40 GGEB CC[C@@H](C)c1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O 24971534 CHXNDGKZYKYRBF-OAHLLOKOSA-N 385.489 3.476 30 40 GGEB CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 2252153 JKVXZISQSJLZAM-YESZJQIVSA-N 395.507 3.157 30 40 GGEB C[C@@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313822 MJYMUAMEWUGKNK-SNVBAGLBSA-N 388.522 3.329 30 40 GGEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 13683773 FWYWCWYYERUHLK-GOSISDBHSA-N 395.484 3.369 30 40 GGEB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2C)cc1 5846945 RQAJAKNZLICFFO-ZDUSSCGKSA-N 393.472 3.482 30 40 GGEB Cc1c(C(=O)O)cccc1-c1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)o1 409408850 RWFTYUCMILPVFE-BIPCEHGGSA-N 390.395 3.094 30 40 GGEB C=CCOc1c(Cl)cc(/C=C2\SC(NC(C)=O)=NC2=O)cc1OCC 409026776 XXPWJWBCBSNLMP-ZROIWOOFSA-N 380.853 3.410 30 40 GGEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc(OC)c1O 18195890 RSGKMRLTZGPSRN-AWEZNQCLSA-N 385.420 3.039 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2c(C)cc(C)cc21 101042129 UENBTCAXJMLUIW-MRCUWXFGSA-N 398.509 3.097 30 40 GGEB CC(=O)N1C[C@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)Oc2ccccc21 32727213 POBMEFRYZIVZAZ-KPZWWZAWSA-N 395.484 3.497 30 40 GGEB COc1ccccc1[C@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1C[C@H]1CCCO1 102862436 YNOVZBYOGBOQBZ-OAPKMZNLSA-N 399.468 3.357 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=C3SCCC(=O)N32)cc1 2487001 PPEDAEWXYHFVLL-GOSISDBHSA-N 386.473 3.465 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(O)cc1 6238870 QARRVLVCPJLIIW-IBGZPJMESA-N 397.427 3.016 30 40 GGEB biogenic CCc1cc(C#N)c(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)s1 59829134 IQPIEUSWZKETKY-ZDUSSCGKSA-N 399.472 3.191 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccccc1F 102800290 VQLNWBJKOZAOHM-LFVOPCPISA-N 399.418 3.293 30 40 GGEB CCCCCCCNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 59931574 PELQKTSCPTXEMH-SFHVURJKSA-N 380.554 3.482 30 40 GGEB Cc1c(C(=O)OCC(=O)N(C)CCC#N)oc2ccc(Br)cc12 3285236 NNHPOVYKKYXPDG-UHFFFAOYSA-N 379.210 3.033 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CN(CCO)Cc3ccccc3)C(=O)O[C@@H]1C2 4028008 VTCCECULTVEOLP-MUWCXKAGSA-N 399.531 3.008 30 40 GGEB biogenic COc1ccc(OC)c(N/C(=N/S(=O)(=O)c2ccccc2)C(F)(F)F)c1 4371796 MTTSUBMKHXGEQA-UHFFFAOYSA-N 388.367 3.465 30 40 GGEB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)N(C)C3(C#N)CCCCC3)cc2)n1 8711760 DLOGZDSTHUDMIA-UHFFFAOYSA-N 394.475 3.331 30 40 GGEB C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1cccc(F)c1 4704149 WMBWDCVUVRDGOL-GOSISDBHSA-N 381.407 3.486 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(F)c1)C(C(=O)OC)=C(C)N2 8132260 MFRKEHJTDXJRLV-CQSZACIVSA-N 387.436 3.192 30 40 GGEB O=C1C=Cc2ccccc2/C1=N\Nc1ccc2ccccc2c1S(=O)(=O)O 136699399 CHHFZTOBKUTDDK-ZBJSNUHESA-N 378.409 3.499 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548626 LPWLGDPEPPTFOT-ZHALLVOQSA-N 389.860 3.353 30 40 GGEB CCc1nc(S(=O)(=O)N(CC#N)c2ccc(F)cc2C)cn1CC1CC1 600670213 NQTOBWIRAZJVSZ-UHFFFAOYSA-N 376.457 3.022 30 40 GGEB COc1ccc(OC)c(/N=C(\S)NN/C(S)=N/Nc2ccccc2)c1 6403949 JENGYGNOSJMXJQ-UHFFFAOYSA-N 377.495 3.028 30 40 GGEB COc1cc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2cc1OC 1355186 QXYIELGLLOFODY-UHFFFAOYSA-N 385.489 3.474 30 40 GGEB O=C1[C@@H]2[C@@H](C(=NS(=O)(=O)c3ccccc3)[C@@H]3[C@@H]1[C@H]1C=C[C@H]3C1)[C@H]1C=C[C@H]2C1 104139138 MDJKILPCVPRFTK-TYRPIGDUSA-N 379.481 3.276 30 40 GGEB C=CCc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)cc(OCC)c1O 981832 MNPVVKHJDKXJRU-HGLKBHAMSA-N 391.445 3.117 30 40 GGEB COC(=O)c1ccc(N/N=C/c2cc(Br)cc(OC)c2O)cc1 4647086 RYFZGZSJDGFGNZ-GIJQJNRQSA-N 379.210 3.396 30 40 GGEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1/C=N/c1ccc(F)c(Cl)c1 4738545 MFMYBGKJUCMJAJ-CGYLCNSDSA-N 377.734 3.220 30 40 GGEB N#C[C@@H](c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1ccc(F)cc1 6942936 PNZVKGZSGBYOFT-SFHVURJKSA-N 396.447 3.408 30 40 GGEB Cc1noc(C)c1S(=O)(=O)/N=C(\O)c1cc2c(OC(F)F)cccc2[nH]1 78564598 XHQVFFLTMRQVCW-UHFFFAOYSA-N 385.348 3.068 30 40 GGEB CC(C)[C@@H](NC(=O)N1CCc2c(CC#N)cccc2C1)c1nnc2ccccn12 598980566 GGLQBBWKQWBOSI-HXUWFJFHSA-N 388.475 3.260 30 40 GGEB C=C(C)Cn1nc(C)c(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1C 12667762 LOPBBZYVSBEEOH-SFHVURJKSA-N 393.539 3.389 30 40 GGEB N#Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4176901 XVNQBNUHIGKCCI-UHFFFAOYSA-N 383.473 3.375 30 40 GGEB N#Cc1cc(Br)cnc1N1CCC[C@H](COc2nccs2)C1 2298192530 DSFNGASEIRBSHL-NSHDSACASA-N 379.283 3.468 30 40 GGEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)c(OC(C)C)c1 101021026 RSNUGYUYTARSKV-VQXCYUSVSA-N 382.460 3.402 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N 848867 WZICCNNVCGEKOT-VQTJNVASSA-N 387.399 3.376 30 40 GGEB CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)N[C@@H]1CCCc2ccccc21 104897606 NEOWAZNDLOWZDJ-MBTVCVBTSA-N 386.517 3.212 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccco2)cc1 5489183 BTYOYAJXPIMDRT-LPHOPBHVSA-N 397.427 3.436 30 40 GGEB COc1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)c1 4680842 RFTSJWNMQYCMIZ-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 18152869 RNNBTAGXFKHENJ-IBGZPJMESA-N 390.395 3.462 30 40 GGEB Cn1cc(-c2nc([C@H]3CCCCCN3C(=O)c3cccc(C#N)c3)no2)cn1 96001866 USLFQVCIFXWFEH-QGZVFWFLSA-N 376.420 3.099 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@]2(C)CCN(c3ccccc3)S2(=O)=O)cc1 225949647 VWDWCEPGWPPISD-HXUWFJFHSA-N 386.473 3.189 30 40 GGEB N#CCc1ccc(NC(=S)NCc2ccccc2CN2CCOCC2)cc1 225777866 OUAGFTMXJLGIPC-UHFFFAOYSA-N 380.517 3.071 30 40 GGEB CCN(CC)[C@H]1CCN(c2cc(C)nc(N3CC[C@H](N(CC)CC)C3)c2C#N)C1 596143314 SIKIMVNDFLZDJI-PMACEKPBSA-N 398.599 3.103 30 40 GGEB CS/C(=N/S(=O)(=O)c1ccc(Br)cc1)NCc1ccco1 16248580 RZFKYZXJZWDWLD-UHFFFAOYSA-N 389.296 3.240 30 40 GGEB C/C(=N/NC(=S)N1CCN(c2ccccn2)CC1)c1cccc2cccnc12 5551188 NGNGDVSSBXKDOU-JLPGSUDCSA-N 390.516 3.051 30 40 GGEB COc1ccc(C)c2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2086867485 RQXAXIWODKVZKC-HZPDHXFCSA-N 391.500 3.453 30 40 GGEB CC(=O)OCc1c(OC(C)=O)ccc2c1O/C(=C\c1ccc3c(c1)OCO3)C2=O 11865371 LXBPSIKMDKXMGP-UWVJOHFNSA-N 396.351 3.020 30 40 GGEB biogenic C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1c[nH]c2ccccc12 7564426 YGIDTJUFJIQMJO-ZDUSSCGKSA-N 375.384 3.448 30 40 GGEB C#CCN(CC(=O)N[C@H](C)c1cc(OC)ccc1OC)Cc1ccc(C)cc1 60099525 KLOPUTNULNLTQG-GOSISDBHSA-N 380.488 3.325 30 40 GGEB CCCCCCCCOc1ccc(/C=c2\sc3n(c2=O)CCN=3)cc1OC 101013055 YAVCEOXLTQCBNF-CYVLTUHYSA-N 388.533 3.120 30 40 GGEB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3ccccc3)c2)c1 12919944 DZTZJXKGWTVPHP-UHFFFAOYSA-N 390.464 3.247 30 40 GGEB O=[N+]([O-])[C@H](/C=N/OCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 5378146 MAQUXGYNXCHGCQ-UPAIAECRSA-N 386.788 3.058 30 40 GGEB Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1 5601259 JHSHZSHHMVBZBH-QGMBQPNBSA-N 383.389 3.435 30 40 GGEB N#Cc1ccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 7238950 RWFQPRYKDLLKRR-UHFFFAOYSA-N 387.417 3.433 30 40 GGEB CC1(C)Cc2c(C#N)c(OCCN3CCCCC3)nc(N3CCCC3)c2CO1 71280876 OUQBNDHVFMQWOM-UHFFFAOYSA-N 384.524 3.269 30 40 GGEB N#Cc1c(CCCCCNCc2c[nH]nc2-c2ccc(Cl)cc2)n[nH]c1N 9378443 DPMQOLKOIZWYIJ-UHFFFAOYSA-N 383.887 3.410 30 40 GGEB C#CCN(C)Cc1nc(C2(O)CCN(C3CCC(F)(F)CC3)CC2)cs1 225424487 QSMNQJUPPPZAJK-UHFFFAOYSA-N 383.508 3.069 30 40 GGEB biogenic,in-vitro N#Cc1ccc(S(=O)(=O)N2CCC(c3ccc4cccnc4n3)CC2)cc1 594475113 QHBBQXGKKMYYOQ-UHFFFAOYSA-N 378.457 3.070 30 40 GGEB CCOC(=O)[C@H](C#N)C(c1cc(Cl)cc(Cl)c1O)[C@H](C#N)C(=O)OCC 13575608 FAJBVOHIEOVGDX-ONXXMXGDSA-N 399.230 3.188 30 40 GGEB CCOC(=O)[C@@]1(C(N)=O)O[C@]1(c1ccc(Cl)cc1)c1ccccc1Cl 4921098 CBGRCWIFFWBLAC-QZTJIDSGSA-N 380.227 3.054 30 40 GGEB CCOc1ccc(NC2=NC(=O)/C(=N\Nc3ccc(C(=O)O)cc3)S2)cc1 102928398 JXRSEKIDGALMSA-CJLVFECKSA-N 384.417 3.250 30 40 GGEB CC(C)(C)[C@@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 79022874 QIYLDFBRPOJWRG-CQSZACIVSA-N 377.491 3.217 30 40 GGEB N#CCSc1ccccc1/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58152316 KJYWAOYEDHBKPS-UHFFFAOYSA-N 381.866 3.185 30 40 GGEB C=CCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCc2ccccc2C1 2319728 ZVOAKPNHWYOFJS-SFHVURJKSA-N 383.455 3.102 30 40 GGEB N#Cc1ccc(Cc2cnc(NC(=O)C3CCN(C(=O)C4CC4)CC3)s2)cc1 13023513 KJERSFOFBXVPJD-UHFFFAOYSA-N 394.500 3.193 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/[C@@H]2CC=CCC2)c([N+](=O)[O-])c1 5020174 XZNBMMUDQPKPMO-QFGUUYLXSA-N 380.470 3.379 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccc(C)s2)c([N+](=O)[O-])c1 5163378 GQAPYLHNBCSQJR-GZTJUZNOSA-N 396.494 3.441 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccco1 5799406 AEPVKFVFJVWGDA-LFVOPCPISA-N 382.460 3.433 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)cc2OC)c1C 4870372 SYKTXQGXEUCXSW-UHFFFAOYSA-N 387.432 3.356 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)c2cccs2)nc1C 7149466 MDPYRCDTYHJRKP-GFCCVEGCSA-N 389.502 3.469 30 40 GGEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1=Cc2ccccc2CC1 71843997 DFXRYJQSKXOXPR-PBHICJAKSA-N 379.478 3.234 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1C=Nc1ccccc1F 408531890 HKVKWKPOWQZTKS-GFCCVEGCSA-N 393.296 3.446 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(=O)OCC)cc3)c2C)C1=O 409123313 GBYYFAROYDLIIV-CPNJWEJPSA-N 393.443 3.350 30 40 GGEB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc(C#N)c3)ccc21 225865911 IMTOQXHWWZTKRD-UHFFFAOYSA-N 382.445 3.148 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(O)c1 101508858 UQDGMNCRJSJTLK-IBGZPJMESA-N 385.460 3.186 30 40 GGEB COCC/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 7882744 ORYPEKPYNWHVMG-KRWDZBQOSA-N 399.472 3.042 30 40 GGEB O=C1[C@@H]2[C@@H](C(=NS(=O)(=O)c3ccccc3)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@H]13)[C@H]1C=C[C@H]2C1 104139142 MDJKILPCVPRFTK-PGEXEGRFSA-N 379.481 3.276 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 20445154 WENQFXRBZFZFHH-SMXHQDLGSA-N 380.535 3.033 30 40 GGEB COc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(F)F 4370858 SPUVBMXHEIDMHE-LBPRGKRZSA-N 396.390 3.185 30 40 GGEB COc1cc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)ccc1O 4599096 WGCCUPABHFATCC-DCVQPNPVSA-N 384.413 3.333 30 40 GGEB O=S(=O)(c1ccc2ccccc2c1)N1CCC(O)(C#Cc2ccccc2)CC1 3844291 AKUHTSQOSHQJTB-UHFFFAOYSA-N 391.492 3.407 30 40 GGEB biogenic CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507962 LFZLWVWWMRZGKN-ZNWLFMFGSA-N 394.562 3.458 30 40 GGEB C[C@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3C#N)CCCC2)s1 225685248 DYHHFPMSJCYEAR-AWEZNQCLSA-N 397.500 3.240 30 40 GGEB CCOC(=O)c1ccc(N2C=C3C(=O)c4ccccc4O[C@@H]3SCC2=O)cc1 226758984 KPZTUTDICHWJBN-OAQYLSRUSA-N 395.436 3.428 30 40 GGEB CCc1nnc(N[C@@H](C)CN2CCN(c3ccccc3)CC2)c(C#N)c1CC 1650779638 OSOUTYFSLJXCRX-KRWDZBQOSA-N 378.524 3.096 30 40 GGEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H](COc3ncccc3Cl)C2)cc1 1890825194 AEPRZMVCTMCZNP-HNNXBMFYSA-N 391.880 3.086 30 40 GGEB COC(=O)c1ccc([C@@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 4451175 ROHAINIZEJOEFL-VSKRKVRLSA-N 397.434 3.464 30 40 GGEB N#CCc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12815508 RHXXXDRKJMWZNZ-UHFFFAOYSA-N 392.484 3.432 30 40 GGEB N#Cc1cccc(Cn2c(=O)n(-c3cccc(F)c3)c(=O)c3sccc32)c1 67258277 ZYZGLNCUFSBZHS-UHFFFAOYSA-N 377.400 3.273 30 40 GGEB C=CCn1c(SC[C@H](O)COc2cccc(C)c2)nnc1-c1ccncc1 7199056 VLHGHIAVKIOIMS-QGZVFWFLSA-N 382.489 3.367 30 40 GGEB Cc1ccc(NC2=NC(=O)[C@@H](C#N)C3(CCN(Cc4ccccc4)CC3)N2)cc1 20673361 KOBOBMAPZVGNTO-HXUWFJFHSA-N 387.487 3.067 30 40 GGEB Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc12 95939180 YKMUBQVFFBSPIB-SJKOYZFVSA-N 386.427 3.104 30 40 GGEB COc1ccc(NC(=O)COc2c(Br)cc(C#N)cc2OC)cc1 408605933 ZIHCIFAUTHRKTG-UHFFFAOYSA-N 391.221 3.355 30 40 GGEB C/C(=N\N)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841535 XKEMNIJCNUTONK-UVGPDOEQSA-N 379.460 3.143 30 40 GGEB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H](CC5)[C@H]4C3=O)o2)cc1 222248209 RTWHMHDTOXWSFN-GVNNQWGASA-N 390.395 3.176 30 40 GGEB N#CCN1CCC[C@@H](c2cccc(Nc3nc(C(=O)N4CCCC4)cs3)n2)C1 585294302 PHBCTRHPOGIKTE-OAHLLOKOSA-N 396.520 3.221 30 40 GGEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1O 100007683 ALNUPNKXHYMYMP-YBFXNURJSA-N 387.417 3.249 30 40 GGEB CC(C)/N=c1\ccc(C#N)cn1C(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 32832348 JAGSLOWBAGWYLL-SAZKUCFMSA-N 382.851 3.016 30 40 GGEB O=[N+]([O-])c1ccc(N2CCC(c3ccccc3)CC2)c(/C=N/n2cnnc2)c1 59488646 KSDJQWSEEVEXGZ-YDZHTSKRSA-N 376.420 3.453 30 40 GGEB N#Cc1ccsc1NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3361647 FSDDVLICMJEOGM-UHFFFAOYSA-N 394.433 3.249 30 40 GGEB CC(C)(C)c1ccc(/C=c2/sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1 6615525 WWLIFRJVZKUYLS-FYJGNVAPSA-N 399.519 3.282 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N 95351604 SJSYEZFNLZPPOT-PMACEKPBSA-N 387.399 3.376 30 40 GGEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218385117 QRNWOCVUAQFZNO-SOLBZPMBSA-N 375.833 3.183 30 40 GGEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)CO)cc1 225658225 PVOCQCDGBJGREJ-OTWHNJEPSA-N 375.877 3.344 30 40 GGEB CCOc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC 5155962 DJOAJYFNHQVNIO-WUXMJOGZSA-N 389.473 3.240 30 40 GGEB CCOC(=O)C1=C(C)N/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 16682322 NQLMBKISWXLAFA-UNOMPAQXSA-N 380.444 3.453 30 40 GGEB O=C1C(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)=CO[C@H]2C=CC=C[C@@H]12 17078264 CLYANVQYQSKDFJ-ZONPDTDCSA-N 383.400 3.499 30 40 GGEB COc1cc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)ccc1OCC#N 7779868 UKDXNSHBIVFVBY-YCRREMRBSA-N 377.356 3.266 30 40 GGEB C[C@@H]1C[C@H]2[C@@H]3CC[C@@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 118931936 AQKQDPGSWSFRHL-ZXROEPFJSA-N 378.484 3.005 30 40 GGEB N#Cc1ccc(NC(=O)CCN2CCC(C(=O)Nc3ccccc3)CC2)cc1 12780396 PLJVAVABPVNRST-UHFFFAOYSA-N 376.460 3.238 30 40 GGEB Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C[C@H]2CCCO2)s1 8324329 RWIQZDZUHGIRCF-CYBMUJFWSA-N 391.522 3.046 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccccc1 4736422 IVIJJMUHYFRZFV-LLVKDONJSA-N 386.506 3.410 30 40 GGEB COc1ccccc1N1C(=O)NC(=O)[C@@H](C=Nc2cccc3ccccc23)C1=O 408530236 DOUSKWYJMWIXNM-MRXNPFEDSA-N 387.395 3.450 30 40 GGEB COc1ccc(CN/N=C/c2cc3c(cc2Br)OCO3)cc1OC 20196104 XKJXVIVIMYHKCT-AWQFTUOYSA-N 393.237 3.319 30 40 GGEB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1ccccc1C#N 1097404 HQGJPVHUFDGQCQ-LZYBPNLTSA-N 397.818 3.370 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(F)cc1 19882187 FCZVCRIIUFBHNH-LJQANCHMSA-N 397.450 3.141 30 40 GGEB CC1=C(C(=O)N2CCOCC2)[C@@H](c2cccc(Cl)c2)C2=C(CCCC2=O)N1 20028828 BKGQTOAULNTKFG-LJQANCHMSA-N 386.879 3.167 30 40 GGEB NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2ccc(Cl)c(Cl)c2)C1=O 100006245 FWMNYMLKSYBLLD-KGENOOAVSA-N 392.271 3.251 30 40 GGEB COc1cc(OC)c(NC(=O)ON2C(=O)c3ccccc3C2=O)cc1Cl 1567757 WUKGJSHYOPAVBF-UHFFFAOYSA-N 376.752 3.117 30 40 GGEB C=CCN1C(=O)/C(=C\c2cc(OC)c(OC(C)=O)c(OC)c2)SC1=S 59418078 RLNLXLNENJNBTN-NTEUORMPSA-N 379.459 3.016 30 40 GGEB Cc1nc(SCC(=O)Nc2oc(C)c3c(C)n[nH]c(=O)c23)c(C#N)c(C)c1C 12553909 VISYSHNGZMEMFV-UHFFFAOYSA-N 397.460 3.056 30 40 GGEB CCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O 3251258 UCNRKIGNPMYPKY-UHFFFAOYSA-N 375.222 3.219 30 40 GGEB COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1 12659812 XUUAJBGMSDFLAK-OBGHECQKSA-N 385.504 3.312 30 40 GGEB biogenic CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C)cc1)C1=C(N2)c2ccccc2C1=O 3646435 DDHVSXYBRNPJHR-MRXNPFEDSA-N 385.423 3.030 30 40 GGEB N#Cc1ccc(N2CCC(NC(=O)COc3cccc4cccnc34)CC2)cc1 96003766 LXAGQKPUZKQDQI-UHFFFAOYSA-N 386.455 3.270 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252513873 AMPWPPVNXAQBOG-QKNQBKEWSA-N 383.469 3.316 30 40 GGEB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1N=Cc1ccc2c(c1)OCO2 16431510 ADIGLTQTGZQNJU-UHFFFAOYSA-N 389.323 3.107 30 40 GGEB Cc1ccc(C)c(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)c1 39935334 QVSSNRZLCCKUDY-UHFFFAOYSA-N 376.504 3.322 30 40 GGEB C#CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OCC)c(OCC)c1 40146905 QZAMJQDMTAEQIZ-WYMLVPIESA-N 392.455 3.499 30 40 GGEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100973753 JQDFYTFTHOJDRS-CBFHDUEPSA-N 380.422 3.100 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccnc2)/C1=C(\O)c1ccc(F)cc1 102925927 YHOYDSFJXFNUEL-WOOAAIBNSA-N 389.386 3.238 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 102926867 IJCCKAFMIUYWIN-GHNGSUTGSA-N 375.384 3.313 30 40 GGEB Cc1cc(=O)oc2c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(O)ccc12 722051 XDRJSZPYBMWFCM-FSJBWODESA-N 389.411 3.355 30 40 GGEB C=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N\c1nccs1 100259716 ZBHAAXZXJQVMRF-QVCRAPLNSA-N 382.470 3.280 30 40 GGEB COc1ccccc1/N=C(/C)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1 13399884 COTPPEBGNRIJCC-STZFKDTASA-N 395.912 3.309 30 40 GGEB C=CCNC(=S)N/N=C/c1ccc(OCCOc2cccc(OC)c2)cc1 6182457 VRYVXYJKOBBEDV-PXLXIMEGSA-N 385.489 3.137 30 40 GGEB Cc1ccc(SCCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 5417128 SBLLVGPOLYOUSC-UHFFFAOYSA-N 399.428 3.439 30 40 GGEB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 14469381 VCMJCFBROBLSSS-OAHLLOKOSA-N 384.457 3.198 30 40 GGEB CC(C)c1nc(C#N)c(N/N=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)o1 6754589 MSBSFZCWKICCOW-UFFVCSGVSA-N 399.432 3.023 30 40 GGEB CCc1ccc(C(=O)C2=C(CC(=O)O)C(=O)N(CC(C)C)[C@@H]2SC)cc1 62716439 MZAZJGUIVLXKFG-HXUWFJFHSA-N 375.490 3.390 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/[C@@H]2C=CC(Oc3ccc([N+](=O)[O-])cn3)=CC2)nc1 32189170 XSDAFAVAYZUAOJ-IDTCLIEOSA-N 382.336 3.230 30 40 GGEB CC#CC[C@H](C)[C@@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O 97056262 CTPOHARTNNSRSR-ZCDCQMCOSA-N 398.499 3.286 30 40 GGEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](CCOc4ccccn4)CCO3)C2)c1 575402868 DBDHECRKCQPLJP-KRWDZBQOSA-N 377.444 3.044 30 40 GGEB C=CCn1c(=O)c(C(=O)Nc2nnc(CC(C)C)s2)c(O)c2ccccc21 100512708 IWCDMVLJAKMMSC-UHFFFAOYSA-N 384.461 3.195 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cc(C)ccc21 100875070 NEUGTERYJHDCGG-DQRAZIAOSA-N 396.468 3.411 30 40 GGEB CC(C)[C@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1cn2ccccc2c1C#N 32682316 XGRVSOCTVJNWFR-FQEVSTJZSA-N 393.418 3.448 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc(F)c(F)c2F)s1 32891713 IHCARYWEAYYWDZ-UHFFFAOYSA-N 392.384 3.268 30 40 GGEB C=CCOC(=O)[C@H]1[C@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908787 RXEFEKFVTCJSBE-CDMIOBSGSA-N 384.476 3.197 30 40 GGEB C#CCN(C(=S)Oc1ccc2nccnc2c1)c1ccc(C(=O)OC)cc1 6544727 YQTZGKNMLLLMKR-UHFFFAOYSA-N 377.425 3.220 30 40 GGEB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)[nH]2)c1 7605512 KOLHPOIRWQJOBY-UHFFFAOYSA-N 392.444 3.033 30 40 GGEB Cc1cc(C)cc(-n2ncc3c(=O)n(Cc4cn5ccccc5c4C#N)cnc32)c1 25243994 BLANCGADKDAYPU-UHFFFAOYSA-N 394.438 3.372 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Cl)cc([N+](=O)[O-])c2O)c([N+](=O)[O-])c1 100459757 WVFJMKSVLGXWKR-GIDUJCDVSA-N 381.688 3.216 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 12551663 FPAADGOUIQEZPY-IFXJQAMLSA-N 378.407 3.104 30 40 GGEB CC(C)CNC(=O)c1c(N)n(/N=C/c2ccccc2)c2nc3ccccc3nc12 2253682 TWLQIXAPRLCOOA-DHRITJCHSA-N 386.459 3.435 30 40 GGEB Cc1c(N2CCC(NC(=O)Cc3ccccc3)CC2)cc(C#N)cc1[N+](=O)[O-] 48279115 BPIRBDLPOXZATI-UHFFFAOYSA-N 378.432 3.103 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc(OC)c1 8738633 TZGCTPIOZIUHKB-KRWDZBQOSA-N 387.457 3.372 30 40 GGEB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)C2=O)cc1 408982633 IOPUOTZVUZMNTR-UYRXBGFRSA-N 398.422 3.394 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224788371 SFZFSVHGDKANKH-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB C#CC(C)(C)OC[C@@H](O)C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 226071956 JYXDBVZAONXORJ-FQEVSTJZSA-N 375.489 3.275 30 40 GGEB N#Cc1c(NC(=O)CSc2nc(-c3ccncc3)n[nH]2)sc2c1CCCC2 6133662 OQFOQEFORBIGPC-UHFFFAOYSA-N 396.501 3.409 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(OC)cc2)c2ccccc21 20721626 XCQMTDKVRRZLFD-QHCPKHFHSA-N 398.422 3.139 30 40 GGEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 4312510 LWEOFOADILALGP-QGZVFWFLSA-N 385.803 3.393 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1cccc(Cl)c1 102800214 IEQCXHKUWBBPEP-UYTDBDHRSA-N 375.808 3.391 30 40 GGEB Cc1c(C(=O)/C=C/c2csnn2)nnn1-c1cccc(Br)c1 58179674 PHKGQUMMJCGAKB-AATRIKPKSA-N 376.239 3.086 30 40 GGEB COc1ccc(-c2nc(C#N)c(NC[C@H](c3ccco3)N3CCOCC3)o2)cc1 27795039 KYTSUWRKFCKMIC-GOSISDBHSA-N 394.431 3.300 30 40 GGEB COc1cc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)ccc1OC(F)F 4370870 SPUVBMXHEIDMHE-GFCCVEGCSA-N 396.390 3.185 30 40 GGEB COc1c2c(cc3c1[C@@H](C#CCOc1ccc(F)cc1)[N+](C)(C)CC3)OCO2 8764444 OPABYATVNJSWTD-GOSISDBHSA-N 384.427 3.319 30 40 GGEB biogenic Fc1ccccc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 4402098 GEGVXKVVMHZMQL-PXLXIMEGSA-N 383.475 3.437 30 40 GGEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 40154090 DVFVINARUBJISS-UONOGXRCSA-N 396.413 3.441 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccncc1 102877023 JPMZOBZZCOAZET-GHNGSUTGSA-N 399.878 3.108 30 40 GGEB COc1cc(/C=C/C(=O)[C@@H](C#N)c2nc3ccccc3n2C)cc(OC)c1OC 12603792 DNNQFEITGRSGEE-BOLDSZDNSA-N 391.427 3.489 30 40 GGEB CCNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC)cc2)S1 5035088 YZGKPAHIMSMZGZ-NKWDDMGQSA-N 397.500 3.353 30 40 GGEB C=CCN(CC(=O)N[C@H](C)CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 6786508 QWCDVPZKLLIIPX-LLVKDONJSA-N 379.309 3.085 30 40 GGEB Cc1c(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccn2c1CCC#N 4932964 DXZYKIKANZSQDN-UHFFFAOYSA-N 395.484 3.185 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccn1 5931279 OVWOFPLJIOKSQL-HNNXBMFYSA-N 382.489 3.478 30 40 GGEB O=C(O)c1cc(/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)ccc1O 409097218 NFDLOPOOZOEGMV-SOFYXZRVSA-N 381.138 3.217 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1O 408599636 INQSZFKJJPWOOJ-UHFFFAOYSA-N 391.456 3.439 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2ccccc21 20733470 RBEZKLACUVWXOU-JOCHJYFZSA-N 386.386 3.269 30 40 GGEB COC(=O)/C=C1\S/C(=N/Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C1=O 36625081 GZPXMJTYLCPFTI-AHHCQKMLSA-N 398.400 3.115 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(O)cc3)C(=O)[C@H]12 59484510 ASNXJWKMSBJPMJ-LQDNNDEMSA-N 395.414 3.142 30 40 GGEB biogenic CC/N=C1/S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC 5705701 MQNDRSWZOKKFBT-FUYOWACXSA-N 384.299 3.118 30 40 GGEB CCOC(=O)/C(=N/Nc1ccccc1)Sc1nnnn1-c1ccc(C)cc1 1297559 IMVCADNWVXAQDC-SILNSSARSA-N 382.449 3.052 30 40 GGEB CC(C)[C@@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccs1 40131605 YSFYIPNQESHSQN-GOSISDBHSA-N 376.503 3.048 30 40 GGEB COc1cc(/C=N/N=c2/sc3ccccc3n2C)cc(OC)c1OC(C)=O 2630321 FHCREWZXGUBUHH-UCLIPEMJSA-N 385.445 3.117 30 40 GGEB CCOC(=O)c1ccccc1NC(=O)C[n+]1cc(-c2ccccc2)n2c1CCC2 6942733 HBJGFMRJSRGHEW-UHFFFAOYSA-O 390.463 3.204 30 40 GGEB O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1ccccc1F)c1ccc(Cl)cc1 11914453 XXFFNYHFNLVDPI-KRWDZBQOSA-N 389.810 3.440 30 40 GGEB C#CCN(Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12)[C@H]1CCc2ccccc21 52846215 ZMYXUOIQCNSEJZ-FQEVSTJZSA-N 397.482 3.012 30 40 GGEB Cc1cccc2c(=O)n(CC(=O)Nc3cccc(C#Cc4ccccn4)c3)cnc12 12537084 ZIRBBFRJCWYUJL-UHFFFAOYSA-N 394.434 3.138 30 40 GGEB C=CCn1c(=S)[nH]c2cc(C(=O)N(C)CCOc3ccccc3)ccc2c1=O 12551667 KDGIPJHCWOKABH-UHFFFAOYSA-N 395.484 3.396 30 40 GGEB CCOc1ccc(C(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)cc1OC 4086289 ATUDJUAFRDKTND-LGMDPLHJSA-N 383.444 3.481 30 40 GGEB biogenic CN1C(=O)C[C@H](C(=O)NCCc2ccccc2)S/C1=N\c1cccc(F)c1 4700706 IJANXJWKLHEXKA-HLGQQVFSSA-N 385.464 3.136 30 40 GGEB N#C[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218539500 ISBNIDBREBKGJB-VYDXJSESSA-N 379.796 3.013 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218104434 BCCYQJWVJNWMJZ-DYXWJJEUSA-N 399.468 3.016 30 40 GGEB Cc1noc([C@@H]2CCN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)C2)n1 579742662 BAQYNBCHJSSAJS-WWDZGPRUSA-N 395.463 3.139 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242548625 LPWLGDPEPPTFOT-YQVWRLOYSA-N 389.860 3.353 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(C)cc1 102881384 WAYHKHITUJVNGF-YDJIHCHBSA-N 395.455 3.462 30 40 GGEB COc1ccc2cc(C#N)c(N3CCN(C(=O)c4ccccc4F)CC3)nc2c1 20142958 XLPODFDOKVIFON-UHFFFAOYSA-N 390.418 3.217 30 40 GGEB C=CCOc1ccccc1/C=c1\sc2nc(-c3ccc(F)cc3)nn2c1=O 2396803 QCETZEVOOYCMNX-ATVHPVEESA-N 379.416 3.070 30 40 GGEB O=C1N[C@H](c2cccc(F)c2)C(C(=O)c2ccc(Br)cc2)=C1O 18178765 ZUZUNFREFUYVNW-CQSZACIVSA-N 376.181 3.454 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2O)nc2sc(C)cc2c1=O 5017291 CZMIKTKHKLMWDZ-UHFFFAOYSA-N 387.486 3.389 30 40 GGEB CC[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1nnc2ccccc2c1=O 9025708 OFZKQUHHJYYZLX-INIZCTEOSA-N 393.472 3.193 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)Cn3nnc(-c4ccc(F)cc4)n3)c2C#N)C1 7606931 ANHWTDKSBVQQMA-LLVKDONJSA-N 396.451 3.176 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2cccn2-c2ccc(N(C)C)cc2)cc1 408953912 QOPAGZRFAYZKME-RCCKNPSSSA-N 382.489 3.164 30 40 GGEB C1#CCOCc2ccccc2COCC#CCOCc2ccccc2COC1 3843479 ZWJAMSNFMAUJCH-UHFFFAOYSA-N 376.452 3.474 30 40 GGEB biogenic CCc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3F)CC2)n1 256045792 BAGOAFSBLKSNIL-UHFFFAOYSA-N 376.439 3.167 30 40 GGEB CC(C)n1nc(C(=O)OCc2cn3ccccc3c2C#N)c2ccccc2c1=O 58051155 PUSNHPPDESBXFE-UHFFFAOYSA-N 386.411 3.459 30 40 GGEB N#Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 1093517 UZZIKSGAIKMHCB-SXGWCWSVSA-N 382.217 3.414 30 40 GGEB O=S(=O)(/N=C1/CCCCO1)c1cc(Br)ccc1Br 17377284 OCOPUAPUQKBDPF-KAMYIIQDSA-N 397.088 3.499 30 40 GGEB C[C@H](NC(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 32888375 IMKCPVOSCADLFP-VQTJNVASSA-N 390.531 3.332 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(F)cc2)o1 1019885 LKPXPBWWKRCSIH-QAPCUYQASA-N 385.391 3.484 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1 3361203 DNHFYADUNKIYPO-UHFFFAOYSA-N 380.477 3.089 30 40 GGEB C/N=C1/S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N1C 3769794 FLFAOQAREDOCMY-YBLIXAOFSA-N 382.441 3.496 30 40 GGEB N#Cc1ccc(CSc2nnc(N3CCOCC3)n2-c2ccccc2)cc1 6831356 XQFLFVYWJHNWAS-UHFFFAOYSA-N 377.473 3.268 30 40 GGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5900975 ZUJURTZWNRLNSG-GRSHGNNSSA-N 384.384 3.262 30 40 GGEB biogenic C=CCN(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)c1ccoc1C 7720703 UBUSFVFCGIZRPB-UHFFFAOYSA-N 383.404 3.484 30 40 GGEB N#Cc1cccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 7813852 PBCDXWLZHGBKKU-UHFFFAOYSA-N 384.457 3.420 30 40 GGEB C=CCN1C(=O)N[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)OCC)=C1C 8323734 VXCLEIXVFFVSOA-HNNXBMFYSA-N 379.800 3.338 30 40 GGEB COc1cccc(/C=N\Nc2c(F)c(F)c(F)c(F)c2F)c1OCC(=O)O 408735740 WIRHSGLPXPAPDC-IOMHPIHLSA-N 390.264 3.300 30 40 GGEB C=CCNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409025478 RQVXHOXGWMTFRJ-UHFFFAOYSA-N 399.299 3.491 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 32891727 JELUKAPKCRDJMA-ZDUSSCGKSA-N 392.506 3.406 30 40 GGEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)OCO2 218166336 BELIIZMYMRWROS-ACRUOGEOSA-N 399.468 3.210 30 40 GGEB CCOC(=O)[C@H](C#N)[C@@H](c1ccc(OC)cc1)N1CCN(c2ccccc2)CC1 31659644 JBJKHDDJGFHUBZ-FGZHOGPDSA-N 393.487 3.261 30 40 GGEB CC(C)c1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccccn2)s1 13721321 MEAZGXLBKKUOGZ-AWEZNQCLSA-N 396.428 3.432 30 40 GGEB N#Cc1nc(-c2cccc(F)c2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32124473 OWXCENZWYMLYHR-HIFRSBDPSA-N 376.391 3.138 30 40 GGEB biogenic C=CCNC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 28208649 CLIWBTHKIBDTTE-UHFFFAOYSA-N 384.501 3.063 30 40 GGEB C=CCNC(=O)CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O 14013897 RFDNVWCWWKMONU-UHFFFAOYSA-N 381.863 3.333 30 40 GGEB COc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408741856 ODUAFXRHGRBRKL-IXJMWADBSA-N 387.848 3.115 30 40 GGEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cnc(C)cn2)cc1OC 7735575 CBKNLAXPTLPFQS-GOSISDBHSA-N 397.475 3.180 30 40 GGEB COc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)c(OC)c1 19909822 MSWZWWPCONNCTP-QPJJXVBHSA-N 391.217 3.428 30 40 GGEB Cc1c(C(=O)O)cccc1-c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1 409342438 GEPOMHGLPVNIIT-UHFFFAOYSA-N 389.367 3.251 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 32507200 WIOYGERIOHGROO-NNGLLJABSA-N 394.562 3.341 30 40 GGEB C/C(=N\N)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841537 XKEMNIJCNUTONK-AAEPFUIPSA-N 379.460 3.143 30 40 GGEB CCn1c(Cc2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@@H](CCCN2C2CC2)C1 1121762194 JQDTWZJHDZICSE-FPOVZHCZSA-N 390.535 3.214 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NCc2cccc(OC)c2)cc1 5079510 YJYVITXCXMAUMK-FMIVXFBMSA-N 381.428 3.133 30 40 GGEB C=C[C@H](COC(=O)C(C)(C)OC(C)=O)c1ccc(OC(=O)C(C)C)c(OC)c1 2041400 KTYZMIZSVMYQBQ-OAHLLOKOSA-N 392.448 3.411 30 40 GGEB CC[C@H]1CCCCN1C[C@@H](O)Cn1c2ccccc2n2c(=O)cc(C)c(C#N)c12 12080433 AIYONIJQDRWVHX-ZWKOTPCHSA-N 392.503 3.060 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)cc1 21914542 GHSZGYRWFTXMMF-UHFFFAOYSA-N 396.871 3.216 30 40 GGEB C=CCNC(=O)CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409056861 OSPNYZLAKGUINR-UHFFFAOYSA-N 392.908 3.142 30 40 GGEB COc1ccc(C(=O)NC(=O)CSc2nc3ccccc3n2CCC#N)cc1 6647515 STIKAXWDBBZBNX-UHFFFAOYSA-N 394.456 3.007 30 40 GGEB CCc1nn(Cc2csc(-c3ccc4c(c3)OCO4)n2)c(=O)c(C#N)c1CC 78875535 REBSBVVHLHIQFL-UHFFFAOYSA-N 394.456 3.140 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O 664883 DACPXSKYVDAAEX-WOJGMQOQSA-N 389.411 3.225 30 40 GGEB COc1cc([N+](=O)[O-])cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c1O 13424442 QMXAPCRRKBXBND-AUWJEWJLSA-N 389.364 3.340 30 40 GGEB Cc1cc(Br)cc2c1NC(=O)/C2=N\Nc1ccc([N+](=O)[O-])cc1 8301197 GKOQQQACTWKKDN-UHFFFAOYSA-N 375.182 3.434 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NCCc1csc(-c2cccc(F)c2)n1 4375497 HFLZXVMRYLUBBD-UHFFFAOYSA-N 394.431 3.118 30 40 GGEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1CC 100887887 MRWWXWIFMVLVBF-UWENYHRYSA-N 384.299 3.118 30 40 GGEB Cc1ccc2c(c1Br)/C(=N/Nc1ccccc1[N+](=O)[O-])C(=O)N2 12462637 NRXKTLJODXQASG-UHFFFAOYSA-N 375.182 3.434 30 40 GGEB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)ccc1O 3276322 WTADVJZVWJZJJV-XVNBXDOJSA-N 386.791 3.121 30 40 GGEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccs1 2407526 KIYWLUMQNGETOT-SSDVNMTOSA-N 386.440 3.424 30 40 GGEB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@]12O[C@@H]2c1ccccc1 3652995 TWDKBDSVUUKABK-YKSBVNFPSA-N 395.418 3.396 30 40 GGEB biogenic C=CCCNC(=S)NC(=O)c1cc(I)ccc1Cl 3765140 NBDSWWWYXLNVMJ-UHFFFAOYSA-N 394.665 3.125 30 40 GGEB Cc1c(C#N)c(NC(=O)COc2ccc3c(c2)OCO3)n(-c2cccnc2)c1C 13727521 JJOJPWQXTKDPOS-UHFFFAOYSA-N 390.399 3.107 30 40 GGEB Cc1nn(CC(F)(F)F)c(C)c1[C@H]1COCCN1C(=O)c1sccc1C#N 96002559 VOGQTFUIUUYVTR-CYBMUJFWSA-N 398.410 3.209 30 40 GGEB COc1cccc(/C=N\Nc2ccc(C(F)(F)F)cn2)c1O[C@@H](C)C(=O)O 409237302 JJURCDDHFNFLKA-NDOMIVQYSA-N 383.326 3.407 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218367135 DGFJPNMCYIRXDB-BJLQDIEVSA-N 387.432 3.147 30 40 GGEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225013123 PQHUEUMVZFFMOP-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB N#Cc1cccc(NC(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)c1 1549161406 GZSOOUZZIKBURH-UHFFFAOYSA-N 390.443 3.289 30 40 GGEB Cc1[nH]c(=O)nc(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c1C#N 32776399 LIZDUKDFUVYEIM-LBPRGKRZSA-N 378.457 3.073 30 40 GGEB CCc1cccc(CC)c1N1/C(=N\C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 101317181 OJCSOSPLTTZJRK-VHJGWARJSA-N 394.562 3.069 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)cc1C(F)(F)F 48514180 DGRSYYWBMQXOTC-UHFFFAOYSA-N 396.346 3.205 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1 12929508 XQABHHYCISLVFL-HOTGVXAUSA-N 375.432 3.126 30 40 GGEB CCOc1ccc(-c2nn3c(SCC#N)nc4ccccc4c3nc2=O)cc1 95469511 ZDOREFKORXWQLU-UHFFFAOYSA-N 389.440 3.319 30 40 GGEB CC(C)COc1ccccc1[C@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 72307345 JJGDKHVEKGKTFV-SFHVURJKSA-N 398.507 3.190 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc2c(c1)OCO2 13124075 WVRHGKLBMVEDMG-LJQANCHMSA-N 395.411 3.030 30 40 GGEB CCCCOc1ccc(C(=O)NCC2CCN(c3nccnc3C#N)CC2)cc1 206603250 ZYGLJUZVOACOSY-UHFFFAOYSA-N 393.491 3.174 30 40 GGEB Cc1nn(-c2ccc(F)cc2)c2nc(N)c(C#N)c(-c3ccc(O)c(O)c3)c12 20356428 JQFCZTCGYTUPMF-UHFFFAOYSA-N 375.363 3.400 30 40 GGEB O=C1C(=O)N(CCO)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102880860 QZEMQWZRJSBIRF-IBOXJLQUSA-N 392.238 3.407 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 105464964 GEQAWOZJEYGDBP-XVEWBOHBSA-N 389.521 3.264 30 40 GGEB C=CCn1c(SCC(=O)NC[C@@H]2CCCO2)nnc1-c1ccc(Cl)cc1 6071794 SOSZJZQRTZCPKW-HNNXBMFYSA-N 392.912 3.172 30 40 GGEB CCOC(=O)c1cc(C#N)c(S[C@@H](C(=O)N(C)C)c2ccccc2)nc1C 7503745 JLOPRUCYMZXAQR-QGZVFWFLSA-N 383.473 3.360 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220479169 VJDJACAMIOSJQK-AWEZNQCLSA-N 392.452 3.184 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 2625327 DFCBXGQKJYJDII-KRWDZBQOSA-N 377.901 3.282 30 40 GGEB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc(F)cc3)S2)cc1 12417102 PSJKNWPBTNWWON-BWORXHKJSA-N 387.436 3.424 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1 19973851 UACBWNADNYWJEV-IBGZPJMESA-N 398.459 3.208 30 40 GGEB COC(=O)c1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 4451173 ROHAINIZEJOEFL-YPAWHYETSA-N 397.434 3.464 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCC1(c2ccccc2)CCCC1 12101332 QIZSDWWHPOWJMV-UHFFFAOYSA-N 377.488 3.424 30 40 GGEB C/C(=N/OCO/N=C(\C)c1ccc2c(c1)OCCO2)c1ccc2c(c1)OCCO2 12407040 AYRDDCWDOKRRFB-OQRYGUKSSA-N 398.415 3.368 30 40 GGEB C=CCOc1cccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)c1 16735828 LXROZJNKUIDMAZ-NMYIEGGISA-N 387.464 3.434 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2cccs2)c([N+](=O)[O-])c1 5163363 MXUGGOSZLAGLRG-LFIBNONCSA-N 382.467 3.133 30 40 GGEB COc1ccc(C)cc1C(=O)CCC(=O)OCC(=O)Nc1cccc(C#N)c1 6588946 XZQJUQPAVCZJRQ-UHFFFAOYSA-N 380.400 3.020 30 40 GGEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N\N=C\c2cccc([N+](=O)[O-])c2)cc1 5721103 NLGUWFXQBPUYAE-DEBVBTQESA-N 398.444 3.457 30 40 GGEB Cc1nn(CC(=O)c2cc(C)n(CCc3cccs3)c2C)c(=O)c(C#N)c1C 7384923 SKDDRLSSSQASMR-UHFFFAOYSA-N 394.500 3.337 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc(O)cc2)no1 9359856 KQTKYFBGYMBMHQ-SFHVURJKSA-N 376.368 3.472 30 40 GGEB C=CCNC(=O)CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19831484 JUBRKOYBMNZTOC-UHFFFAOYSA-N 391.515 3.003 30 40 GGEB CN(C)c1cc(N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)nc(N(C)C)n1 19853904 JZNDSYQJZQVCFC-CIAFOILYSA-N 394.435 3.013 30 40 GGEB N#Cc1ccsc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 4276270 HZLMECUUWJAIAM-UHFFFAOYSA-N 389.502 3.437 30 40 GGEB CCN(CC)c1ccc(/C=C2/SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 20133801 BHHGXLAOXYSAMM-KNTRCKAVSA-N 397.548 3.034 30 40 GGEB C=CCSc1nnc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)s1 10414515 CHHMXZLAKDUINQ-UHFFFAOYSA-N 383.882 3.422 30 40 GGEB O=S(=O)(c1ccc(N/N=C/c2c[nH]c3ccccc23)nc1)N1CCCCC1 21322653 NITLUZBRSXACGN-LPYMAVHISA-N 383.477 3.184 30 40 GGEB N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1 2632364 ISBZROANQQHXJO-UHFFFAOYSA-N 384.442 3.068 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 2619490 FIUMOQHUOUOMLG-IBGZPJMESA-N 394.471 3.066 30 40 GGEB C=CCOc1ccccc1/C=c1\sc2nc(-c3ccccc3C)nn2c1=O 2323255 XQBRTSCEVALHKK-AQTBWJFISA-N 375.453 3.239 30 40 GGEB C/C(=C\C(=O)c1ccc(Cl)cc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 6652320 YYBSXCZLQFODFH-OZRFXKHVSA-N 390.823 3.019 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503501 SKKSZAPTZJXDMI-QGGALKJISA-N 394.562 3.458 30 40 GGEB CN(C)c1cc(C#N)cc(C(=O)N2C[C@@H](CO)[C@H](c3ccc(Cl)cc3)C2)c1 585139788 DCEPRENOPURCSH-PXNSSMCTSA-N 383.879 3.126 30 40 GGEB C=CCNc1nc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)cs1 5040270 QLSVBGLKBPPENB-MRVPVSSYSA-N 385.367 3.342 30 40 GGEB C=CCOc1c(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cccc1OC 19291464 CEBMZQGRHNZBEB-VSOVRNOCSA-N 383.492 3.008 30 40 GGEB CC(=O)N1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C#N)C1 4303085 GUPJBBNSOMRCGW-UHFFFAOYSA-N 382.470 3.386 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 102622934 CXWWLUXKAYVNGC-GHNGSUTGSA-N 384.863 3.323 30 40 GGEB COc1ccc(CN2CCC(NC(=O)Nc3ccc(C#N)cc3)CC2)cc1F 47333835 APUDHSZEYZGBJX-UHFFFAOYSA-N 382.439 3.492 30 40 GGEB CC(C)c1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@H]2CS(=O)(=O)C[C@@H]21 101316564 JLYIJNVEPBUBOX-VFAFWLKOSA-N 394.562 3.458 30 40 GGEB C=CCn1c(SCC(=O)N(C)C)nc2sc3c(c2c1=O)CCCCC3 1465516 GKXFAYXFVUWJRJ-UHFFFAOYSA-N 377.535 3.093 30 40 GGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 5307865 AWKMZYPIZNFTQX-IBGZPJMESA-N 386.791 3.241 30 40 GGEB CN(CC(=O)Nc1sc2c(c1C#N)CCC2)Cc1cnn(-c2ccccc2)c1 9516386 IRYXOJRUIQXWJE-UHFFFAOYSA-N 391.500 3.365 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1cccc(F)c1)c1ccc2c(c1)OCCO2 84372177 GPXPSWZADFAVOP-LSDHHAIUSA-N 377.393 3.046 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OCC#N)cc1 408794527 IUZZALMJIUWMBX-LJQANCHMSA-N 386.407 3.330 30 40 GGEB Cc1ccccc1NC(=O)NCCNc1nc2cc3c(cc2cc1C#N)OCO3 35292113 SOGPKJUQRHEXTO-UHFFFAOYSA-N 389.415 3.377 30 40 GGEB N#Cc1cc(NC(=O)N2CCN3C(=O)CC[C@@H]3C2)ccc1Oc1ccccc1 548341398 CKMCVJLSAOQKDL-QGZVFWFLSA-N 376.416 3.189 30 40 GGEB CC(C)(C)/C(CC(=O)CCC(=O)Nc1ccc(Cl)cc1)=N\NC(N)=S 5811498 YTLRSAJPGCKUHX-STZFKDTASA-N 382.917 3.253 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCCCCC3)c(=O)c21 12113538 QLHGTMPUEDBVRL-UHFFFAOYSA-N 384.505 3.310 30 40 GGEB COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@H]1c1ccc(C#N)cc1 12557376 MPWKHQBCNUTDHF-IBGZPJMESA-N 393.468 3.450 30 40 GGEB CC/C(Cl)=N\OC(=O)N(C)c1ccc([C@](O)(C(=O)OC)C(F)(F)F)cc1 100157218 MDTYFCDFLGRRFZ-HXJASHHUSA-N 396.749 3.145 30 40 GGEB C=CCn1c(COc2ccccc2-c2ccccc2)nnc1SCC(N)=O 2619536 BWYTTYMHKIJMIR-UHFFFAOYSA-N 380.473 3.288 30 40 GGEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccccn2)s1 102736520 BCDKOKJMEBXZGZ-MRPLLJTBSA-N 396.428 3.276 30 40 GGEB CN(C)c1ccc(C(=O)NCC#Cc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 22476614 YVXMJHSSQVUJLK-UHFFFAOYSA-N 391.349 3.461 30 40 GGEB NC(=O)Cn1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c2ccccc21 107953773 WIYAKXLWGAZCQM-MFOYZWKCSA-N 394.431 3.157 30 40 GGEB COc1cc(C#N)cc(Cl)c1OC(=O)CCCn1cnc2ccccc2c1=O 24697707 GDZZQFCARYUIRN-UHFFFAOYSA-N 397.818 3.316 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(Cl)cc2)N=C1SCC(=O)NCCC 2184462 PGAXBHAXIACTEC-RVDMUPIBSA-N 377.897 3.325 30 40 GGEB N#Cc1ccc(NC(=O)CCN2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 12737427 KHQWXPXCPYEWNQ-GOSISDBHSA-N 376.460 3.238 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 13206749 UMNYHZQIEBZCBN-SFHVURJKSA-N 375.384 3.469 30 40 GGEB COc1ccc(OC)c(CC(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)c1 4089357 DHHHSXMNMGTFBI-UNOMPAQXSA-N 383.444 3.019 30 40 GGEB biogenic Cc1ccc(-n2c(N)c(C#N)c3nc4cc([N+](=O)[O-])c([N+](=O)[O-])cc4nc32)cc1 9144884 DEQKLUNTYRCPNJ-UHFFFAOYSA-N 389.331 3.152 30 40 GGEB CC1=NOC(=O)/C1=C/c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 409093271 ZRUFSKGXOPNNRB-MHWRWJLKSA-N 377.805 3.424 30 40 GGEB CC(C)[C@@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N1CCc2ccccc21 84409003 UPUCQVKHUIQYLA-QGZVFWFLSA-N 377.473 3.113 30 40 GGEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225080518 PDZFWZZPTIGRQL-UHFFFAOYSA-N 376.390 3.013 30 40 GGEB N#Cc1ccc(C(=O)N(CCO)Cc2cc(Br)ccc2F)cc1 58304579 YKKRTXLGJJRDEE-UHFFFAOYSA-N 377.213 3.095 30 40 GGEB C=CCN/C(S)=N/N=C\c1cc(Br)c(O)c(Br)c1 12363490 ZONGLHLNLSZLHG-UUASQNMZSA-N 393.104 3.313 30 40 GGEB Cc1ccc(OCC(=O)/N=C2\SCCN2C(=O)COc2ccc(C)cc2)cc1 17081484 PZZRPPBTEPINRM-DQRAZIAOSA-N 398.484 3.219 30 40 GGEB C=CCCN1C(=O)N(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc21 1889006988 SQOLQTXIYKWDCK-UHFFFAOYSA-N 388.445 3.415 30 40 GGEB COc1cccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)c1 100418335 FQPKTZWQTAJCCH-MAUKXSAKSA-N 390.439 3.171 30 40 GGEB C=CCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(CC)c3)C2)s1 24829413 BSWZAPNRXLYRCC-ZDUSSCGKSA-N 388.518 3.370 30 40 GGEB CCC(=O)N1CCN(c2ccc(/N=C/c3cc(C)cc([N+](=O)[O-])c3O)cc2)CC1 4121776 AJVJYOPEEGBJMR-HYARGMPZSA-N 396.447 3.418 30 40 GGEB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3C#N)n2)cc1 6141775 OWIUYKHXXGQKHN-LBPRGKRZSA-N 379.445 3.471 30 40 GGEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C1 8557075 HLAYHTPECNCXFN-VIFPVBQESA-N 390.538 3.202 30 40 GGEB Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)CC#N)cc3)C[C@@H]2C)c1 6509734 VFDSHLJKMKMHPF-KRWDZBQOSA-N 376.460 3.198 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc(Br)c1 4716197 ZMKYZGSSWADITC-AWEZNQCLSA-N 375.226 3.059 30 40 GGEB O=[N+]([O-])c1ccc(/C(C[C@H](n2cncn2)C(Cl)(Cl)Cl)=N\O)cc1 4843979 WIOPWSABOCJBPU-TZQXVGBESA-N 378.603 3.366 30 40 GGEB C=CCN1C(=O)[C@@](O)(c2sc(N)nc2-c2ccc(F)c(F)c2)c2ccccc21 6820560 RYSFNAFYNDVOPH-FQEVSTJZSA-N 399.422 3.439 30 40 GGEB C=CCn1c(SC[C@H](O)COc2ccccc2F)nnc1-c1ccncc1 7198986 IJOOZQPMVMGTBP-OAHLLOKOSA-N 386.452 3.197 30 40 GGEB C=CCNc1nc(C(=O)OCC(=O)c2ccc(OC(F)F)c(OC)c2)cs1 7979266 OWAGSFLAJPAUQN-UHFFFAOYSA-N 398.387 3.391 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 27394483 BJRXMFGBZUCUDW-QGZVFWFLSA-N 391.471 3.211 30 40 GGEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3CC)C2=O)cc1 408885255 YRMQVZZYPOFRHW-JXAWBTAJSA-N 376.412 3.480 30 40 GGEB Cc1ccc(S(=O)(=O)O[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 34496971 SMCDOKNEALHLNF-QGZVFWFLSA-N 375.446 3.111 30 40 GGEB COc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1O[C@@H](C)C(=O)O 409234870 NMWLHAIYYZJXBI-IEMQHYRPSA-N 398.440 3.439 30 40 GGEB COc1cccc(/C(CC(=O)O)=N/CCc2c[nH]c3ccccc23)c1C(=O)O 5479695 WPCPIRGKWXAMTC-OQKWZONESA-N 380.400 3.381 30 40 GGEB C=CCOc1cccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c1 31820361 NEJJGUNXZMGJMJ-OAHLLOKOSA-N 377.404 3.365 30 40 GGEB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 2653935 QBNZEMSQNJJPAG-SFHVURJKSA-N 384.233 3.288 30 40 GGEB N#CCCN(CCC#N)C(=O)CSc1nc2c(n1-c1ccccc1)CCCC2 22558546 VAMRCSUVYSAWIV-UHFFFAOYSA-N 393.516 3.499 30 40 GGEB COc1ccc2c(C)cc(N/N=C/c3ccc(OCC(=O)O)c(OC)c3)nc2c1 34863326 DQYVGUZXQQSKOI-SSDVNMTOSA-N 395.415 3.470 30 40 GGEB O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 6047888 PGKOSPMRVUUUCI-YCRREMRBSA-N 399.468 3.138 30 40 GGEB O=c1c(Br)c(N/N=C/c2ccccc2O)cnn1-c1ccccc1 4342133 BVCFKFBJULOOBX-VXLYETTFSA-N 385.221 3.147 30 40 GGEB C[C@H](CC#N)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 65567557 VWSFCFFGJQPYIE-LLVKDONJSA-N 384.358 3.248 30 40 GGEB CSc1nc2nc(C)c(CCC(=O)OCc3ccc(C#N)cc3)c(C)n2n1 6934924 SDYHPHSVUVJEJQ-UHFFFAOYSA-N 381.461 3.011 30 40 GGEB CCOc1cc2c(cc1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[C@H](C)C2 8272242 XJAZNYQZPLPNQP-HUUCEWRRSA-N 380.444 3.364 30 40 GGEB CCOc1cc(/C=N\N2C(=O)CSC2=S)cc(Br)c1OC 409350590 YPKIKOMYJJMWFS-UUASQNMZSA-N 389.296 3.051 30 40 GGEB CC(C)/N=C1\S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)N1C(C)C 409214412 XKCMPTUIRNTVCJ-UYFQECHFSA-N 394.409 3.298 30 40 GGEB CCOc1ccc2nc(NCCCNC(=O)c3ccncc3)c(C#N)cc2c1 35311776 BYPIRSLFMSIXBM-UHFFFAOYSA-N 375.432 3.132 30 40 GGEB COc1cc(/C=C2\SC(=N)[C@H](c3nccs3)C2=O)ccc1OCC(=O)O 139405922 VLPFPFYWIUMDRO-OXPJSJFTSA-N 390.442 3.033 30 40 GGEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(F)c1 225100872 OVHUOVYJMUYTOZ-UHFFFAOYSA-N 379.409 3.002 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)cc1 575611038 TVHXISRYCARWET-LJQANCHMSA-N 391.452 3.075 30 40 GGEB COc1ccccc1[C@@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1C[C@@H]1CCCO1 795001 KDKAVGSJRVYLBF-SCLBCKFNSA-N 383.400 3.046 30 40 GGEB CCCN1C(=O)/C(=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 6879418 ZBMAXZQBUFNUKF-PTGBLXJZSA-N 392.484 3.346 30 40 GGEB CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(/N=C(\O)c4ccccc4)cc23)CC1 36366659 HLFDAUAPUYEZDM-FQEVSTJZSA-N 392.459 3.177 30 40 GGEB C#CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409366422 RMEYDVNVZWNIFH-UHFFFAOYSA-N 388.210 3.303 30 40 GGEB COc1ccc(-c2c[n+](CC(=O)Nc3cccc(C(C)=O)c3)c3n2CCC3)cc1 13776088 DPKQQKAUWXEURG-UHFFFAOYSA-O 390.463 3.239 30 40 GGEB Cc1csc(C2=C(N)N(CCC3CCN(Cc4ccccc4)CC3)CC2=O)n1 13736658 OHMSMXCJTDXTDS-UHFFFAOYSA-N 396.560 3.266 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1 14098403 YLLGOOKOGOEANH-UHFFFAOYSA-N 389.908 3.108 30 40 GGEB O[C@]1(c2ccccc2F)CS/C(=N/c2cccnc2)N1CCCn1ccnc1 6566746 FDVGSKSEGWLXPE-UNJZAIIMSA-N 397.479 3.389 30 40 GGEB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1 5634433 UVFODMQAKDRRAE-UHFFFAOYSA-N 392.440 3.048 30 40 GGEB N#Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1 7265575 SDGFRYLKYFUWNS-UHFFFAOYSA-N 397.500 3.304 30 40 GGEB Cc1cc(C)cc(N=C2S/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)N2C)c1 408961498 CNFYWKGTKJHMLH-DDOGFQLYSA-N 395.484 3.401 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)cc2)c1 20231584 CNMKKKSAOGOYRW-HXUWFJFHSA-N 394.471 3.144 30 40 GGEB O=C(O)COc1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)cc1 1531383785 QAJZYTUDOMOUES-ZVHZXABRSA-N 399.406 3.409 30 40 GGEB CC(C)C1=CC(=NOS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C=C(C(C)C)C1=O 5481687 XTZUYQJAMBRZCX-UHFFFAOYSA-N 392.433 3.404 30 40 GGEB COc1ccc(/C=C2\Oc3c(CN4CCOCC4)c(O)cc(C)c3C2=O)cc1 20572855 KKAOBDMIKDLFDL-UNOMPAQXSA-N 381.428 3.158 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 4890401 NDLKQHXRTZECQF-OAHLLOKOSA-N 392.912 3.476 30 40 GGEB COc1ccc(NC(=O)CO/N=C(\C)c2ccc3c(c2)OCCO3)cc1Cl 6652673 BHWSXJMESCMYPT-WSDLNYQXSA-N 390.823 3.499 30 40 GGEB C=C(Cl)CS(=O)(=O)NC(=O)c1cc2sc(N(CC)CC)nc2s1 95997329 KDUOXAZMJYHTRS-UHFFFAOYSA-N 393.943 3.016 30 40 GGEB Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1C 409411252 VGQADMRNRYNIQQ-INIZCTEOSA-N 385.489 3.163 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2Cl)c1 223842815 IXWIUMVRPBJJTK-UHFFFAOYSA-N 381.837 3.492 30 40 GGEB C=CCOc1c(Br)cc(CN[C@H](C)C(=O)NCCC)cc1OCC 14157526 FVSYUHCYOCECDO-CYBMUJFWSA-N 399.329 3.417 30 40 GGEB Cc1cc2nnc(SCc3cc(O)n4ncc(C#N)c4n3)n2c2ccccc12 40114211 IBDJDVODBYJCIK-UHFFFAOYSA-N 387.428 3.103 30 40 GGEB CCOC(=O)[C@](O)(c1ccc(N(C)C(=O)O/N=C(\C)Cl)cc1)C(F)(F)F 100681988 KMDSPZIRLHLQBI-UMXKZIAQSA-N 396.749 3.145 30 40 GGEB O=C(OCC#CCSc1nc2ccccc2o1)C1=C[C@H]2C=CC=C[C@@H]2OC1=O 4501874 RMHJXZLPIJHRNZ-PBHICJAKSA-N 393.420 3.061 30 40 GGEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)NCc1ccccc1 6295887 YTVVHJMNSUVVPZ-UHFFFAOYSA-N 394.500 3.452 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2cccc(O)c2)no1 102803789 GXVJJYITPLSJPO-GHNGSUTGSA-N 394.358 3.454 30 40 GGEB COc1cc([C@H]2C3=C(O)CCCC3=Nc3c(C#N)cnn32)cc(OC)c1OC 102836057 QWDAWPDPZMZBCW-SFHVURJKSA-N 380.404 3.452 30 40 GGEB COc1ccc(OCc2nc(C#N)c(N3CCN(c4ccccc4)CC3)o2)cc1 934563 HFAJZARPJVFIIQ-UHFFFAOYSA-N 390.443 3.460 30 40 GGEB O=C(O)c1ccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)cc1 18177936 JWNUQQSRZOROPW-RGVLZGJSSA-N 390.428 3.204 30 40 GGEB C#CCN(Cc1ccco1)C(=O)NC[C@H](c1ccccc1OC)N1CCCC1 68883543 WZDITAMSPWKTES-HXUWFJFHSA-N 381.476 3.270 30 40 GGEB Cc1cc(F)cc2[nH]c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C#N)cc12 95939179 YKMUBQVFFBSPIB-SJCJKPOMSA-N 386.427 3.104 30 40 GGEB COc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408741858 ODUAFXRHGRBRKL-VYXQJKENSA-N 387.848 3.115 30 40 GGEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)c(C)c1 224639247 CKTBACAERGXACP-UHFFFAOYSA-N 375.446 3.172 30 40 GGEB N#Cc1c(F)cccc1NCCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 47705963 BRXGGJQVJPSBBP-UHFFFAOYSA-N 377.763 3.493 30 40 GGEB COc1cccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2C)c1 97759511 WGWDBMPSDCGWMQ-BSBNDGSWSA-N 387.436 3.424 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCCC[C@H]3C)c(=O)c21 12113528 JPDARMQPRKKFNC-CYBMUJFWSA-N 384.505 3.308 30 40 GGEB Cc1nc(N2CCC[C@H](COc3cc(C#N)ccn3)C2)c(C(N)=O)c(C)c1Cl 1888866353 JGOSGOYLAZFHNI-HNNXBMFYSA-N 399.882 3.013 30 40 GGEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1)C1CCCCC1 15894438 ROYVTCJARCSFKX-HYLQGWQCSA-N 396.509 3.007 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)s1 32891692 KQLWXJNXWLGEDY-UHFFFAOYSA-N 396.538 3.297 30 40 GGEB Cc1csc(=O)n1CCCC(=O)NCC#Cc1cccc(C(F)(F)F)c1 32900400 ZHJRTQRMOFBMKG-UHFFFAOYSA-N 382.407 3.185 30 40 GGEB C[C@@H](C#N)OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 23417484 LLFARUYZTYRQTB-JTQLQIEISA-N 382.800 3.349 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(Br)o1 3302526 UBXQAWCALJWUMM-UHFFFAOYSA-N 383.585 3.363 30 40 GGEB C#CCNC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48366014 JMHDEYXNTROMFL-INIZCTEOSA-N 391.500 3.176 30 40 GGEB O=S(=O)(/N=C(\O)Cc1c(F)cccc1Cl)c1cccc2nsnc12 48637340 HDHDYBAPSARJSF-UHFFFAOYSA-N 385.829 3.372 30 40 GGEB C=CCN(C(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2s1 14185607 JHNQGASELNLMLQ-UHFFFAOYSA-N 377.425 3.112 30 40 GGEB CCOc1ccc(C(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1OC 14184398 MSKLVHWBNGYLOQ-IBGZPJMESA-N 397.450 3.256 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccccn1 5931264 OVWOFPLJIOKSQL-OAHLLOKOSA-N 382.489 3.478 30 40 GGEB C#CCOc1ccc(/C=C2\SC(NC(=O)c3ccccc3)=NC2=O)cc1OC 409128412 FIYMJNNSHUZTHE-AQTBWJFISA-N 392.436 3.108 30 40 GGEB COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)cc1OC 408627993 PDOLIQNZNMBTQQ-UHFFFAOYSA-N 375.475 3.381 30 40 GGEB C=CCNS(=O)(=O)c1ccc(OC)c(-c2noc(C3CCCCC3)n2)c1 33013488 FJTVLUXRZTZZBR-UHFFFAOYSA-N 377.466 3.257 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2c(c1)OCCO2 224839941 JGTKQNDIYVUKMA-UHFFFAOYSA-N 390.417 3.056 30 40 GGEB C=CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224338379 GXMYWNBDUVXIKY-UHFFFAOYSA-N 378.881 3.389 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 1063049 NUUKFQABDGDDIR-SFQUDFHCSA-N 380.375 3.053 30 40 GGEB CCOc1ccc(N2C(=O)CS/C2=N\S(=O)(=O)c2ccc(F)cc2)cc1 11859730 JVFXYCGRVCYQBR-ZPHPHTNESA-N 394.449 3.049 30 40 GGEB CCC(=O)N(c1nnc(SCC(=O)Nc2sccc2C#N)s1)C1CC1 7672976 IMJKQONUKPSTSI-UHFFFAOYSA-N 393.519 3.107 30 40 GGEB C=CCN(CC(=O)Nc1cccc(F)c1)S(=O)(=O)c1ccc(OCC)cc1 32957894 GZBLTIVQVAOWIZ-UHFFFAOYSA-N 392.452 3.040 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 102932729 RAJJDHWBWNZERW-JXQDGVRSSA-N 393.439 3.296 30 40 GGEB Cc1ccc(-c2nnc(SCC(=O)N(CCC#N)c3ccccc3)n2N)cc1 5933158 MIQRQAQPDJPLOM-UHFFFAOYSA-N 392.488 3.006 30 40 GGEB C#CCOc1cccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)c1 20721527 HUHLOQORDOCNAU-GOSISDBHSA-N 391.456 3.407 30 40 GGEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45CC4(CC[C@]5(C)[C@H]3CC[C@@]21C)OCCO4 4082426 MVYBSGOPTLEZOA-QTLDOONUSA-N 390.520 3.224 30 40 GGEB biogenic Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N[C@@H](C)CCc1ccccc1 32824525 AJLOTYUKXNNETQ-HNNXBMFYSA-N 375.476 3.288 30 40 GGEB C=CCNc1nc2ccccc2nc1NS(=O)(=O)c1cccc2nsnc12 2604067 UFKDPFDRZIQHJA-UHFFFAOYSA-N 398.473 3.033 30 40 GGEB COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCC(N)=O 100384092 YKFALDUJSXFFKU-AWQFTUOYSA-N 377.238 3.381 30 40 GGEB Cc1nc(-c2ccc(C#N)cc2)n(CN2CCN(c3ccc(F)cc3)CC2)n1 58217972 ITTSWEBSJHKTJC-UHFFFAOYSA-N 376.439 3.044 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(\O)C2C3CC4CC(C3)CC2C4)cc1OC 48492324 GTCMNHAOROYARG-UHFFFAOYSA-N 379.478 3.421 30 40 GGEB O=S(=O)(/N=C(\O)c1ccccc1SC[C@H]1CCCO1)c1cccnc1 48532224 YWGWYOKUXXHMMY-CYBMUJFWSA-N 378.475 3.046 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1O 18197629 IZKIHKBXYDNUHE-CWTRNNRKSA-N 394.456 3.470 30 40 GGEB CCCCNC(=O)N(O)[C@H]1N(/N=C/c2cccnc2)C(=S)SC1(C)C 4795109 ZSWBHMSXAGLURZ-OTGIAGGSSA-N 381.527 3.055 30 40 GGEB CSCC[C@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 9863941 WQKVOACDZUPCJL-GOSISDBHSA-N 394.452 3.019 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1Br 408726174 QLSRLOOAFJTKDP-VSWPHIPMSA-N 385.261 3.289 30 40 GGEB O=C(/C(=C\N1CCCC1)c1nnnn1-c1ccccc1)C(Cl)(Cl)Cl 5280019 KGSHOHPGJMNHLG-ZRDIBKRKSA-N 386.670 3.038 30 40 GGEB C=CCn1c(N2CCC(C(=O)NCc3cccnc3)CC2)nc2ccccc21 12116467 XETBEWIRTCTUII-UHFFFAOYSA-N 375.476 3.150 30 40 GGEB N#Cc1ccc(CN2CCC(COc3ncc(Br)cn3)CC2)cc1 1775995710 FMGBRBCOIBHANA-UHFFFAOYSA-N 387.281 3.402 30 40 GGEB O=C(/C=C/Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cccs1 100790132 ZYAICVQAWKVVEZ-DHZHZOJOSA-N 386.458 3.147 30 40 GGEB CCCOc1ccc(CNC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1 2361847 PGGNAUMJIOHQEJ-HYARGMPZSA-N 387.505 3.491 30 40 GGEB O=S(=O)(/N=C(\O)CSc1ccc2c(c1)OCCO2)c1ccccc1F 48588879 YLGSNFNAFBPDSW-UHFFFAOYSA-N 383.422 3.034 30 40 GGEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12981789 JYQUFFCTWVHOBK-FUHWJXTLSA-N 376.460 3.236 30 40 GGEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1C 6586980 JBHPFOVIPBDYSH-CQSZACIVSA-N 378.461 3.270 30 40 GGEB CCCCNc1ccccc1C(=O)OCc1nc2ccccc2c(=O)n1CC#N 5689630 BHEQWIGJFZSSBS-UHFFFAOYSA-N 390.443 3.489 30 40 GGEB C=C[C@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)O)C1=O 409241063 NCPSQPWLNGPYRC-KRXKXCQESA-N 377.418 3.158 30 40 GGEB C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@H](OCC)C23CCCCC3)c1 97012492 AUTMZSWBNQIYOM-MOPGFXCFSA-N 383.492 3.034 30 40 GGEB CC1CCN(C[C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)Nc2cccc(C#N)c2)CC1 67870777 UFHMQFLMJUITGH-JAXLGGSGSA-N 395.551 3.122 30 40 GGEB biogenic,in-vitro N=C(N/N=C/c1cc(Cl)cc(Cl)c1OCc1ccccc1)N[N+](=O)[O-] 408973708 PNBUQHOCTMKXSH-UFWORHAWSA-N 382.207 3.212 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc(Br)o1 5506954 DWYGWBIBCDDONZ-UHFFFAOYSA-N 399.222 3.091 30 40 GGEB COc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 9763888 HXGVTJXHLMHAEH-SFHVURJKSA-N 376.368 3.466 30 40 GGEB N#Cc1nccnc1N1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 206603074 LNFLVCRUDGEZBU-UHFFFAOYSA-N 390.274 3.301 30 40 GGEB N#Cc1nc(-c2ccccc2)oc1N1CCN(C(=O)c2ccccc2F)CC1 12418222 PVHKJUKRMYDKJQ-UHFFFAOYSA-N 376.391 3.315 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1O 5323216 QTDRNANYOMRBSR-VFNWGFHPSA-N 388.427 3.408 30 40 GGEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 1248729 XUFVTJAZERLTGY-INIZCTEOSA-N 387.233 3.329 30 40 GGEB C=CC[C@@]12C=C(OC)C(=O)[C@@H](C1=O)[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 102227431 OKURGHZJDGLSIP-QZCOKETMSA-N 386.444 3.307 30 40 GGEB biogenic COc1ccc(C=Nn2c(S)nnc2CCn2c(C)nc3ccccc32)cc1 4235712 LAIUXVAETAAFNZ-UHFFFAOYSA-N 392.488 3.358 30 40 GGEB COc1cc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2F)cc(OC)c1C 58404676 KITSILDTQLZLKY-UHFFFAOYSA-N 387.816 3.498 30 40 GGEB Cn1c2ccccc2c2nnc(N/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)nc21 38180557 BNSVGSMZNIMFIR-UFWORHAWSA-N 397.782 3.230 30 40 GGEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2sc3c(c2C#N)CCN(C)C3)c1O 4150649 BPIVKRQCCFBAFS-AWQFTUOYSA-N 386.433 3.371 30 40 GGEB N#C[C@@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 8718026 IAQJVDOIAZPKIE-RXVVDRJESA-N 392.463 3.289 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(C#N)cc2)c([N+](=O)[O-])c1 5347355 VDUNDEJFOZARGS-UHFFFAOYSA-N 389.433 3.076 30 40 GGEB Nc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200618 YHBZDJJXOOEOFL-GTNSWQLSSA-N 381.436 3.477 30 40 GGEB COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)cc1 4897908 KUDGLNNBGFRKFY-UNEBPCJRSA-N 399.472 3.294 30 40 GGEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1O[C@@H](C)C(=O)O 409020899 VKABZGFRNVYSOC-NDOMIVQYSA-N 383.326 3.407 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)c(O)c(OC)c1 19855056 AWRDPPOFOQSLSL-MRXNPFEDSA-N 377.824 3.195 30 40 GGEB biogenic,in-vitro COc1cc(Br)c(/C=N/Nc2ncccc2[N+](=O)[O-])cc1OC 409108155 VIONLFIJFYNUAP-CAOOACKPSA-N 381.186 3.216 30 40 GGEB C=CCn1cc(CN2CCc3nc(N4CCCC4)[nH]c(=O)c3C2)c2ccccc21 19016171 KBPMQBCJUFZKHY-UHFFFAOYSA-N 389.503 3.069 30 40 GGEB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)cc1 19929331 KVROKWIIYZPYSB-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB CNC(=S)N/N=C/c1cn(CCOc2ccccc2OC)c2ccccc12 8691769 AJVHCGUBAYKZNF-LPYMAVHISA-N 382.489 3.157 30 40 GGEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2n[nH]c3ccccc23)nc1C 12773802 OHZZHWICZHBVGS-UHFFFAOYSA-N 397.489 3.313 30 40 GGEB COc1cc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 9225539 OPTNWEHEYMZDKQ-CWTRNNRKSA-N 378.388 3.001 30 40 GGEB CC(C)c1ccc([C@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1 18201163 ILGLMCJUDMNNHJ-INIZCTEOSA-N 385.423 3.352 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1cccs1 6812706 LNUDZIDFQAZMHY-GHNGSUTGSA-N 396.468 3.478 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccccc2F)cc1 19904234 NTIDWGLOWFXHML-SFHVURJKSA-N 383.375 3.187 30 40 GGEB C=CCN(C(=O)c1cnc2c(c1)nnn2C)c1nc(-c2ccccc2)cs1 95468570 IZXGLCVOFONVMX-UHFFFAOYSA-N 376.445 3.320 30 40 GGEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224214185 WXICQSCOBKXAFO-UHFFFAOYSA-N 378.881 3.389 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 602917475 DCWFJQCBWNSOSB-LCXNZCCVSA-N 381.879 3.342 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 13711644 VGEFRMDGVOGZFB-IBGZPJMESA-N 388.489 3.435 30 40 GGEB C[C@H]1CN(c2nc3c(cc2C#N)COCC3)CCN1Cc1ccc(F)cc1F 2086938275 KFEGNJAYYBFNNH-AWEZNQCLSA-N 384.430 3.015 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccc(F)cc2)sc2cc(S(C)(=O)=O)ccc21 100874449 NKNBNMSYCSWIAA-ZZEZOPTASA-N 390.461 3.173 30 40 GGEB C#CCOc1ccc(Br)cc1/C=N/NC(=S)NCc1ccco1 2669134 QXZZZPNJYXCTKF-VXLYETTFSA-N 392.278 3.052 30 40 GGEB COc1cc(/C=N/n2c(C)nnc2S)ccc1OCc1ccc2c(c1)OCO2 408855210 DHLYWFQXZNEWMX-AWQFTUOYSA-N 398.444 3.074 30 40 GGEB COc1ccc(CN(C)CC(=O)Nc2sc3c(c2C#N)CCC3)cc1OC 3585724 STZQJNATKBWMBH-UHFFFAOYSA-N 385.489 3.196 30 40 GGEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN(C)[C@H]1CC[C@H](SC)C1 78947779 GHYZKCIWDWKHJK-IRXDYDNUSA-N 392.569 3.168 30 40 GGEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N[C@@H](C)c1ccc(F)cc1 7564510 SWRZIZQBPLYBFR-KBPBESRZSA-N 397.406 3.101 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1Cl 408812839 XITNLFCMHQPIAT-XNTDXEJSSA-N 398.802 3.277 30 40 GGEB COc1ccc([C@@H](CC(=O)OCc2cn3ccccc3c2C#N)NC(C)=O)cc1 32898905 ULKCAOZTZMXPCT-HXUWFJFHSA-N 391.427 3.130 30 40 GGEB CCOc1ccccc1/C=N\N1CCN(/N=C\c2ccccc2OCC)CC1 4990742 BJVRABABNAJECB-BOYKQRMESA-N 380.492 3.470 30 40 GGEB C=CCO[C@@H]1C[C@H]2C(=O)Nc3ccc(-c4ccc(F)cc4F)cc3C(=O)N2C1 8297216 XYBDKSCEFBITMQ-KUHUBIRLSA-N 384.382 3.370 30 40 GGEB biogenic,in-vitro COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1cccc(Cl)c1 102798566 AZBWFXYFRSVUGO-IDTYTIONSA-N 377.849 3.470 30 40 GGEB CC(C)Oc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(OC(C)C)c1 101021024 RSNUGYUYTARSKV-JVWAJVAJSA-N 382.460 3.402 30 40 GGEB C/C(NCCNc1c(F)c(F)c(CO)c(F)c1F)=C1/C(=O)C[C@@H]2[C@@H]1C2(C)C 105911557 GRAGAGPVWPFWNF-HMAPOPOTSA-N 386.389 3.256 30 40 GGEB C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccc(C(=O)O)cc1 101153913 HJXUSPHVWHKCNS-VAWYXSNFSA-N 378.384 3.141 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1CCCC[C@H]1C(F)(F)F)c1ccc2c(c1)OCCO2 48470412 CRPUNHYXCPZDOF-VXGBXAGGSA-N 393.383 3.472 30 40 GGEB CC1=NN(c2ccccc2)C(=N)/C1=N/Nc1c(C)n(C)n(-c2ccccc2)c1=O 111912627 PHMXSNKGNHIQEL-XKRSUARMSA-N 387.447 3.126 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccncc1 5931251 IXJBBGCBIDQHBK-CQSZACIVSA-N 382.489 3.478 30 40 GGEB COc1cc(C#N)cc(Cl)c1OC(=O)c1ccc(N2C(=O)CCC2=O)cc1 24042691 FHXKTJATFMYFNF-UHFFFAOYSA-N 384.775 3.093 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 218307784 XGVOGDOBYHSHFX-UHFFFAOYSA-N 388.489 3.219 30 40 GGEB C=CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)COc1ccccc1Cl 222723672 YJAJXUHDJWTPSW-MRXNPFEDSA-N 386.879 3.438 30 40 GGEB N#Cc1ccc(N2Cc3ccccc3C3(CCN(c4cnccn4)CC3)C2)nc1 96242561 FHEAADRSBRXHAE-UHFFFAOYSA-N 382.471 3.302 30 40 GGEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[C@@H]2CCS(=O)(=O)C2)cc1 1243336 SVBCBCVIHQORQP-PPRFWAEMSA-N 379.485 3.454 30 40 GGEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1ccc(O)cc1 19087884 MABCNWUERFEOEW-FQEVSTJZSA-N 376.412 3.401 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 20229940 GQKYUWQLUGQTSE-LJQANCHMSA-N 379.460 3.002 30 40 GGEB Cc1[nH]c(=O)nc(SCC(=O)Nc2ccccc2-c2ccccc2)c1C#N 32776381 BFDFCJHJQNXKKS-UHFFFAOYSA-N 376.441 3.348 30 40 GGEB CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@@H]2C[C@H]1O 3871706 CTPOHARTNNSRSR-OMNYIODOSA-N 398.499 3.286 30 40 GGEB in-man CCn1cc(C(=O)O)c(=O)c2cc(F)c(N/N=C/c3ccc([N+](=O)[O-])cc3)cc21 4311219 JFHNVOKTNLQAHR-ZVBGSRNCSA-N 398.350 3.213 30 40 GGEB Cc1c(C#N)c(NC(=O)CSc2nnnn2C2CC2)n(-c2ccccc2)c1C 8707752 SAUAWLJNKHFIJK-UHFFFAOYSA-N 393.476 3.018 30 40 GGEB O=C1CCCC2=C1[C@@H](c1cccs1)c1c([nH]c(N3CCCCC3)nc1=O)N2 22607095 VXAZWKFSGVXRQQ-MRXNPFEDSA-N 382.489 3.386 30 40 GGEB N#Cc1ccc(OCCN(c2nccs2)S(=O)(=O)c2ccccc2)cc1 19424776 WOMCDFJUQRKESN-UHFFFAOYSA-N 385.470 3.289 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccco1 85409864 KPNDBNLNLSHMHB-AWEZNQCLSA-N 397.368 3.427 30 40 GGEB C[C@@H]1CCCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)C1 1354944 FKLPXYWPKNCWRZ-CYBMUJFWSA-N 383.473 3.228 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N 848859 WLKNWVQEAWYUDX-PMACEKPBSA-N 387.399 3.376 30 40 GGEB N#Cc1ccccc1OCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8156798 DUJNVDAHEJMALF-SFHVURJKSA-N 378.428 3.462 30 40 GGEB COc1ccc2nc(/C=C3\C(=O)c4ccccc4S(=O)(=O)N3C)ccc2c1 13691391 NXOZHAXWNNNQRM-LDADJPATSA-N 380.425 3.101 30 40 GGEB CCOc1cc(Br)c(/C=C2\C(=O)N(CCC#N)N=C2C)cc1OC 4614444 HSBHRSSXXINLER-JYRVWZFOSA-N 392.253 3.372 30 40 GGEB COc1ccc(/C=N/OCC(=O)OCC(=O)c2ccc3c(c2)CCCC3)cc1 7806349 RGKBPNYMZVOLDG-YDZHTSKRSA-N 381.428 3.351 30 40 GGEB O=c1c2ccccc2nc(O)n1N=Cc1cc(Cl)cc(Br)c1O 409358179 KQRWOLZRVQNJNG-UHFFFAOYSA-N 394.612 3.106 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)cc(C)c1 32505504 HPALDQHZJLUOCH-ZNWLFMFGSA-N 394.562 3.341 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 32634184 AGQNNWBIJPGTAK-KRGDBVFUSA-N 386.926 3.132 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1Cl 4986769 PKIQZFCTUFXIAH-IPURGOFSSA-N 382.243 3.249 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccnc1 2703958 DBWBIEWGVQOCOS-GOSISDBHSA-N 378.384 3.053 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2cccs2)/C1=C(\O)c1ccccc1 102877474 CPEHGWGALIZBBU-SELCWUDQSA-N 393.468 3.457 30 40 GGEB CC1(C)Cc2c(C#N)c(NCCN3CCOCC3)nc(-c3ccccc3)c2CO1 22861907 AIWQLOBEPSVZLX-UHFFFAOYSA-N 392.503 3.216 30 40 GGEB COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2238308 AGLSSNILSSDGRE-CVEARBPZSA-N 382.464 3.195 30 40 GGEB CCOc1cc2c(cc1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)O[C@@H](C)C2 8272263 XJAZNYQZPLPNQP-GJZGRUSLSA-N 380.444 3.364 30 40 GGEB Brc1ccc(OCCOc2ccccc2/C=N/n2cnnc2)cc1 4677033 OYWWRIQEISCAMN-SRZZPIQSSA-N 387.237 3.381 30 40 GGEB Cc1ccc([C@@H]2OCCC[C@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 72307249 ASLVVDNTQJXGRJ-IRLDBZIGSA-N 393.487 3.141 30 40 GGEB C#CC[C@@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 89261527 JODJKHZCAUQZST-JOCHJYFZSA-N 377.488 3.447 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(O)cc2)cc1 9330692 JPJCHPZHTNZQGJ-YCRPNKLZSA-N 388.427 3.408 30 40 GGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(OC)cc1OC 101231802 USDLPAFUMPPIPY-WOOAAIBNSA-N 379.412 3.312 30 40 GGEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Cl)c1Cl)CC(=O)N2 4944274 OUWKLUMPPVUBAH-SECBINFHSA-N 380.256 3.276 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 103298520 GVBOIUVEWRWPRH-XLNRJJMWSA-N 393.415 3.030 30 40 GGEB CN/C(=N/c1cccc(OC)c1)S[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100567288 BQQQUQMIWJTRAE-MRXNPFEDSA-N 387.436 3.107 30 40 GGEB Cc1cccc(N2CCN(C(=O)c3ccc(NC(=O)CC#N)cc3)CC2)c1C 3339803 WKUWHLIZLPUGPW-UHFFFAOYSA-N 376.460 3.118 30 40 GGEB CCn1c(SCC(=O)NC2(C#N)CCCCC2)nnc1-c1ccccc1OC 3406577 OZYBXGKAJQZZSS-UHFFFAOYSA-N 399.520 3.408 30 40 GGEB C=CCN(CC=C)C(=O)Cn1cnc2cc(-c3ccc(OC)cc3)sc2c1=O 14242779 FQIWEGZLEMRXFU-UHFFFAOYSA-N 395.484 3.334 30 40 GGEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O 4689772 LPYRAORKJLPDJG-OVCLIPMQSA-N 381.369 3.409 30 40 GGEB N#Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(F)c1 408628245 RJXOXNLHKYETII-UHFFFAOYSA-N 399.294 3.355 30 40 GGEB CCOCCCNC(=S)NCCCNc1nc2cc(C)cc(C)c2cc1C#N 20151258 SJSIMVYNDAVPRE-UHFFFAOYSA-N 399.564 3.416 30 40 GGEB CN(C)c1ccc(N=C[C@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408533730 KPJTVRLUYFVTKB-INIZCTEOSA-N 384.823 3.008 30 40 GGEB C=CCN(C(=O)CCn1cnc2ccccc2c1=O)c1nc2c(s1)CCCC2 36883805 KBJMXBUAKUOWFA-UHFFFAOYSA-N 394.500 3.341 30 40 GGEB Cc1cc(CN2CCC[C@]3(CCCN3C(=O)c3ccc(C#N)cc3)CC2)n(C)n1 585100653 RWKFZGIMGNPGGX-QHCPKHFHSA-N 391.519 3.261 30 40 GGEB CSc1nc(C(F)F)cc(N2CCN(Cc3ccc(C#N)cc3)CC2)n1 567204043 SVOQULLJTKQKBW-UHFFFAOYSA-N 375.448 3.330 30 40 GGEB COC(=O)C[C@@]1(O)C(=O)C=C(c2ccc(Cl)cc2)N1c1ccc(C(C)=O)cc1 16321937 XGXZLBJLYZFTIB-OAQYLSRUSA-N 399.830 3.225 30 40 GGEB C#CCOc1ccccc1CN1CCC[C@@H](c2cc(N)n3nc(C)cc3n2)C1 19129339 PKQSVAMWIHZJHN-QGZVFWFLSA-N 375.476 3.012 30 40 GGEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccccn3)c2c1 7504491 MXARTCFIQAMBMD-FQEVSTJZSA-N 391.427 3.099 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccc(S(C)(=O)=O)cc2)sc2cccc(F)c21 101042166 MNKPDUPMIOECTH-ZZEZOPTASA-N 390.461 3.173 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2c(F)cccc2Cl)nc1 8165403 QYVBDYJFZBUVGO-RGVLZGJSSA-N 384.864 3.351 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1OC 6238901 COESFOHOKZRGDZ-IBGZPJMESA-N 381.428 3.310 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 104308303 BRDREDWKIYVCOQ-SPPNIPNTSA-N 389.502 3.213 30 40 GGEB NC(=O)C1(N2CCCCC2)CCN(/C(S)=N/c2cccc(Cl)c2)CC1 8691687 NIGXTFMNKGFWAI-UHFFFAOYSA-N 380.945 3.063 30 40 GGEB COc1cc(/C=N/OCc2cc(=O)n3ccc(C)cc3n2)cc(Cl)c1OC 14359771 WPIKKUQOOYFOSK-UFFVCSGVSA-N 387.823 3.224 30 40 GGEB Cc1ccc(/C=C/S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)cc1 96102894 PQHUPJICDQBUPL-GXDHUFHOSA-N 383.473 3.106 30 40 GGEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccccc3)ccc21 9166873 UVDMEGUIFJZTHS-UHFFFAOYSA-N 386.473 3.425 30 40 GGEB C=CCn1c(S[C@H](C)C(N)=O)nc2scc(-c3cccs3)c2c1=O 3472762 PYAHVVAALAVQPW-SECBINFHSA-N 377.516 3.338 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccc(OC(F)F)cc1 8751176 VEXRZSYUNFFFKL-UHFFFAOYSA-N 389.402 3.056 30 40 GGEB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)N(CCC#N)c1ccccc1 3247729 OILHEXXLUMCYHQ-UHFFFAOYSA-N 387.823 3.034 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2c(O)ccc3ccccc23)cc1[N+](=O)[O-] 4699170 MCKHATMIKDNXEW-YBFXNURJSA-N 385.401 3.074 30 40 GGEB CNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 97942928 GMDGDPMNUQLIPP-UHFFFAOYSA-N 377.100 3.471 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1/C=N\Cc1ccccc1 408537813 XJYLCVLMDKMRTO-CEABSUDRSA-N 389.333 3.175 30 40 GGEB CCOc1cc(C(=O)N(C)Cc2cc(C#N)ccc2F)c([N+](=O)[O-])cc1OC 40089147 XRWUCGYNMBWIRG-UHFFFAOYSA-N 387.367 3.285 30 40 GGEB COc1ccc(OCc2ccc(-c3nc(C#N)c(NCCN(C)C)o3)o2)cc1 12418956 QTDGGOVTUIVUCW-UHFFFAOYSA-N 382.420 3.367 30 40 GGEB C=CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O 4076525 ZBLJVHMFXQKUTI-UHFFFAOYSA-N 381.413 3.466 30 40 GGEB N#CCCN(C(=O)COC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 2635657 IODREJPKLWOMMP-UHFFFAOYSA-N 378.215 3.492 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(OC)c21 100909925 RMRIKMOTKFGRPD-MRCUWXFGSA-N 382.441 3.103 30 40 GGEB Cc1cccc(NC(=O)CN2CCN(Cc3cc(C#N)ccc3F)CC2)c1C 22834931 WRCGZDTUVZKJMS-UHFFFAOYSA-N 380.467 3.071 30 40 GGEB N#Cc1c(CCCCCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)n[nH]c1N 12580364 ZGKRUYZXRPKOGV-UHFFFAOYSA-N 399.454 3.218 30 40 GGEB CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(C#N)cc2)c1 11327167 FRLSNJJUFUYIJW-UHFFFAOYSA-N 378.837 3.118 30 40 GGEB C=CCn1cc(Br)c(NC(=O)c2cccc(N3CCOC3=O)c2)n1 95993540 SCXCIFPRAOTJGP-UHFFFAOYSA-N 391.225 3.041 30 40 GGEB COc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c4c(c3)OCO4)S2)cc1 408961258 LWRKYYYTFPUYLU-CXUHLZMHSA-N 384.413 3.324 30 40 GGEB COc1ccc(/C(C)=N\NS(=O)(=O)c2ccc(Br)cc2)cc1 32564185 ATNSMTKVEKZTAQ-BOPFTXTBSA-N 383.267 3.160 30 40 GGEB C=CCN(Cc1ccc(C(=O)NCC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224480563 LDCNEKXCEBDWCJ-UHFFFAOYSA-N 392.908 3.467 30 40 GGEB CCOc1ccc(NC(=O)NCC2CCN(c3ncccc3C#N)CC2)cc1 70929519 WPXXUVSFLDOGGP-UHFFFAOYSA-N 379.464 3.390 30 40 GGEB COC(=O)C1CCN([C@@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 8471119 CFALRQZBCFLPRL-ZDUSSCGKSA-N 389.521 3.101 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(O)cc1 6621534 MBOMPKGQVGZXQS-LJQANCHMSA-N 397.427 3.016 30 40 GGEB COc1ccc(/N=C2/S[C@@H](C(=O)O)CC(=O)N2Cc2ccc(F)cc2)cc1 100129365 JOXVGGYOQNXJSI-QQMHEVNUSA-N 388.420 3.441 30 40 GGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N/C3CCCCC3)NC2=O)c([N+](=O)[O-])c1 21133066 IITFWXBRWFKUET-OAHLLOKOSA-N 390.465 3.152 30 40 GGEB Cc1cccc2cc(C#N)c(NCCCNS(=O)(=O)c3ccccc3)nc12 4964378 PTUWJTRPCFCCLL-UHFFFAOYSA-N 380.473 3.195 30 40 GGEB COc1cc(/C=C\C(=O)c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 8612620 LJNRUQHSDLJEHZ-YVMONPNESA-N 384.384 3.451 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@H]1c1ccccc1 102930945 ICWHCLWPPRPHNK-YDJIHCHBSA-N 395.455 3.462 30 40 GGEB O=C1[C@@H]2[C@@H](C(=NS(=O)(=O)c3ccccc3)[C@H]3[C@@H]1[C@H]1C=C[C@H]3C1)[C@H]1C=C[C@H]2C1 104139133 MDJKILPCVPRFTK-NHDDSSNJSA-N 379.481 3.276 30 40 GGEB CCOC(=O)[C@]1(C)/C(=N\Nc2cccc(Cl)c2)C(=O)C(=O)N1c1ccccc1 12412360 QPHUIARYXQDTIZ-MCIDSYJDSA-N 399.834 3.046 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 33936418 WXSWVWBOGLUHQR-XVSDVWIESA-N 397.471 3.171 30 40 GGEB Cc1cc(C)c(NC(=O)CN(C)CCC(=O)Nc2ccccc2C#N)c(C)c1 28896309 MNCNFGWWICBYJB-UHFFFAOYSA-N 378.476 3.383 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C2/C=C(Cl)C(=O)c3ccccc32)cc1[N+](=O)[O-] 102628625 QRAKLKQXUVECOP-CYVLTUHYSA-N 390.804 3.400 30 40 GGEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccccc1Cl 48576682 OMPPDXFFEZHWPO-SOFGYWHQSA-N 379.821 3.470 30 40 GGEB C#Cc1cccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c1 13017502 JWKHDKZQIUVIFD-UHFFFAOYSA-N 396.493 3.460 30 40 GGEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 13723439 OZOKXRILODZWOP-HXUWFJFHSA-N 389.455 3.308 30 40 GGEB C=CCN(CC=C)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccnc1 6107492 XBHRSDDWSFZRPM-UHFFFAOYSA-N 392.484 3.073 30 40 GGEB CN(C)c1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9505015 CNKJRDKGPQLBLN-XOBRGWDASA-N 375.432 3.353 30 40 GGEB COc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1O[C@H](C)C(=O)O 409234869 NMWLHAIYYZJXBI-COOUDCDJSA-N 398.440 3.439 30 40 GGEB C#CCOc1ccc(/C=C2/SC(=O)N(CC#C)C2=O)cc1Br 408917379 SIXYDYMEQTZXRN-GXDHUFHOSA-N 376.231 3.131 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 32506046 RRCHQUSIALGYBU-SVQNHAPJSA-N 380.535 3.095 30 40 GGEB NC(=S)N/N=C\c1cc(Br)ccc1OCCOc1ccccc1 33927663 HXYIRNNOFHMNGD-ODLFYWEKSA-N 394.294 3.074 30 40 GGEB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](O)CC[C@]5(C)[C@H]3CC[C@]12C 123277412 HYPKNITXJMDRAR-SIEGXRNMSA-N 390.520 3.270 30 40 GGEB COc1cccc2sc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)nc12 4583481 XXOTVQAODGEHIR-UHFFFAOYSA-N 378.457 3.139 30 40 GGEB COC(=O)CC/N=C(\O)N1CCc2[nH]cnc2[C@@H]1c1cccc(Cl)c1Cl 31809949 SCHAOIFLADMMHV-INIZCTEOSA-N 397.262 3.141 30 40 GGEB COc1ccccc1C/C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O 36033091 XVQMWUSTINEBKG-BXDFRRGMSA-N 398.459 3.425 30 40 GGEB biogenic C=CCc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc(OC)c1OC 12762152 ZLSSWIDAKVRLDV-UHFFFAOYSA-N 399.472 3.003 30 40 GGEB CCOc1ccc(C[C@H]2S/C(=N/N=C/c3ccc(N(C)C)cc3)NC2=O)cc1 5214324 BCBBFXHPTFDVOM-VZMFNRANSA-N 396.516 3.316 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc(OC)c1 8738632 TZGCTPIOZIUHKB-QGZVFWFLSA-N 387.457 3.372 30 40 GGEB C#CCOc1cc(Br)c(/C=C2/SC(=S)N(C)C2=O)cc1OC 15012104 DSBMTQOKRODOEA-NTUHNPAUSA-N 398.303 3.301 30 40 GGEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@@H]1C 226279040 PGBDHZGWIBXRDV-ZDUSSCGKSA-N 382.382 3.381 30 40 GGEB N#Cc1c(N[N+](=O)c2cnn(-c3ccccc3)c2C#N)cnn1-c1ccccc1 368120044 DIQHMHPMBDEQGT-UHFFFAOYSA-N 381.379 3.239 30 40 GGEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)C1CCCCC1 5307212 ROYVTCJARCSFKX-SKOAFDGASA-N 396.509 3.007 30 40 GGEB COc1cc([C@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 12389738 VXNSQBKIFLWZNY-OAHLLOKOSA-N 386.408 3.014 30 40 GGEB N#Cc1cnn2c(O)cc(CSc3nnc(Nc4cccc(F)c4)s3)nc12 40127702 MBNLYPVPTAXAFQ-UHFFFAOYSA-N 399.436 3.333 30 40 GGEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2cc(C)c(C)cc2[nH]c1=O 883100 LKDPIFMYMTVSIN-QGZVFWFLSA-N 375.428 3.475 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Oc1nc(N)c(C#N)c(N)c1[C@@H]2c1ccc(F)cc1 22134177 OALDZHFAHRIVJP-OAHLLOKOSA-N 378.407 3.424 30 40 GGEB CCOC(=O)c1cnn2c(O)cc(CN(CC)[C@@H](C)c3ccc(C#N)cc3)nc12 103427201 NTBMFRPSKBZROU-AWEZNQCLSA-N 393.447 3.066 30 40 GGEB C=CCN1C(=O)[C@@](NC(=O)C2CCCCC2)(C(F)(F)F)N=C1c1ccccc1 12363498 SOOSMQWRPNVWKY-LJQANCHMSA-N 393.409 3.417 30 40 GGEB C(=C/c1ccco1)\C=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1 1885799 ZJWIWKFXVUPVGK-VCCUMRARSA-N 391.435 3.156 30 40 GGEB Cc1cccc(Nc2nnc(SCC(=O)N(CCC#N)CCC#N)s2)c1 12608088 PRJXOCHBLGGWHR-UHFFFAOYSA-N 386.506 3.338 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2c(O)ccc3ccccc23)nc1 6205276 IWWQJWPTHYCCCK-HYARGMPZSA-N 398.488 3.417 30 40 GGEB CCOC1(OCC)[C@@H](c2ccccc2OC)C(C#N)(C#N)C1(OCC)OCC 4568243 XETJQUFZPCDIRM-SFHVURJKSA-N 388.464 3.365 30 40 GGEB CCn1nnnc1S[C@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8187064 WNQNWDMDBNBUFE-SNVBAGLBSA-N 376.511 3.014 30 40 GGEB CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)c(Br)cc1OC 408929906 PMWBICLBLATASM-YUFDWGCQSA-N 385.283 3.388 30 40 GGEB COc1cc2c(OC(C)=O)c(-c3ccccc3)n(OC(C)=O)c2cc1[N+](=O)[O-] 68606571 ANCMLZQZQRFZDG-UHFFFAOYSA-N 384.344 3.126 30 40 GGEB biogenic C=C1COC(=O)[C@]12C[C@]1(C)[C@@H](C)CC[C@H](OC(=O)/C(C)=C\C)[C@@H]1[C@H]2OC(C)=O 33831254 AVAGQVZSHJYDED-RRIKAWJQSA-N 390.476 3.352 30 40 GGEB biogenic,in-vitro COc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C)cc1OC 102801997 QKNZWUDAXXOHMF-GROYHEBESA-N 387.819 3.409 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2cccs2)cc1 102878656 AUMSWUMVHQBOFD-QVRGASTFSA-N 399.468 3.357 30 40 GGEB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(Cl)ccc2C#N)C1=O 3371108 RMGIMYULAKIRHR-HXUWFJFHSA-N 396.834 3.007 30 40 GGEB CCCCn1c(SCC#N)nc2cc(S(=O)(=O)N(CC)CC)ccc21 20856486 DUILUCCTYRYKCJ-UHFFFAOYSA-N 380.539 3.483 30 40 GGEB COc1ccc(C(=O)OCC#CCSc2nnc(-c3ccncc3)o2)cc1 2373461 YILDQEHHFXXVDB-UHFFFAOYSA-N 381.413 3.093 30 40 GGEB O=S(=O)(/N=C(\O)C1C2CC3CC(C2)CC1C3)c1ccc2c(c1)OCCO2 48461731 KAALTZWOQWOQFS-UHFFFAOYSA-N 377.462 3.175 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H](C)O)[C@@H]2c2ccc(N(C)C)cc2)cc1 4092657 RMICAPWZOKDYBH-FOIQADDNSA-N 394.471 3.020 30 40 GGEB N#C[C@@H](C(=O)CCS(=O)(=O)c1ccccc1Cl)c1nc2ccccc2[nH]1 6134869 UQUQAOFEBNUBHH-LBPRGKRZSA-N 387.848 3.257 30 40 GGEB N#CCOc1ccccc1/C=C1\S/C(=N/c2ccc(C(=O)O)cc2)NC1=O 6829280 PDAITLPUNVBKSU-WJDWOHSUSA-N 379.397 3.179 30 40 GGEB O=S(=O)(/N=C(\O)c1cc2c(s1)CCC2)c1ccc2c(c1)OCCCO2 70040596 NVDHFRZOCWSPPD-UHFFFAOYSA-N 379.459 3.092 30 40 GGEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 408940111 UDYJRBXBJWHOJX-VBKFSLOCSA-N 394.814 3.327 30 40 GGEB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)NC1(C#N)CCCCC1 8229546 QQAPBDABECEANV-GFCCVEGCSA-N 390.900 3.139 30 40 GGEB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CCOc2ccccc2C#N)C1=O 47354303 BRYPUFOZPDIMFC-NRFANRHFSA-N 375.384 3.150 30 40 GGEB COc1cccc(OCc2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1 17227305 UUWUPCVNFIUKEC-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccncc2)/C1=C(\O)c1ccc(F)cc1 102932465 HNJDSWHGSUEGTE-LFVOPCPISA-N 389.386 3.238 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(O)cc2)cc1 9330690 JPJCHPZHTNZQGJ-VFNWGFHPSA-N 388.427 3.408 30 40 GGEB C=CCOc1c(/C=C(/Sc2nnc(C)o2)C(=O)O)cc([N+](=O)[O-])cc1OC 408632097 UWBQVXZYPXDXFF-NTUHNPAUSA-N 393.377 3.077 30 40 GGEB C=CCNC(=O)c1c(N)n(Cc2ccccc2OC)c2nc3ccccc3nc12 2297600 WBFDBIIBKDIKFT-UHFFFAOYSA-N 387.443 3.139 30 40 GGEB CSc1nc(N)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N 2314923 CTWFYCGKNTWPNP-UHFFFAOYSA-N 399.423 3.402 30 40 GGEB O=S(=O)(c1cccc(/N=C/c2ccc(O)c(O)c2O)c1)N1CCCCCC1 5020884 LHURSPOHBUZUQU-DEDYPNTBSA-N 390.461 3.119 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 4292273 PFQKTDFHLRJQAB-HNNXBMFYSA-N 383.473 3.361 30 40 GGEB C=CCc1cc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc(OC)c1OC 8723821 MJMBILDBRMEGDQ-UHFFFAOYSA-N 386.423 3.282 30 40 GGEB CC(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3sccc3C#N)C2=O)cc1 8724331 NPWOVOPZMXDBST-FQEVSTJZSA-N 396.472 3.149 30 40 GGEB Cc1nc(N/N=C/c2cccnc2)sc1C(=O)Nc1cccc([N+](=O)[O-])c1 4746632 ZMVNBDCOMKGJSY-VXLYETTFSA-N 382.405 3.453 30 40 GGEB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1OC(=O)C(F)(F)F 408720698 WVROZSCPDIJTHZ-UHFFFAOYSA-N 388.095 3.219 30 40 GGEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(OC)c(Cl)c2)C1=O 409080117 LKFUXFUXLNSNCP-LCYFTJDESA-N 395.864 3.306 30 40 GGEB N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc([C@H]3CCC(=O)N3)cc2)n1 1515219733 LJZJOYDUCMBSAC-QGZVFWFLSA-N 389.390 3.086 30 40 GGEB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 48264871 FSVZFWKJQMKJDO-WMLDXEAASA-N 393.509 3.015 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C/c2ccccc2I)cc1 5009788 IQETXMVNUVLSAP-MHWRWJLKSA-N 385.226 3.407 30 40 GGEB COc1cc(O)c(/C=N/NC(=S)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 16922615 OUKWFUSKOWXBMF-SRZZPIQSSA-N 389.521 3.176 30 40 GGEB O=C(/C=C/N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Br)cc1 100744916 GERFSKUJBUUGKO-MOIGAOQCSA-N 399.288 3.427 30 40 GGEB biogenic C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(=O)OCC)CC4)[C@H]3C[C@@H]12 20609733 VLIDGLKYDMEAAQ-GPUAKUCWSA-N 390.524 3.075 30 40 GGEB biogenic C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc(C#N)cc1 8394433 IAQFBTATUDIFIY-NSHDSACASA-N 398.879 3.303 30 40 GGEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c(OC)c1OC 12348533 MMUHEKIIUVJNPQ-AWEZNQCLSA-N 399.447 3.342 30 40 GGEB Cc1nn(C(F)F)c(C)c1CC(=O)NCCSCc1ccccc1C#N 58218128 ZOXUZLBANUIPAT-UHFFFAOYSA-N 378.448 3.359 30 40 GGEB Cc1c(O)ccc2c(CN3CCCN(c4ccccc4C#N)CC3)cc(=O)oc12 48375126 KGWYFECYXJPEIW-UHFFFAOYSA-N 389.455 3.391 30 40 GGEB Cc1ccc(C[C@@H]2S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1C 6054345 HONWEICDRPSONI-PBGVMVHZSA-N 382.445 3.376 30 40 GGEB C=CCOc1c(Cl)cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1OCC 13847653 ZBUDMRJWKMYGHJ-WAYWQWQTSA-N 393.783 3.171 30 40 GGEB O=C1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C2=C(CCCC2=O)N1 4487062 VOQYTGWYHDRSMM-VIFPVBQESA-N 386.757 3.441 30 40 GGEB CC(C)c1ccc(N2/C(=N/C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 5321881 VVZYWGFNBGZDDS-SKOAFDGASA-N 394.562 3.458 30 40 GGEB C/C(NCCNc1c(F)c(F)c(CO)c(F)c1F)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C 4955756 GRAGAGPVWPFWNF-JEEBAWPVSA-N 386.389 3.256 30 40 GGEB N#Cc1ccsc1NC(=O)CSc1nnc(NCc2ccco2)s1 7161781 HWPXPIQYHQNQNO-UHFFFAOYSA-N 377.476 3.407 30 40 GGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1ccc([N+](=O)[O-])cc1 22608174 LHBFTEYBAPOMMO-RMLUDKJBSA-N 393.325 3.473 30 40 GGEB Cc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/N=C/c3ccccc3)S2)cc1C 9012025 KHYXBSCJTCPFIF-KKJJZKEWSA-N 380.473 3.254 30 40 GGEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408803919 UTRQAPWMTYPPMN-LFIBNONCSA-N 394.814 3.327 30 40 GGEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(CC)cccc1CC 32508032 FUKUZZQDQMNHOR-BSMWSGRKSA-N 394.562 3.213 30 40 GGEB CCCN1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccc(F)c2)CC1 40002584 JLSNDKIOGAINTP-UHFFFAOYSA-N 397.498 3.071 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225034295 MIUGTFJFCFEFQY-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB C=CCOc1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1OCC 96193557 IUALSVVCKGFBSD-UHFFFAOYSA-N 384.436 3.305 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]13O[C@H]3C[C@H]2c1ccc(=O)oc1 119422189 LFLJTMIVTFTLOA-GVSXYIIBSA-N 398.499 3.437 30 40 GGEB biogenic C=C(C)Cn1nc(C)c(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c1C 12667756 LOPBBZYVSBEEOH-GOSISDBHSA-N 393.539 3.389 30 40 GGEB COc1cccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)c1 102721609 HVPKZQNWJUNXJP-GROYHEBESA-N 380.356 3.211 30 40 GGEB C=CCn1c(N)cc(=O)nc1S[C@@H](C)C(=O)Nc1cccc2ccccc12 798429 IZMUFTKLFCBJMM-ZDUSSCGKSA-N 380.473 3.284 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@@H]1c1ccc(C)cc1 102702689 FVQVJZMNXCEADR-NHFXJNLRSA-N 395.455 3.380 30 40 GGEB C=CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1cccs1 100973091 GYJWVYAATDESFZ-VUAZUDAXSA-N 378.500 3.296 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1c(F)cccc1F 35324006 VCRMHOGKYWSGAY-MRXNPFEDSA-N 377.387 3.455 30 40 GGEB CC(C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 101302177 VVZYWGFNBGZDDS-VFAFWLKOSA-N 394.562 3.458 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1C=Nc1ccccc1F 408531894 HKVKWKPOWQZTKS-LBPRGKRZSA-N 393.296 3.446 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCSc2c(F)cccc21 14236779 WUOGSELPVPUNBM-KRWDZBQOSA-N 385.464 3.288 30 40 GGEB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccc(C#N)cc1 8026963 REKRDLDABXOPIK-UHFFFAOYSA-N 398.532 3.411 30 40 GGEB N#Cc1c(NC(=O)CNc2ccccc2N2CCCC2=O)sc2c1CCC2 9835453 NWPXZMRIJYCVKT-UHFFFAOYSA-N 380.473 3.286 30 40 GGEB Cc1ccn2c(CN3CCN(c4ccc([N+](=O)[O-])cc4C#N)CC3)c(C)nc2c1 96997123 YLQNQMLOFHEBTA-UHFFFAOYSA-N 390.447 3.053 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225034575 HZQFUQWYCBOWCE-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB CCOC(=O)C(C(=O)OCC)c1c(F)c(F)c(C(F)(F)F)c(F)c1F 97439014 IXFGCRRBFPSCTO-UHFFFAOYSA-N 376.224 3.472 30 40 GGEB CNC(=S)N/N=C1\C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 102879371 IZGXBMBWJIJWTR-QNGOZBTKSA-N 393.299 3.338 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)s1 32891726 JELUKAPKCRDJMA-CYBMUJFWSA-N 392.506 3.406 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccc(Cl)cc1 102799209 YDUQOICPILWFMY-IBOXJLQUSA-N 375.808 3.310 30 40 GGEB C[C@H](C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1 52801329 WABOODYLNSTDQR-QGZVFWFLSA-N 394.544 3.105 30 40 GGEB COc1ccc(CN/N=C/c2cccc(I)c2)cc1OC 20195956 JTIZUUZMHABJRP-VCHYOVAHSA-N 396.228 3.432 30 40 GGEB C=CCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 2064952 QWRIAQGQMCPQIF-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB COc1ccc(NC(=S)N/N=C(\C)c2ccc3c(c2)OCCO3)cc1OC 5163973 SSFBIRCWIRBZAH-CIAFOILYSA-N 387.461 3.186 30 40 GGEB O=C(C[C@H]1S/C(=N/c2ccc(F)c(Cl)c2)NC1=O)NCc1ccccc1 7785091 SOTUJHIHUNICIM-OAHLLOKOSA-N 391.855 3.405 30 40 GGEB N#Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 8039980 RHFHMQXNRQCVIF-GOSISDBHSA-N 384.457 3.245 30 40 GGEB CCOC(=O)COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1 409037958 NXZAINDPENIPLO-QPJQQBGISA-N 390.255 3.342 30 40 GGEB C=CCOc1c(CC=C)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 409081112 OQPOCILNBLPZLP-SFQUDFHCSA-N 386.473 3.485 30 40 GGEB O=[N+]([O-])c1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1N1CCOCC1 408930739 BKOKMFUFLKHBOQ-CJLVFECKSA-N 396.447 3.019 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)NC1=S 408901251 COZHCKIPBQHNMX-SFQUDFHCSA-N 396.443 3.217 30 40 GGEB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC#N 408818787 QOWFHDKRPDPIRW-WQLSENKSSA-N 397.250 3.416 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OC)c(OC)c1 224811544 LCPUWHJBLPBNCO-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB N#CCN1CCC[C@@H]1c1cccc(Nc2nc(C(=O)N3CCCC3)cs2)n1 585293353 FIPRBMFBTPJUHI-MRXNPFEDSA-N 382.493 3.178 30 40 GGEB Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccc(F)cc1)O2 20588838 ZVFBULOEHJHCEL-UNOMPAQXSA-N 382.435 3.203 30 40 GGEB Cc1ccc(C)c(OCCO/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 22351706 UYAALBLCIOXQMQ-PXLXIMEGSA-N 399.447 3.478 30 40 GGEB O=S(=O)(/N=C(\O)CCc1ccc(F)cc1)c1ccc2c(c1)OCCCO2 42338726 CXJSNTQIBQSGOX-UHFFFAOYSA-N 379.409 3.265 30 40 GGEB O=C(O)COc1c(Cl)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Cl 408750854 SMZCOVOHSHXCGN-DVZOWYKESA-N 385.163 3.206 30 40 GGEB CCSc1nc2n(n1)[C@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 4436206 GHZZCTUFFVDGLD-QGZVFWFLSA-N 386.477 3.429 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1OC 5427778 QQAUDNVQAPKJPT-ZUOKHONESA-N 392.415 3.304 30 40 GGEB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1ccc(C#N)cc1 7218732 QHBOJIQCYSPILP-UHFFFAOYSA-N 395.278 3.150 30 40 GGEB Cc1ccc(Br)cc1S(=O)(=O)N(CCC#N)CC(F)(F)F 97212738 FTXFITLXNRIWCQ-UHFFFAOYSA-N 385.205 3.224 30 40 GGEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218496768 SXPRGNDNAPWAEL-AOIWGVFYSA-N 389.860 3.437 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225101442 LDRJLVKCSBRRSL-UHFFFAOYSA-N 381.425 3.233 30 40 GGEB N#CCCCCCOCCOCCOCCOCCOCCCCCC#N 5500949 IBWHRQHSXMQIDN-UHFFFAOYSA-N 384.517 3.237 30 40 GGEB CCN(C[C@@H](C)C#N)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 40119501 AHNGVYLNZXBCLU-INIZCTEOSA-N 385.489 3.133 30 40 GGEB CCN(C[C@@H](C)C#N)C(=O)COC(=O)c1cc2cccc(Br)c2o1 51178240 XDOZUOAGDVQUMC-NSHDSACASA-N 393.237 3.360 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1-c1ccc(C(C)(C)C)cc1 2625501 LRRWICKICXGRIA-LBPRGKRZSA-N 387.509 3.104 30 40 GGEB O=C(C[n+]1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1OC(F)F 2657161 WUDLVVXKTZVPRP-UHFFFAOYSA-O 383.374 3.445 30 40 GGEB COC(=O)c1ccc([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 4451171 ROHAINIZEJOEFL-FSSWDIPSSA-N 397.434 3.464 30 40 GGEB N#Cc1ccc(OC(=O)c2ccc3c(c2)S(=O)(=O)N=C2CCCCCN23)cc1 7658177 SXCYNZYLYYVIAL-UHFFFAOYSA-N 395.440 3.259 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2cccs2)cc1 104308335 DSTMZMHKSOTVRM-JZJYNLBNSA-N 391.518 3.132 30 40 GGEB COc1ccccc1NC(=O)COc1ccc(/C=N\O)cc1Br 108988871 FYUJJWHLIKFWRM-NVMNQCDNSA-N 379.210 3.283 30 40 GGEB Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)NC1(C#N)CCCC1 6065987 CNFKJLBSINARPH-UHFFFAOYSA-N 378.856 3.303 30 40 GGEB COC(=O)[C@@H](C)Oc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1OC 4339874 QEPXSKAXSNSZOZ-FGHSJCFPSA-N 384.384 3.260 30 40 GGEB biogenic CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 5445216 SIXQPXICPAANHW-GHNGSUTGSA-N 384.863 3.323 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(O)cc2)cc1 19138162 VVCQSEUUWSLXTE-QUCCMNQESA-N 393.439 3.458 30 40 GGEB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC#N)C2=O)cc1Cl 408986414 CFICWVXSEICUDC-GDNBJRDFSA-N 395.802 3.217 30 40 GGEB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 20237446 BCMKJIUCHNNZSC-UHFFFAOYSA-N 391.880 3.119 30 40 GGEB C#CCN1C(=O)S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O 408917668 ZPAIULGWOVNNDB-QGOAFFKASA-N 392.436 3.374 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl 35290439 QPFOHYNGLLWWIW-UHFFFAOYSA-N 385.880 3.377 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218347751 WKLDVYBFXBQCAH-SVFBPWRDSA-N 383.469 3.262 30 40 GGEB O=C(COc1ccccc1F)NCC#CCOc1cccc(C(F)(F)F)c1 90610462 PQNANCDVFCXTIF-UHFFFAOYSA-N 381.325 3.422 30 40 GGEB C[C@H]1C[C@H](C)CN(C(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)C1 5785296 RHFYGWZRNHQSAS-DZMAACLTSA-N 385.386 3.151 30 40 GGEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 5163553 UWCQDNBEVOVTOU-CPNJWEJPSA-N 390.465 3.062 30 40 GGEB C=CCc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 25305198 RJYKJSUGJDFTRW-QFIPXVFZSA-N 394.515 3.049 30 40 GGEB COc1cccc(/N=C(/C)N(C)CCNS(=O)(=O)c2ccc(Cl)cc2)c1 13399848 URSYVFXHAXNGEX-STZFKDTASA-N 395.912 3.309 30 40 GGEB Cc1c(CCC(=O)Nc2nccs2)c(O)n2c(nc3ccccc32)c1C#N 13655394 BWDQKNHVONWULZ-UHFFFAOYSA-N 377.429 3.401 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1=C(Cl)CCCC1 95947069 SJAXBSWDDWGJLC-UHFFFAOYSA-N 381.885 3.163 30 40 GGEB C=CCN(c1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1)S(C)(=O)=O 223899473 SZBXTMMNHKVZCK-UHFFFAOYSA-N 386.517 3.390 30 40 GGEB CCOC(=O)/C(=C\Nc1cc(C(C)(C)C)sc1C(N)=O)C(=O)C(F)(F)F 100038288 SJXBHQHKDJTWRN-FPLPWBNLSA-N 392.399 3.135 30 40 GGEB C=CCNC(=O)C1(C[C@H]2CC(c3ccccc3)=NO2)CCN(C(=O)C(C)C)CC1 12219994 JXMOECABZVPSJT-LJQANCHMSA-N 397.519 3.137 30 40 GGEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)NCCCOC)ccc1OC 14399106 HVMGMJVHPUTCNE-UHFFFAOYSA-N 382.460 3.442 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1 20131606 NKDFJENFYVQRNQ-HXUWFJFHSA-N 394.471 3.225 30 40 GGEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1Cl 101348574 PKIQZFCTUFXIAH-BXGCZWRVSA-N 382.243 3.249 30 40 GGEB COc1ccccc1N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1 3198537 WMYIHRFMQVLKQH-UHFFFAOYSA-N 388.283 3.177 30 40 GGEB N#Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 12771331 PIEYLLOKPPJVSE-UHFFFAOYSA-N 379.441 3.019 30 40 GGEB CC1CCC2(CC1)NC(N1CCN(c3ccc(Cl)cc3)CC1)=NC(=O)[C@@H]2C#N 20636698 UMNDGXYARCEORQ-GFBDMGBSSA-N 399.926 3.036 30 40 GGEB C=CCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccc(C)cc2)cc1 224699185 OPOKNAYBRKDBLT-UHFFFAOYSA-N 389.473 3.318 30 40 GGEB C=C(C)COc1ccc([C@@H](CC(=O)OC)c2c(O)nc3ccccn3c2=O)cc1 96115479 JUKOHEORAVHSDK-QGZVFWFLSA-N 394.427 3.050 30 40 GGEB biogenic N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCN(c2ccccc2F)CC1 256045833 BEYZBEKQZQOTLH-UHFFFAOYSA-N 382.830 3.258 30 40 GGEB C=CCc1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(OC)c1 32896479 IAPGFRBONPMDDB-UHFFFAOYSA-N 395.503 3.193 30 40 GGEB C[C@@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 32831178 AZQHXPBRXMNQDN-IAGOWNOFSA-N 378.476 3.489 30 40 GGEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)c1 102516808 MLSFESWZALIOAE-LFVOPCPISA-N 390.395 3.305 30 40 GGEB Cc1nc(C)c(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)s1 102740956 SFVKMJYGPDPGSD-UYTDBDHRSA-N 395.440 3.370 30 40 GGEB COc1cc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)ccc1O 18197624 RCIXLYFJZGXGKD-BLVKFPJESA-N 394.456 3.470 30 40 GGEB CC(C)C/N=C(\O)CN1CCN(c2nc(C(F)(F)F)nc3ccccc23)CC1 24717382 CIJBLRIZOGBPBV-UHFFFAOYSA-N 395.429 3.383 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1ccccc1C)C2=O 2219734 QDUSVKGCABWJAQ-STZFKDTASA-N 397.471 3.412 30 40 GGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 5900974 GKHOPXJDOPVNFA-GRSHGNNSSA-N 384.384 3.262 30 40 GGEB biogenic C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408819948 ZNZZTPIUQHCLCV-LFIBNONCSA-N 394.814 3.327 30 40 GGEB COC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cc(Cl)cc(Cl)c1OC 409129297 RNRFJRDQIXEYDS-ZDUSSCGKSA-N 398.242 3.466 30 40 GGEB CCOC(=O)C1=C(C)Nc2ccccc2N=C1/N=C(\O)C1(C#N)CCOCC1 89978392 OKTJIQDEMCHWMS-UHFFFAOYSA-N 382.420 3.256 30 40 GGEB Cc1ccc2cc(C#N)c(NCCNS(=O)(=O)c3ccccc3F)nc2c1C 35291926 RXUUJKLVRKNONW-UHFFFAOYSA-N 398.463 3.253 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220309573 DHPRNACNGMRJHX-CQSZACIVSA-N 392.452 3.184 30 40 GGEB Sc1nnc(-c2n[nH]c3c2CCC3)n1/N=C/c1ccc(Br)cc1 19827506 FMZKGTHGWINMAO-CAOOACKPSA-N 389.282 3.090 30 40 GGEB COc1ccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)cc1OC 22172570 FSVKUFTVQVFXJF-KRWDZBQOSA-N 390.399 3.126 30 40 GGEB CCOc1ccc(N2C(=O)CS/C2=N/S(=O)(=O)c2ccc(F)cc2)cc1 100975239 JVFXYCGRVCYQBR-HTXNQAPBSA-N 394.449 3.049 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 100937071 AEAODYJICOXTLQ-UOOAFGRTSA-N 394.562 3.287 30 40 GGEB C=CCOc1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC 32099421 PAXIWURLARLLNU-PDGQHHTCSA-N 378.428 3.338 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCN(Cc3cccs3)CC2)n1 23761250 MDERXCPXTNOLJA-UHFFFAOYSA-N 386.546 3.068 30 40 GGEB O=C1C(Cl)=C(N[C@H](Cc2c[nH]c3ccccc23)C(=O)O)C(=O)c2ccccc21 3984725 ZKNQSBBALRSDBQ-MRXNPFEDSA-N 394.814 3.283 30 40 GGEB CS/C(=N/S(=O)(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1 18101803 RXWYXPLYWSMJAN-UHFFFAOYSA-N 397.547 3.105 30 40 GGEB C=CCOc1ccccc1[C@@H]1C2=C(Nc3[nH]c(N)nc(=O)c31)c1ccccc1C2=O 4387150 BWVUZAXEULFEBT-MRXNPFEDSA-N 398.422 3.082 30 40 GGEB O=C(C[n+]1nn(-c2ccccc2)c(O)c1C(=O)Nc1ccccc1)c1ccccc1 5274771 BAAVXWRILLDADG-UHFFFAOYSA-O 399.430 3.001 30 40 GGEB CCOc1ccc2c(c1)O/C(=C\c1ccc(OCC(=O)OC)c(OC)c1)C2=O 4478681 IFNOWHXIDZLSOM-GRSHGNNSSA-N 384.384 3.262 30 40 GGEB biogenic C=CCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 4673243 WWPHTRDLTBRCJP-UHFFFAOYSA-N 381.501 3.042 30 40 GGEB N#Cc1cccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCCC3)c2)c1 9721685 GNQAPHUCTJXMCM-UHFFFAOYSA-N 387.436 3.124 30 40 GGEB Cc1c(C)c2ccc(OC/C(O)=N/c3nc([C@H]4CCCO4)n[nH]3)cc2oc1=O 95473062 JTUXFSKJSNLEHB-CQSZACIVSA-N 384.392 3.046 30 40 GGEB CN1CCN(CC#CCOC2CCN(Cc3csc4ccccc34)CC2)CC1 1889128714 ORDPIEMYFANXNP-UHFFFAOYSA-N 397.588 3.133 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 15080748 HWPGKJZZUZNKSV-UZLGTAQGSA-N 394.471 3.489 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1O 5323213 QTDRNANYOMRBSR-QVKFZJNVSA-N 388.427 3.408 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2cc(Cl)c3c(c2)OCCCO3)cc1 40129875 IHBKCGCGIZKZFV-UHFFFAOYSA-N 392.820 3.066 30 40 GGEB CCCCCCC(=O)N(O)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 101055278 CHDRVAGMAVGMPD-AWEZNQCLSA-N 397.269 3.269 30 40 GGEB Cc1nnc(NC(=O)[C@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3)n2)s1 2746380 SGYAVJFQNPZTAY-VIFPVBQESA-N 398.473 3.000 30 40 GGEB N#CCc1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cc1 8125646 ABALFBJGYCVZQI-UHFFFAOYSA-N 383.473 3.180 30 40 GGEB C/N=C1\S/C(=C\c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N1C 2155547 BNCVVNZVBZPQDH-ICSPAVNMSA-N 382.441 3.496 30 40 GGEB N/C(Cc1ccccc1Cl)=N\OCC(=O)Nc1ccc(OC(F)F)cc1 48312095 FMUVJTCPLKHGKL-UHFFFAOYSA-N 383.782 3.411 30 40 GGEB O[C@]1(c2ccccc2)CS/C(=N/c2cccnc2)N1CCCn1ccnc1 13066001 FYXSUWLYOGAVBF-LOKSUBMMSA-N 379.489 3.250 30 40 GGEB CSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1cccc(O)c1 4597323 QUEYCVMJRFJWKH-CQSZACIVSA-N 383.473 3.398 30 40 GGEB O=C(Cn1cc(/C=N/OCc2ccccc2)c2ccccc21)N1CCOCC1 4712304 HAAYVGPGZVCYEL-OEAKJJBVSA-N 377.444 3.051 30 40 GGEB C=CCS[C@]1(Br)NC(C)(C)C[C@]2(C)OC(=O)[C@H](C(C)C)N21 19324874 MLMCNDZVLTUDMQ-TUKIKUTGSA-N 377.348 3.283 30 40 GGEB Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 72307250 ASLVVDNTQJXGRJ-RBBKRZOGSA-N 393.487 3.141 30 40 GGEB CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2ccc(Br)cc2)CC1 95394332 UPPRSMBEPKYPNK-MRXNPFEDSA-N 396.354 3.234 30 40 GGEB N#Cc1cccc(C(=O)N[C@H]2CCc3nc(NCc4ccccc4)ncc3C2)c1 306142167 WRSMVBPHQUBFQM-FQEVSTJZSA-N 383.455 3.248 30 40 GGEB COc1cc(/C=N/NC(N)=S)ccc1Oc1c(F)c(F)c(F)c(F)c1F 408735498 QQOPLDKSTNPGER-RREIPUBJSA-N 391.321 3.350 30 40 GGEB C=CCOc1c(Br)cc(/C=C2/NC(=O)N(CCC)C2=O)cc1OC 409240745 PPWOJSRVQZVDOL-UKTHLTGXSA-N 395.253 3.325 30 40 GGEB N#CCc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cc1 225056120 LEPYTQLNOKSWNL-UHFFFAOYSA-N 380.425 3.186 30 40 GGEB C[C@@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)CC[C@H]1N1CCN(C)CC1 579946182 BUCDTWRTFPLORY-DNVCBOLYSA-N 383.927 3.222 30 40 GGEB COc1ccc(Cl)cc1[C@@H](O)CNC(=O)C1(c2cccc(C#N)c2)CCC1 952994850 VGYDQOGAYPFVPT-SFHVURJKSA-N 384.863 3.492 30 40 GGEB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(C#N)cc1 5430325 FTLWJPGNNFTVBK-UHFFFAOYSA-N 377.473 3.491 30 40 GGEB Cc1ccc(C(=O)N2CCC[C@]3(COCCN(c4cccc(C#N)c4)C3)C2)cn1 1147163542 YCKHZCMTJRUZHZ-HSZRJFAPSA-N 390.487 3.021 30 40 GGEB CC(=O)N(C)C1=C(Sc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O 1722549 MWKNYVNYVDOGIK-UHFFFAOYSA-N 382.397 3.456 30 40 GGEB COC1=N[C@]2(O)C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]32S1 4895970 WOKYKYYRLSDRHQ-CKBUFISISA-N 391.533 3.050 30 40 GGEB C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CCN(CC)C4)c2C)c1 69564872 IHSCKWXLUDPTHM-UHFFFAOYSA-N 385.471 3.187 30 40 GGEB COc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1OC 4090186 WQQJUEHQRDLBOL-LGMDPLHJSA-N 381.428 3.235 30 40 GGEB biogenic N#Cc1ccc(OCC(=O)Nc2cccc(I)c2)cc1 6285066 QSPNMLIIRDOHOE-UHFFFAOYSA-N 378.169 3.180 30 40 GGEB COC(=O)c1ccc(/C=C2\C(=O)c3ccccc3S(=O)(=O)N2C(C)C)cc1 9546936 PQCGFSAGPAJMLW-SFQUDFHCSA-N 385.441 3.110 30 40 GGEB C[C@@](C#N)(NC(=O)CN(Cc1ccccc1)C[C@H](O)c1ccsc1)C1CC1 79093029 DXYZCBVSFQNDGQ-FPOVZHCZSA-N 383.517 3.092 30 40 GGEB Cc1cc(Cl)nc(N/C=C2\C(=O)c3c(sc(C)c3C)N(C)S2(=O)=O)n1 95676594 SWZBGEJWVHYDMJ-UXBLZVDNSA-N 398.897 3.033 30 40 GGEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1C 16741158 WSKVDUFPDVJNBH-OFXSGMSSSA-N 386.926 3.050 30 40 GGEB CCOC(=O)Cn1cc(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196024 TVXXAAJYYREOLV-ZMOGYAJESA-N 395.459 3.345 30 40 GGEB C[C@H](Oc1ccccc1)/C(O)=N/c1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 2333009 IXPMJODXFQTJDI-XJKSGUPXSA-N 377.404 3.265 30 40 GGEB Cc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2C)cc1 2491203 ZLHYIDNNHJNSDX-UMIVRTMYSA-N 397.456 3.283 30 40 GGEB COc1ccccc1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@H]12 4028513 FOEBWTIHOHDNTR-YFDXYBJUSA-N 385.504 3.310 30 40 GGEB biogenic Cc1cc(-c2nnc(S)n2/N=C/c2cc(Br)ccc2F)[nH]n1 5625911 SJCAOUNKSGABPI-OMCISZLKSA-N 381.234 3.049 30 40 GGEB C#CCOc1ccc(C(=S)N2CCN(Cc3ccccc3)CC2)cc1OC 33600084 WTETTYYYTLREQT-UHFFFAOYSA-N 380.513 3.201 30 40 GGEB CCNC(=S)N/N=C/c1cc(Br)c(O[C@H](C)CC)c(OC)c1 33654491 PJYLPAVMNYZXPF-SVXRXWARSA-N 388.331 3.453 30 40 GGEB N#Cc1ccc(CS(=O)(=O)N2CC3(CCOCC3)[C@H]2c2ccccc2)cc1 566785993 SWQMFLFWVSLVRN-HXUWFJFHSA-N 382.485 3.242 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 224680236 GFDZNVVQDVVGMI-UHFFFAOYSA-N 398.484 3.351 30 40 GGEB CC(=O)OCCCSc1ccc(NS(=O)(=O)c2ccc(C#N)cc2)cc1 69528002 OMCNHGVZUDHVBY-UHFFFAOYSA-N 390.486 3.404 30 40 GGEB CC(=O)OC[C@@H]1O[C@@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 5431978 KNXNDGHPTWDHLL-BLACJIEISA-N 388.504 3.190 30 40 GGEB CCCCn1c(SCC(=O)N[C@@](C)(C#N)C(C)C)nnc1[C@H](CC)N(C)C 2664375 YBBDFCGLBSZGTH-KXBFYZLASA-N 394.589 3.237 30 40 GGEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccco2)s1 102744890 BBJCDPWZJVKROL-REQDGWNSSA-N 385.401 3.474 30 40 GGEB C=CCN(C(=O)CSc1nnnn1C1CC1)c1nc(-c2ccccc2)cs1 8232177 ZOKUPMCDUNGABL-UHFFFAOYSA-N 398.517 3.443 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 102865842 VRBIHYCWNMAFRR-WOOAAIBNSA-N 381.428 3.072 30 40 GGEB C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2CCSc3c(F)cccc32)c1 72272823 QCEVUUIBWHOYCZ-QGZVFWFLSA-N 383.448 3.282 30 40 GGEB CN(C)c1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 59104867 MAANMDLASGSAOH-BUVRLJJBSA-N 390.487 3.317 30 40 GGEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(NC(=O)C(C)C)ccc23)CC1 95481247 SHJNNVRWKKSYGE-FQEVSTJZSA-N 398.507 3.082 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 852711 IODAQPOKPQCAQF-NFJKTXFASA-N 379.415 3.436 30 40 GGEB biogenic CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 32639505 BKSYMCVWZRHLAG-HJUNTIBCSA-N 386.926 3.132 30 40 GGEB N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 19819349 DGJRJCDPPXOSJR-HUUCEWRRSA-N 391.818 3.391 30 40 GGEB COc1ccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc2c1 2087046254 DXIWISZRSSNXHU-GJZGRUSLSA-N 377.473 3.144 30 40 GGEB C=CCn1c2ccccc2c2nnc(SCC(=O)Nc3nnc(C)s3)nc21 4498743 IWFRDJRGEHRJHS-UHFFFAOYSA-N 397.489 3.056 30 40 GGEB COC(=O)c1cc(-c2ccccc2)nc2c1C(=O)C(=O)C=C2N1CCCCC1 2023746 ZCTKTGHJQJXLMR-UHFFFAOYSA-N 376.412 3.127 30 40 GGEB O=C(O)c1ccc(C/N=C/c2ccc(O)c(I)c2)cc1 408903892 AYCHIDKDCZWTDA-RQZCQDPDSA-N 381.169 3.314 30 40 GGEB C#CC(CC)(CC)NC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1 12948427 QPEFNQHOBATBNJ-UHFFFAOYSA-N 390.549 3.102 30 40 GGEB Cc1ccccc1/C=C/C(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13059767 BLXKANCPEXZCEZ-VAWYXSNFSA-N 383.473 3.118 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)c1 19131954 VELANZKPKPTLCS-IBGZPJMESA-N 382.460 3.426 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(C)o2)c1 19973891 MOYSMZMTXDXXQJ-LJQANCHMSA-N 398.459 3.127 30 40 GGEB COC(=O)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 6409275 XDVJUORBADCJQE-HYARGMPZSA-N 395.440 3.420 30 40 GGEB CN(Cc1ccccc1Br)C(=O)COC(=O)c1ccc(C#N)cc1 10808238 JLFRHXXXRJKMHU-UHFFFAOYSA-N 387.233 3.136 30 40 GGEB CN(C)c1ccc(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N(C)C)n2)cc1 106381972 CXIXMRMZPKJMEO-LPYMAVHISA-N 394.458 3.332 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O 19592858 LUJDWGBEUMFTHM-OAQYLSRUSA-N 392.499 3.016 30 40 GGEB COc1ccccc1C/C(C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O 35190784 XVQMWUSTINEBKG-CSUZIONRSA-N 398.459 3.425 30 40 GGEB biogenic COc1cc2c(cc1OC)CCN(C)C(C(=O)c1cccc(NC(C)=O)c1)=C2 62001376 KRWYCDGXEORDMQ-UHFFFAOYSA-N 380.444 3.374 30 40 GGEB biogenic CC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 2391473 NICLPSLDDJHRCQ-IBGZPJMESA-N 394.393 3.109 30 40 GGEB C=CCOc1ccc(/C=c2/sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 6174194 ITWLTBSDZGEJSY-QGOAFFKASA-N 375.453 3.239 30 40 GGEB O=C(CC1CCCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 6659054 KWZWRKYEOGAXSW-GPASRXLFSA-N 392.546 3.258 30 40 GGEB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1N=Cc1c[nH]c2ccc(Br)cc12 409406136 JNEIQVAKCTUMRH-VUKUWZNJSA-N 384.233 3.071 30 40 GGEB CCNC(=S)N/N=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12 33665851 VSYDDZCHYNPBAV-SSDVNMTOSA-N 380.473 3.206 30 40 GGEB N#CCN1CCN(C(=O)c2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)CC1 597275210 SHDHDNRITIDLRM-UHFFFAOYSA-N 397.294 3.257 30 40 GGEB C/C=C/C1=CC2=CC(=O)[C@@](C)(OC(=O)c3c(C)cc(O)cc3OC)C(=O)C2=CO1 14594465 VRWFEVIVOZKBJA-IOUFHMPJSA-N 396.395 3.077 30 40 GGEB biogenic,in-vitro O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)NO 4270229 MERURASHTKLQBC-UHFFFAOYSA-N 383.408 3.152 30 40 GGEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccnc1 4632295 MKUWNTOXABMVQG-IBGZPJMESA-N 380.444 3.475 30 40 GGEB COc1ccc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1OC 4881259 YUTIFCZVCWLLRH-UHFFFAOYSA-N 390.443 3.274 30 40 GGEB COC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 6878997 HIOCJJAPBFRSHV-MHWRWJLKSA-N 386.404 3.269 30 40 GGEB CN1/C(=C\C(=O)COC(=O)[C@H]2COc3ccccc3O2)C(C)(C)c2ccccc21 32940069 AEYNIXBPOYMAJR-COVVZGLNSA-N 393.439 3.250 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 104308504 VOIOIWVWEJGALT-QOCHGBHMSA-N 385.489 3.071 30 40 GGEB COC(=O)c1ccc(/N=C2\C=C(N3CCCC3)C(=O)c3cccc(O)c32)cc1 2229238 HTDTZIYGJSAWDF-HAVVHWLPSA-N 376.412 3.476 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3OC)c2C)C1=O 409132097 OPWCEZPEPXJWDE-MHWRWJLKSA-N 396.403 3.090 30 40 GGEB N#Cc1c(SCCN2CCCCC2)nc(N2CCOCC2)c2c1CCCC2 6755073 OAPSROBCBLKVGC-UHFFFAOYSA-N 386.565 3.247 30 40 GGEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccccc1F 4187928 QFIOKRQWYWQSLJ-XDHOZWIPSA-N 394.428 3.210 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](CC)C3)n1C 10440152 XQXUAKYHYAFCOT-LBPRGKRZSA-N 376.551 3.453 30 40 GGEB CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2 100885236 VPDJKEMSMBOBDT-OAHLLOKOSA-N 399.472 3.161 30 40 GGEB Cc1cc(C(=O)O[C@@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1[N+](=O)[O-] 7532228 QWTQPSMVAACKKM-HNNXBMFYSA-N 381.388 3.395 30 40 GGEB C=CCn1c(SC[C@H](O)COc2ccc(C#N)cc2)nc2ccsc2c1=O 10911405 RSHYORYNDYAGKP-CQSZACIVSA-N 399.497 3.048 30 40 GGEB C=CC[C@@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 55168224 IQLWGFSOSYCVLE-QFIPXVFZSA-N 395.411 3.399 30 40 GGEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccn2)s1 13720117 HWJXBQWUZDBXEY-ZDUSSCGKSA-N 384.442 3.086 30 40 GGEB NC(=S)N/N=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 409063268 JSUMFILXSSSRAR-YXSASFKJSA-N 375.816 3.382 30 40 GGEB COc1ccc2cc(/C=N/Nc3nnc4c(n3)[nH]c3ccccc34)c(O)nc2c1 9344614 VJNQKWNZRYKPGK-UFFVCSGVSA-N 385.387 3.215 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccs1)C(C(=O)OC)=C(C)N2 7990946 QEYILGMCGAXZDF-LBPRGKRZSA-N 375.475 3.114 30 40 GGEB N#Cc1oc2ccccc2c1NC(=O)CSc1nnc(C2CCCCC2)n1N 79182854 IOGZHJWMOQBBCO-UHFFFAOYSA-N 396.476 3.388 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C(=O)NC1=S 208221827 WDQDPLVQKRHQHB-RERGGYADSA-N 383.517 3.221 30 40 GGEB CCOc1ccccc1-c1nnc(SCc2cc(O)n3ncc(C#N)c3n2)o1 40127657 IJWRNVKLIQTZDB-UHFFFAOYSA-N 394.416 3.048 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1[N+](=O)[O-] 59370326 NIPDFTHODBMOBJ-KRWDZBQOSA-N 376.368 3.336 30 40 GGEB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@@H]1c1ccc(C#N)cc1 59227895 JDPWWCATXPCIEA-GOSISDBHSA-N 391.818 3.402 30 40 GGEB C[C@@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1sccc1C#N 27825514 OYKIRVDZUKMTSU-CYBMUJFWSA-N 397.456 3.321 30 40 GGEB N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)o2)cc1 4545308 BNFCYBWCLNASPQ-LDADJPATSA-N 383.363 3.485 30 40 GGEB N#CCCn1cc(/C=C/C(=O)N2CCN(c3ccccn3)CC2)c2ccccc21 7737735 PSKUWSKDTGZFLO-MDZDMXLPSA-N 385.471 3.312 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1/C=N/Cc1ccccc1 408537816 XJYLCVLMDKMRTO-QCXKMSLLSA-N 389.333 3.175 30 40 GGEB CCOc1c(Br)cc(/C=N\N2C(=O)CSC2=S)cc1OC 409327945 NWZYPZOXFXMUQJ-UUASQNMZSA-N 389.296 3.051 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32508305 GTRPEIYCQGMFAG-ZNWLFMFGSA-N 394.562 3.341 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)c2cccs2)s1 206678247 AENKFJWBJBOXQN-UHFFFAOYSA-N 395.465 3.167 30 40 GGEB O=C1N[C@H](c2cccc(F)c2)/C(=C(\O)c2ccc(Br)cc2)C1=O 101062606 WKNNWLGFVFCTHG-SXWSKBOKSA-N 376.181 3.298 30 40 GGEB C=CCNC(=O)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12765441 TTXPBWNTZFMJAK-QGZVFWFLSA-N 378.881 3.052 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc2c(c1)CCCC2 36386020 OFDGQHWRLKKITC-UHFFFAOYSA-N 397.500 3.288 30 40 GGEB C=CCNc1oc(-c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)nc1C#N 36627985 HAJSCDIHEILLMU-AWEZNQCLSA-N 386.477 3.232 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)N(c3cccc(C(=O)O)c3)N=C2C)cc1OC 5027154 NJWUHLOOLLYOSU-WOJGMQOQSA-N 390.395 3.212 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)cc1 6786389 ZVUQXRGAZRWJFQ-SFHVURJKSA-N 383.400 3.069 30 40 GGEB CC[C@H](C(=O)Nc1sc2c(c1C#N)CCCC2)n1nnc2ccccc2c1=O 9025711 OFZKQUHHJYYZLX-MRXNPFEDSA-N 393.472 3.193 30 40 GGEB COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCC(=O)N1CCCC1 408576174 SILAEMXNKSYKTH-UHFFFAOYSA-N 391.423 3.159 30 40 GGEB CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1 19999668 VCAMLOKOLVCOOZ-LJQANCHMSA-N 398.459 3.127 30 40 GGEB Cc1cc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)c(C)n1-c1ccccc1 408586140 BJXCXECYZUQSSU-MHMFBNOVSA-N 385.467 3.481 30 40 GGEB CCOc1ccccc1-n1nc(C#N)c(N2CCN(c3ccccc3F)CC2)n1 256046404 FRLDFRQLIAREPF-UHFFFAOYSA-N 392.438 3.003 30 40 GGEB O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccc(F)cc1F 2631069 ITOLAGMUIQCJFD-INIZCTEOSA-N 389.427 3.124 30 40 GGEB COc1cccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2087046256 HGCFKNHAZWHHRW-GASCZTMLSA-N 377.473 3.144 30 40 GGEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCc3ccccc3)o2)cc1 12420999 SHFGIJNMDVSLJY-UHFFFAOYSA-N 382.445 3.076 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccccc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673905 RMGUNHOCPRYYJC-KRWDZBQOSA-N 376.460 3.325 30 40 GGEB CCOC(=O)Cc1csc(S[C@@H](C)C(=O)Nc2ccccc2C#N)n1 7507881 WKNRKBIKKBNGKT-NSHDSACASA-N 375.475 3.240 30 40 GGEB O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 1254196 QRFCFSQIEGQLQH-FNLSEGDXSA-N 383.448 3.284 30 40 GGEB CN(Cc1cccc(Br)c1)S(=O)(=O)Cc1ccc(C#N)cc1 22185857 MWPQSDHDYCQRCC-UHFFFAOYSA-N 379.279 3.283 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccncc1 102877020 JPMZOBZZCOAZET-SELCWUDQSA-N 399.878 3.108 30 40 GGEB COc1ccc2[nH]c3c(=O)n(/N=C/c4ccc(OC)c(OC)c4)c(C)nc3c2c1 2210279 SSQDQDFFNSIPCX-SSDVNMTOSA-N 392.415 3.094 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@@H]2c1ccccc1F 14944761 IDCLMHRSHQOAAB-CKNLXJGOSA-N 397.402 3.212 30 40 GGEB Cc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)n1-c1ccccc1 5956625 VZBMGWJFMCOEPP-UHFFFAOYSA-N 394.416 3.086 30 40 GGEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)OC 409099331 LCRFBZNHNUSUER-NUGSKGIGSA-N 397.353 3.497 30 40 GGEB C=CCOc1ccc([C@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1OC 16734320 ZYOPPADEROWLBX-GOSISDBHSA-N 390.505 3.252 30 40 GGEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(C#N)cc1 409283926 JZMOGZCYCTZZEZ-UHFFFAOYSA-N 381.233 3.475 30 40 GGEB N#Cc1cccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)c1 225919107 UJFTZTICNIYGNZ-UHFFFAOYSA-N 382.217 3.274 30 40 GGEB C=CCn1c(S)nc2cc(C(=O)Nc3ccc(N(C)C)cc3C)ccc2c1=O 40111675 XQYZFMWEYPABDP-UHFFFAOYSA-N 394.500 3.498 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ccc(C#N)nc4)C3)ccc2n1 2087044244 URPMTQCFOXCTML-OAHLLOKOSA-N 376.464 3.199 30 40 GGEB N#Cc1ccc(CN2CCN([C@@H](C(=O)N3CCCC3)c3ccccc3)CC2)cc1 23247720 CCLPYVDVEVSSEY-HSZRJFAPSA-N 388.515 3.040 30 40 GGEB C=CCSc1nnc(NC(=O)C23C[C@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)s1 101325304 PFNUZYNAADHEEB-LGBHXNNWSA-N 392.550 3.230 30 40 GGEB CC(=O)Nc1cccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)c1 18020958 RCNCUABDRFWYLV-UHFFFAOYSA-N 390.468 3.485 30 40 GGEB C#CCOc1ccc(Br)cc1C[C@H]1SC(=S)N(CC)C1=O 6952988 BMRPANQUZHOOSI-CYBMUJFWSA-N 384.320 3.252 30 40 GGEB N#Cc1c(-c2cc(Cl)ccc2OCc2ccccc2Cl)[nH]c(=O)[nH]c1=O 59639135 WRFDCUPECKVHKP-UHFFFAOYSA-N 388.210 3.488 30 40 GGEB CC(=O)c1cc(C#N)c(SCC(=O)N(CCC#N)Cc2ccco2)nc1C 24141021 RSTCIOFQIUTCBV-UHFFFAOYSA-N 382.445 3.092 30 40 GGEB C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC#N)c2ccccc2)cc1 57991198 IQDFTNUWBGDGRH-KRWDZBQOSA-N 397.500 3.420 30 40 GGEB COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2238306 AGLSSNILSSDGRE-HOTGVXAUSA-N 382.464 3.195 30 40 GGEB CCN(CC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCc1ccccc1 2323556 IZGXVBKISZCSSQ-GOSISDBHSA-N 387.487 3.442 30 40 GGEB C=CCC1(c2ccc([N+](=O)[O-])cc2)SC(C(=O)OC)=C(C(=O)OC)S1 24494808 NBIOOQWCHUMYDE-UHFFFAOYSA-N 381.431 3.361 30 40 GGEB C=CCn1c(Cc2csc(NC(=O)c3ccccc3OC)n2)n[nH]c1=S 12943254 HGJGAIRBVYOZCG-UHFFFAOYSA-N 387.490 3.435 30 40 GGEB C#CCOc1ccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)cc1 409278396 DMQJAGRSPAPVHI-UHFFFAOYSA-N 396.244 3.362 30 40 GGEB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)c1 19929265 DNTIQEGBWQOLSQ-UHFFFAOYSA-N 393.428 3.297 30 40 GGEB C#CCOc1ccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 12667682 UIQZOTYSVIDRMX-GOSISDBHSA-N 375.476 3.012 30 40 GGEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 4312509 LWEOFOADILALGP-KRWDZBQOSA-N 385.803 3.393 30 40 GGEB COc1ccc(N/N=C(\Sc2nnnn2-c2ccc(C)cc2)C(C)=O)cc1 100797858 MRRMQNQIXOKKEK-JZJYNLBNSA-N 382.449 3.086 30 40 GGEB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1 3588067 LZGMNHBDFQFUCC-UHFFFAOYSA-N 384.867 3.338 30 40 GGEB CC[C@@H]1CS/C(=N\c2ccccc2)N1C(=O)c1nc2nc(C)cc(C)n2n1 103028804 IIAWWTRDZMDYEE-DSGGYQJVSA-N 380.477 3.396 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2F)cc1 16737187 VTLLJWQUCFAVPZ-LJQANCHMSA-N 399.418 3.185 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccnc1 2336192 FAPUVMYLDTVIIZ-UHFFFAOYSA-N 394.504 3.323 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2ccc(C#N)cc2)cc1 6325259 FEVIZUQACBACPH-NTEUORMPSA-N 383.473 3.241 30 40 GGEB C=CCSc1ccccc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O 14168700 QYRNHMZSEPQBCU-UHFFFAOYSA-N 387.505 3.404 30 40 GGEB N/C(=N\OC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(CN2CCCCC2)cc1 4785040 JGYJJSUNHBUKKK-UHFFFAOYSA-N 382.420 3.058 30 40 GGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 5752319 POBBHAGXHYEUSZ-UHFFFAOYSA-N 383.713 3.421 30 40 GGEB CN(C)c1ccc(/C=C2/S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1 6871463 VEDIIVVFOIJIEH-WYRLOYKNSA-N 395.444 3.255 30 40 GGEB COc1cccc(/C=C\c2c(C(=O)O)nn(-c3ccc(C)cc3)c(=O)c2C#N)c1 409194976 NYGQWNNBMCHEHM-FLIBITNWSA-N 387.395 3.290 30 40 GGEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222991434 YIHAIZGOXVNDQH-GOSISDBHSA-N 380.488 3.347 30 40 GGEB COc1ccc(C)cc1C1(CNC(=O)N[C@H]2CCCC[C@@H]2C#N)CCOCC1 596195044 DKDPFPKELLVCJY-MJGOQNOKSA-N 385.508 3.433 30 40 GGEB CCOC(=O)c1ccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)cc1 1001957 RTIFFZQKEVPVNE-KGENOOAVSA-N 398.440 3.436 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)c2ccc(Cl)cc2)[nH]c1=O 16687744 CENLEHWPYNAVMG-UHFFFAOYSA-N 376.821 3.052 30 40 GGEB O=[N+]([O-])c1ccc(/C=N/c2ccc(S(=O)(=O)/N=c3\[nH]ccs3)cc2)cc1 2489775 LLJFRSRPDMCODN-WOJGMQOQSA-N 388.430 3.025 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)Cn3nnc(-c4ccccc4)n3)c2C#N)C1 2788111 PKDWCPJXYKCFCP-GFCCVEGCSA-N 378.461 3.037 30 40 GGEB C=CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 56140016 WXJGNZTUOMCKFH-GOSISDBHSA-N 397.562 3.098 30 40 GGEB N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 25046282 QEGYKEDBAJWVRP-QFIPXVFZSA-N 375.472 3.048 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 101314512 BAWAZAVFBKTFGI-DRYFDLRVSA-N 393.317 3.005 30 40 GGEB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N+]34CCN(CC3)CC4)ccc21 3427154 OJAXJVRHCFCLJW-KRWDZBQOSA-O 377.512 3.287 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)C(=O)NC1=S 4723870 DYDMBFXZEJLCPR-GJSJWPQCSA-N 378.881 3.330 30 40 GGEB N#Cc1ccc(C(=O)N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 7783345 ABLBWKZYDWGSKU-UHFFFAOYSA-N 381.304 3.216 30 40 GGEB CN(C(=O)CN1CCC(C(=O)Nc2ccccc2)CC1)C1(C#N)CCCCC1 8004363 LSDYHSQSGPIJAI-UHFFFAOYSA-N 382.508 3.022 30 40 GGEB COc1cc(/C=C2/S/C(=N\c3cccc(C(=O)O)c3)N(C)C2=O)ccc1O 33932543 WGCCUPABHFATCC-JLWPNQNFSA-N 384.413 3.333 30 40 GGEB Cc1nc(C2CCN(Cc3cccc(C#N)c3)CC2)nc(N2CCOCC2)c1C 19555312 MIPUBQAJOVJJFV-UHFFFAOYSA-N 391.519 3.181 30 40 GGEB O=C1C=CC=C2[C@H]3C[C@H](C[C@@H]12)CN(c1nc(Cl)nc(NCc2ccco2)n1)C3 100130697 NBQZZMQMYBVCCQ-DVOMOZLQSA-N 397.866 3.258 30 40 GGEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccccc1C(=O)O)n1ncnc1N2 18196364 XGTBKDMGDFDMNO-ZMZPIMSZSA-N 392.440 3.454 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C(\O)N(C2=NCCS2)c2ccccc2)cc1 26508968 MWRKTOCZWJOZBR-UHFFFAOYSA-N 375.475 3.207 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(C)c1 8705561 YVOVWJVZTXJYAY-JOCHJYFZSA-N 375.428 3.099 30 40 GGEB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c(C)n1Cc1cccs1 19229728 ARYJIUZWQQHNFT-UHFFFAOYSA-N 396.428 3.039 30 40 GGEB CN(C)/C=C(\C(=O)c1ccc(F)cc1F)c1nnnn1-c1ccc(Cl)cc1 4452651 RMXRRHPVAYMCJC-XNTDXEJSSA-N 389.793 3.379 30 40 GGEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118917770 MVSNUOQYIMBCLK-YZNYKAHVSA-N 390.520 3.412 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507967 OOTWNSREWGCKNL-RWOJDECJSA-N 394.562 3.458 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(CC)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218347683 WKLDVYBFXBQCAH-DYXWJJEUSA-N 383.469 3.262 30 40 GGEB CCCCCCOc1ccc(/C=C/C(=O)ON2C(=O)CCC2=O)cc1OC 97940137 AVQVAAHMFKFEKO-XYOKQWHBSA-N 375.421 3.275 30 40 GGEB O=C1C[C@@H](C(=O)Nc2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 100129417 BMAOIVYHTJEGMJ-WMLDXEAASA-N 378.403 3.301 30 40 GGEB Cc1ccc(Cn2c(=O)c3ccccc3n3c(S[C@H](C)C#N)nnc23)cc1 3492175 VCPPUGMKAMUKIS-CQSZACIVSA-N 375.457 3.405 30 40 GGEB O=C1C(=O)N(CCO)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccc(Cl)cc1 102880862 QZEMQWZRJSBIRF-UYTDBDHRSA-N 392.238 3.407 30 40 GGEB O=C1CN2C(=C1c1nc3ccccc3[nH]1)NC(=O)c1c2sc2c1CCCC2 3320307 MNWASSLCRYYOBW-UHFFFAOYSA-N 376.441 3.005 30 40 GGEB C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3F)c2C)C(=O)NC1=S 13943122 WVBCAQQVBDWYGX-PTNGSMBKSA-N 383.448 3.046 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C3CC3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 5271825 LXLUPOPHDQQEKM-GPASRXLFSA-N 392.546 3.041 30 40 GGEB CC1=NN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@@](O)(C(F)F)C1 6395344 WGTUSAOJXCMEPD-FQEVSTJZSA-N 385.370 3.313 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)cc2C1=O 5569679 FFXSOUGXDJEHBB-GFCCVEGCSA-N 381.359 3.036 30 40 GGEB CC(=O)c1cc(Br)ccc1OS(=O)(=O)c1ccccc1C#N 16094706 ZDADIRHVZWGTCB-UHFFFAOYSA-N 380.219 3.291 30 40 GGEB CCN1C/C(=C/c2ccc(OC)c(O)c2)C(=O)/C(=C/c2ccc(OC)c(O)c2)C1 23230520 UDVWXXKUVFFLEB-BUOZRGFLSA-N 395.455 3.487 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCO[C@H](C)c1ccccc1 40025747 CYPIHDBQIILZGF-QGZVFWFLSA-N 381.476 3.080 30 40 GGEB COc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)c2ccc(Cl)cc2)cc1 4301044 BXSDSUGLFNBPBB-SFQUDFHCSA-N 383.839 3.110 30 40 GGEB N#Cc1ccc(CN2CCC[C@H](COc3ncc(Br)cn3)C2)cc1 1775995344 PANNANBXNQJJLO-INIZCTEOSA-N 387.281 3.402 30 40 GGEB C=CCn1ccc2c(OCC(=O)Nc3cccc(NC(C)=O)c3)cccc2c1=O 4584243 XDRFJMFLFRQFRV-UHFFFAOYSA-N 391.427 3.163 30 40 GGEB C/C(=N/N=C1/NC(=O)C[C@H](C(=O)Nc2ccccc2)S1)c1ccc(F)cc1 4996765 FRXNBMYZFRBNPT-HNEZCVDCSA-N 384.436 3.166 30 40 GGEB C/C(=N\OCC(=O)O[C@@H](C)C(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 6948075 MTYNXFSENKFQRP-AEOXGOBCSA-N 387.363 3.110 30 40 GGEB Cc1noc(C)c1CSCC(=O)NCCSCc1ccccc1C#N 23298752 NYUQZAAECQMURE-UHFFFAOYSA-N 375.519 3.446 30 40 GGEB Cc1cccc(/C=N/CCOCCOCC/N=C/c2cccc(C)c2O)c1O 104373726 BHNLOCFFOOFDHV-DFEHQXHXSA-N 384.476 3.286 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@H]2c1ccc(OC(F)(F)F)cc1 18200686 VUIBGFAPSPXSIM-AWEZNQCLSA-N 393.369 3.417 30 40 GGEB CC(=O)OCN1C(=O)/C(=N\c2sc3c(c2C#N)CCCC3)c2ccccc21 17903317 ZNHNBGALWDHGBA-PYCFMQQDSA-N 379.441 3.487 30 40 GGEB Cc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cc(Cl)ccc3C#N)C2=O)c1 408533139 JLAYIPQCMUFLFS-HNNXBMFYSA-N 380.791 3.122 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 1108066 RSQVUAMDIQUPDX-ZQFKLAOWSA-N 393.442 3.432 30 40 GGEB biogenic C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224774994 MPMYUKQBORPDNB-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1 34193977 MLHWLTVGCUIZPY-AWEZNQCLSA-N 379.441 3.017 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Br 7516906 HDDRLXRIPMYFPJ-AWEZNQCLSA-N 392.249 3.303 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1 107728407 CKZPLFRNMVENJR-XMHGGMMESA-N 390.464 3.092 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2F)o1 102862057 QQLQRDCVZSVCQX-UYTDBDHRSA-N 379.347 3.143 30 40 GGEB CCCNC1=C(C(=O)CCCN2C(=O)c3ccccc3C2=O)C(=O)CC(C)(C)C1 100154764 XTKFDSMLQXGCAO-UHFFFAOYSA-N 396.487 3.275 30 40 GGEB Cc1cccc(Cn2cccc(C(=O)NCc3ccc(C#N)cc3F)c2=O)c1 72275791 QWQZCCXPKPOSDI-UHFFFAOYSA-N 375.403 3.146 30 40 GGEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1ccc(OCC)cc1 3637562 GBDJLUSVFWQVKV-SFHVURJKSA-N 386.473 3.465 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(O)c1 6238872 OSHPEMJSOKTEDK-IBGZPJMESA-N 397.427 3.016 30 40 GGEB biogenic COc1ccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3OC)C(=O)N2C)cc1 4700782 UCXDDMJUUBNMSP-QBEKEKFNSA-N 399.472 3.294 30 40 GGEB N#Cc1c(NC(=O)c2nn(-c3ccccc3)ccc2=O)sc2c1CCCC2 9576536 NKFLHUGRHRQHOD-UHFFFAOYSA-N 376.441 3.297 30 40 GGEB N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218211323 KTTKEXCZMJZMOW-CVEARBPZSA-N 387.258 3.422 30 40 GGEB Cc1ccccc1/N=C1\SCCCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 12869553 HBEUOTJCFSKKHQ-QWNPEKBMSA-N 389.546 3.402 30 40 GGEB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)N(CCC#N)c1ccccc1 5353088 ZPRCXMMCQOVMMK-MRXNPFEDSA-N 392.488 3.398 30 40 GGEB N#Cc1c(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)sc2c1CCCC2 100244047 GIGVWRKFFJCTPF-PTNGSMBKSA-N 392.440 3.077 30 40 GGEB Cc1c(/C=N/Nc2ccc([N+](=O)[O-])cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 100563893 ZJUZMFWTGRAJBT-SSDVNMTOSA-N 386.371 3.315 30 40 GGEB C/C(=N/NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1OC(F)F 35772388 TVSGOQUSNSFILK-ODLFYWEKSA-N 399.375 3.207 30 40 GGEB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cn2ccccc2c1C#N 14226204 IUNFXMUSQVPJED-UHFFFAOYSA-N 389.459 3.230 30 40 GGEB COc1ccc(C/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 4863627 JMOUVZGKNZAYLJ-LDADJPATSA-N 397.294 3.355 30 40 GGEB CN(C)c1ccc([N+](=O)[O-])cc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 408996556 ISUTXPZNMDXVNK-UFFVCSGVSA-N 397.460 3.193 30 40 GGEB C#CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OCC 409351943 XTQVTIMPMQGMSR-UHFFFAOYSA-N 397.818 3.048 30 40 GGEB O=C(COc1ccc(/C=N/c2ccc(F)c(Cl)c2)cc1)N1CCOCC1 409231447 KICRMIGQHQQMEF-WSDLNYQXSA-N 376.815 3.467 30 40 GGEB C=CCSc1nnc(NC(=O)C23C[C@@H]4C[C@@H](CC(NC(C)=O)(C4)C2)C3)s1 12945129 PFNUZYNAADHEEB-NLKGSNSHSA-N 392.550 3.230 30 40 GGEB CC(C)Oc1ccc(C(=O)N2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@H]32)cc1 1889148950 YCLFFGIZVCXWQL-UYAOXDASSA-N 376.460 3.091 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc3c(c2)OCO3)c1 3436753 OULKWGCQKPNZPF-UHFFFAOYSA-N 380.400 3.136 30 40 GGEB N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4ccco4)c(=O)n2C3)cc1 4237174 ZPIYPFDTGXZQME-FUHWJXTLSA-N 385.423 3.239 30 40 GGEB biogenic,in-vitro COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1cccc(Cl)c1Cl 4986775 PKIQZFCTUFXIAH-LLHLLMPMSA-N 382.243 3.249 30 40 GGEB CCOc1ccc(/N=C2\N=C(O)C[C@@H](C(=O)Nc3ccc(OC)cc3)N2)cc1 987719 UUCWXFZLMKYKDX-KRWDZBQOSA-N 382.420 3.039 30 40 GGEB N#Cc1ccc(OCCOC(=O)COc2ccc(F)cc2Br)cc1 22157329 FOZOAHPHQUZVMA-UHFFFAOYSA-N 394.196 3.461 30 40 GGEB COc1ccccc1-c1cnnc(N/N=C/c2cc(Cl)cc(OC)c2O)n1 5662190 KVRRUUVGNPERTE-AWQFTUOYSA-N 385.811 3.361 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3C(=O)Nc2ccccc2)cc1 9375038 PTOZSOMXBLKLOY-YJBOKZPZSA-N 390.439 3.171 30 40 GGEB NC(=O)COc1ccc(/C=C2/SC(=Nc3ccccc3Cl)NC2=O)cc1 409200745 IVKSUBGEZCFDSE-OQLLNIDSSA-N 387.848 3.096 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 32505403 JVKYSKVISQMZCM-WMEZAZGNSA-N 380.535 3.095 30 40 GGEB COc1cc(/C=N\O)cc(I)c1OC(=O)c1ccccc1 137786723 FYFMVVDEGUITCU-MFOYZWKCSA-N 397.168 3.327 30 40 GGEB C=CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223262342 MDNHEPRLNNUKLX-NRFANRHFSA-N 380.488 3.347 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242701693 WKLDVYBFXBQCAH-SFHLNBCPSA-N 383.469 3.262 30 40 GGEB N#Cc1ccnc(O[C@H]2CCCN(C(=O)c3ccccc3Br)C2)c1 575612534 LFQXFQCZHGYBBW-AWEZNQCLSA-N 386.249 3.399 30 40 GGEB O=C1c2ccccc2N[C@H](c2ccc(O)cc2O)N1/N=C/c1ccc(O)cc1O 849532 VDQJBQRCKSGLNS-OKFCBPFISA-N 391.383 3.110 30 40 GGEB Cc1cccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)N2C)c1 101650863 BKLDMCNFKSGFCV-ZBBYCGENSA-N 398.444 3.493 30 40 GGEB N#Cc1c(NC(=O)Cn2nnc(-c3ccc(F)cc3)n2)sc2c1CCCCC2 8402937 MOAMARGXZYSOHZ-UHFFFAOYSA-N 396.451 3.320 30 40 GGEB COc1cc(OC)c(OC)cc1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 4155979 GDDAATZSEPBNFI-LPYMAVHISA-N 381.432 3.261 30 40 GGEB C=CCn1c(=O)n2nc(-c3ccncc3)nc2c2c3c(sc21)COC(C)(C)C3 13729243 DKHHMUCEMDKGCM-UHFFFAOYSA-N 393.472 3.205 30 40 GGEB CSCC[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 9863935 WQKVOACDZUPCJL-SFHVURJKSA-N 394.452 3.019 30 40 GGEB CSc1ccc(S(=O)(=O)Nc2ccc(CC#N)cc2)cc1NC(C)=O 224861444 SRRKOOXKYDBZTJ-UHFFFAOYSA-N 375.475 3.234 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 222367948 KFTVOWXKQNSPKK-NEIMTPKJSA-N 376.387 3.473 30 40 GGEB Cc1cc(C)cc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)c1 256046394 FOZBGIHJDGTZAL-UHFFFAOYSA-N 376.439 3.222 30 40 GGEB Cc1ccc(Cn2c(=O)c3ccccc3n3c(S[C@@H](C)C#N)nnc23)cc1 3492174 VCPPUGMKAMUKIS-AWEZNQCLSA-N 375.457 3.405 30 40 GGEB Cc1nnc(SCc2nc3ccccc3c(=O)n2CC#N)n1-c1ccccc1 3389038 UZHSYABXBMAEIX-UHFFFAOYSA-N 388.456 3.102 30 40 GGEB N#CC1(NC(=O)CNc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCCC1 58277851 GYWIGNHDGIPUDL-HNNXBMFYSA-N 377.872 3.262 30 40 GGEB CCCC(=O)N1CCN(c2oc(/C=C/c3ccc(OC)cc3)nc2C#N)CC1 36628751 DYTLPNHBBQMABT-JXMROGBWSA-N 380.448 3.174 30 40 GGEB CC/N=C1/S/C(=C/c2cc(OC)c(O)cc2Br)C(=O)N1CC 408928921 GAQWSQMQGDQSBT-YUFDWGCQSA-N 385.283 3.475 30 40 GGEB CCn1c2c(c(=O)[nH]c1=O)[C@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 4248278 IZFGDNWTIXNTKG-MRXNPFEDSA-N 379.460 3.066 30 40 GGEB COc1ccc(-c2cs/c(=N\N=C3\C(=O)Nc4ccccc43)[nH]2)cc1OC 18283553 CHIQTNRUOKIXDG-UHFFFAOYSA-N 380.429 3.018 30 40 GGEB C[C@H](NC(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1)c1ccc(F)cc1 7564508 SWRZIZQBPLYBFR-UONOGXRCSA-N 397.406 3.101 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 218055260 LPWLGDPEPPTFOT-JENIJYKNSA-N 389.860 3.353 30 40 GGEB Cc1c(-c2ccccc2)n[nH]c1C(=O)N1CCN(C2=CC(=O)CC(C)(C)C2)CC1 12143812 SKULPRRQXRMIQL-UHFFFAOYSA-N 392.503 3.416 30 40 GGEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1CC 100857190 MISDRCOKHUFENO-VDMFXUGISA-N 398.326 3.426 30 40 GGEB COc1cc(/C(O)=N/S(=O)(=O)Cc2ccc(F)cc2)ccc1OC(C)C 40145347 XXRHGPTXPVXKAH-UHFFFAOYSA-N 381.425 3.456 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102934766 JSFYRPVCRIOLJS-VCJOYTQFSA-N 381.403 3.426 30 40 GGEB COc1cccc([C@@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c1OC 103004851 FEVYSYBMYNALQF-YDPGBSGYSA-N 392.415 3.213 30 40 GGEB Cc1cc(C(=O)N2CCCN(c3ccccc3C#N)CC2)c2c(C)noc2n1 46850388 WGAZZVMDVOHTAM-UHFFFAOYSA-N 375.432 3.064 30 40 GGEB Cc1ccsc1/C=N/n1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N/C1CC1 102960955 QRYASXHLGPTEDN-GCBUXOMGSA-N 398.513 3.336 30 40 GGEB CC1=CC(=O)/C(=C\Nc2ccc3c(c2)nc(CN2CCCCCC2)n3C)C(=O)O1 1547200772 DZTUBIYNBUOPFG-GHRIWEEISA-N 394.475 3.275 30 40 GGEB COC(=O)C(C)(C)c1ccc(CCOS(=O)(=O)c2ccc(C)cc2)cc1 218198473 ILCKTEFFKTZBLQ-UHFFFAOYSA-N 376.474 3.394 30 40 GGEB CC1(C)OB(c2ccc3ccccc3c2B2OC(C)(C)C(C)(C)O2)OC1(C)C 2362804942 WEDIBXQOBCMFKR-UHFFFAOYSA-N 380.102 3.438 30 40 GGEB C=CCN(Cc1ccc(C(=O)NC)cc1)S(=O)(=O)c1ccc(Cl)cc1 224480485 CYGNSQYMWHVGRM-UHFFFAOYSA-N 378.881 3.077 30 40 GGEB CCOC(=O)C/C(=N\Nc1ccccc1[N+](=O)[O-])NC(=O)Nc1ccccc1 16682260 KEIHPDATYSQHHN-UHFFFAOYSA-N 385.380 3.095 30 40 GGEB CC/C(Cl)=N\OC(=O)N(C)c1ccc([C@@](O)(C(=O)OC)C(F)(F)F)cc1 100157209 MDTYFCDFLGRRFZ-XLTHYULKSA-N 396.749 3.145 30 40 GGEB CC/N=C1\S[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1CC 12377702 NSTJVSITILKBOT-DPHDRGAJSA-N 390.534 3.167 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccc(O)c1 102859992 WMTAUALCBANHTR-GROYHEBESA-N 387.819 3.114 30 40 GGEB Cc1cc(Br)cc(C)c1NC(=O)Cn1c(C)cc(C)c(C#N)c1=O 409412323 JBPPATRCRCUBAE-UHFFFAOYSA-N 388.265 3.355 30 40 GGEB CC[C@H](C)Oc1cc(N(C)C)ccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 409404441 CTMGYOTYXFLLFE-IYNKWVJVSA-N 381.476 3.071 30 40 GGEB C=CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cnccn1 2369445 FWFJGXBLOLBGPM-UHFFFAOYSA-N 380.477 3.269 30 40 GGEB CCCCN(C(=O)CN(C)S(=O)(=O)c1ccccc1C#N)c1ccccc1 12912438 UAYIBTNIEYRFLI-UHFFFAOYSA-N 385.489 3.012 30 40 GGEB C=CCc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)ccc1O 4704232 MANHGENPWJYTJR-AQTBWJFISA-N 392.411 3.186 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccncc2)cc1 9243855 UVLJODQGYJOOCO-GOSISDBHSA-N 375.384 3.469 30 40 GGEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)o1 409303250 HQLRGQLPDKIHDZ-UHFFFAOYSA-N 389.253 3.263 30 40 GGEB C=CCN(CC(=O)OCC)C(=O)c1ccc(OCc2cccnc2)c(OCC)c1 95441845 MMXUGXSZHNWUQM-UHFFFAOYSA-N 398.459 3.251 30 40 GGEB C=CCN1CCN(C(=O)c2sc(Nc3ccc(Cl)cn3)nc2C)CC1 65306328 JKPSSWSSTJEESS-UHFFFAOYSA-N 377.901 3.187 30 40 GGEB Cc1ccc(-n2ccnc2SCc2cc(O)n3ncc(C#N)c3n2)c(C)c1 48332135 NYRLMBNIMLYDGW-UHFFFAOYSA-N 376.445 3.401 30 40 GGEB N#Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2F)o1 14152708 HXCRHDBJBLURHG-UHFFFAOYSA-N 384.392 3.390 30 40 GGEB C=CCn1c(SCC(=O)NC2CCCC2)nc2sc3c(c2c1=O)CCC3 3531851 CCWQQXXYTJZMOZ-UHFFFAOYSA-N 389.546 3.284 30 40 GGEB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc(C#N)cc2)C1=O 4476764 QBNZEMSQNJJPAG-GOSISDBHSA-N 384.233 3.288 30 40 GGEB C=CCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(OCC)cc2)c1 12605197 QGXVKKNQUSXYQL-UHFFFAOYSA-N 394.880 3.455 30 40 GGEB CCOc1cc2c(cc1NC(=O)COc1ccc(C#N)cc1OC)O[C@@H](C)C2 10902949 YPYTXGPTOPRULU-ZDUSSCGKSA-N 382.416 3.306 30 40 GGEB C=C(C)CN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1C)CCC3 11126306 WXJNTGVLUYICPV-UHFFFAOYSA-N 377.535 3.000 30 40 GGEB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]12O[C@@H]2c1ccccc1 3652993 TWDKBDSVUUKABK-HYBUGGRVSA-N 395.418 3.396 30 40 GGEB biogenic C[C@@H]1CCCC[C@H]1NC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13056656 HLTJXQFBTZVWLO-CZUORRHYSA-N 394.566 3.022 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCc3ccc4c(c3)OCO4)C(=O)O[C@@H]1C2 4086376 SUPCUEQUOHUVAQ-FDOKDRGKSA-N 399.487 3.032 30 40 GGEB biogenic C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccccc1F 4519838 JOKHKORXIFUPMU-UHFFFAOYSA-N 390.469 3.161 30 40 GGEB C[C@H]1c2cccn2CCN1Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 14201332 HPXCLRXFMNIMAG-AWEZNQCLSA-N 393.516 3.239 30 40 GGEB C=CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 16753741 MOGDHRKQHRJEKU-HXUWFJFHSA-N 391.423 3.204 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)o1 226055765 NDWSIEKUAPQMGA-YMDFMZMVSA-N 383.407 3.205 30 40 GGEB N#Cc1c(CCCNc2ncnc3sccc23)nn(-c2ccccc2)c1N 31576483 PLFIDGPIAHDYSS-UHFFFAOYSA-N 375.461 3.376 30 40 GGEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccccn1)c1ccc(F)cc1 6499142 WFWDTJVRZWLOLA-LJQANCHMSA-N 389.386 3.394 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(O)cc2)/C1=C(\O)c1cccs1 102859406 DAKZQLQYRWRESW-ILCKISKLSA-N 385.441 3.054 30 40 GGEB COc1ccc(CN/N=C/c2ccc([N+](=O)[O-])cc2Br)cc1OC 20196243 NZVOCPQZBANPDR-VXLYETTFSA-N 394.225 3.498 30 40 GGEB COc1ccccc1/N=C/c1ccc(CNC(=O)C(=O)Nc2ccccc2)o1 408874512 CUZLIAORBJTWMH-LPYMAVHISA-N 377.400 3.294 30 40 GGEB N#Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccccc2F)[nH]c1=O 8684328 AKKNYUQKTFMDFB-UHFFFAOYSA-N 380.404 3.178 30 40 GGEB COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)c(F)c2)cc(OC)c1O 7586461 QOJUBCRZCSADCX-ZZXKWVIFSA-N 387.407 3.281 30 40 GGEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4ccccc4C(F)(F)F)c3nc12 16742000 YSTWSXFJHJZEGH-UHFFFAOYSA-N 396.328 3.198 30 40 GGEB C=CCN(c1ccc(C(=O)NCCSC2CCCC2)cc1)S(C)(=O)=O 222813469 HIGCKBLQBDHKPX-UHFFFAOYSA-N 382.551 3.044 30 40 GGEB CC(=O)/C(=N\Nc1ccc(Br)cc1)S(=O)(=O)c1ccccc1 16138727 LDINAJHTXFONQO-OBGWFSINSA-N 381.251 3.237 30 40 GGEB Cc1cc(Br)c(-c2ccc(/C=N\Nc3nncn3N)o2)cc1C 16267977 RYEYWEZPHOOBQC-WSVATBPTSA-N 375.230 3.077 30 40 GGEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(Cc2ccsc2)CC1 23376254 HNIXQOASJZDSKE-AWEZNQCLSA-N 388.924 3.418 30 40 GGEB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC 6406852 KNEUCAPHTLMYDR-QSYFUGGGSA-N 380.400 3.159 30 40 GGEB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)N(C)CCC#N)o3)cc2C1 7129723 SFOBXQHJXYSBSW-LLVKDONJSA-N 376.507 3.387 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\NC[C@H](c1ccco1)N1CCCCCC1 1547200812 IBZLKXMNCNNJTR-UWXVCKHVSA-N 380.444 3.472 30 40 GGEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(C)o1 19973796 HZMKQORFEAAGHA-GOSISDBHSA-N 386.448 3.491 30 40 GGEB COc1ccc(Br)cc1/C=N/NC(=S)NCc1ccccc1 6182140 LCHTXNXPKZHZRD-YBFXNURJSA-N 378.295 3.456 30 40 GGEB O=C1C(=O)N2C(=C1C(=O)N1CCCCCC1)c1ccccc1CC21CCCCC1 2192228 OSXNWCDRKUPLKC-UHFFFAOYSA-N 392.499 3.471 30 40 GGEB COc1cccc(/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)c1 4498920 ASGUKSLHCCHDQC-GZTJUZNOSA-N 383.267 3.160 30 40 GGEB C=CCN1CCN([C@H](c2ccccc2Cl)c2nnnn2C2CCCC2)CC1 20139138 ZLWCIFYMJFAIMS-LJQANCHMSA-N 386.931 3.335 30 40 GGEB O=S(=O)(/N=C(\O)c1cccc(Cl)c1Cl)c1ccc2c(c1)OCCO2 48461540 AYLJPBFKNWNXAW-UHFFFAOYSA-N 388.228 3.458 30 40 GGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(N(C)C)cc2)S1 409091143 PRHAOORCDWIAKG-QINSGFPZSA-N 388.489 3.100 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 8943185 AKGFYIDHAWTSPA-OAQYLSRUSA-N 396.516 3.274 30 40 GGEB C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccc2ccccc2c1 34193979 MLHWLTVGCUIZPY-CQSZACIVSA-N 379.441 3.017 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224799155 NXDKWCRBLZKNDP-UHFFFAOYSA-N 393.461 3.102 30 40 GGEB COc1cc(OC)c(/C=N/N2C(=O)c3ccccc3C2=O)cc1Br 705215 PTMMLAHDCIFNFY-DJKKODMXSA-N 389.205 3.096 30 40 GGEB N#CC1(NC(=O)COC(=O)c2ccccc2C(=O)c2cccs2)CCCC1 21480161 JKFAYDPUYNQCNC-UHFFFAOYSA-N 382.441 3.088 30 40 GGEB C=CCOc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 56337479 SIYABUQGLMPZMA-UHFFFAOYSA-N 394.880 3.164 30 40 GGEB CCOc1ccccc1N1CCN([C@@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 57547467 JWNKWZKMJLHBTF-KRWDZBQOSA-N 378.476 3.106 30 40 GGEB COC(=O)c1ccc(CN(C)CC(=O)N(CCC#N)c2cc(C)cc(C)c2)cc1 26208425 KGMGAOOJFANVEX-UHFFFAOYSA-N 393.487 3.469 30 40 GGEB CC(=O)N1CCC(C(=O)N(C)C/C(O)=N/c2ccccc2C(F)(F)F)CC1 8987932 CCWLQVFDQONDCU-UHFFFAOYSA-N 385.386 3.010 30 40 GGEB CC/N=C1\S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C(=O)N1CC 4513045 PWQFJQYQIVQNEY-UGWNOKQLSA-N 398.868 3.124 30 40 GGEB CN(C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O)C1(C#N)CCCCC1 16615993 QHJFAKWCMFDYRL-UHFFFAOYSA-N 393.274 3.388 30 40 GGEB Cc1nc(N2CCOC[C@@H]2c2ncnn2-c2ccccc2)c(Cl)cc1C#N 575797839 DQCASWUSJJQDQK-QGZVFWFLSA-N 380.839 3.074 30 40 GGEB C=CCOc1c(Br)cc(Br)cc1/C=N/n1cnnc1 5027521 AGFAQZSAEORRQA-UBKPWBPPSA-N 386.047 3.250 30 40 GGEB COC(=O)c1ccc(N/C(=N/S(=O)(=O)c2ccccc2)C(F)(F)F)cc1 15481674 ATINAMISGLHDDX-UHFFFAOYSA-N 386.351 3.235 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc2ccccc12)c1cccs1 27332948 AHIBMUSBJKZIHX-SFHVURJKSA-N 379.437 3.472 30 40 GGEB Cc1csc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)n1 4857770 KKOXMHXNQRQIFX-UHFFFAOYSA-N 398.469 3.373 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)o1 102515451 GJRFHHXQLMFTBE-UYTDBDHRSA-N 379.347 3.143 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(Br)cc(OCC)c2O)C1=O 409045250 FWNAKUJNHUZBMN-KPKJPENVSA-N 382.235 3.223 30 40 GGEB COc1cc(C#N)cc(Cl)c1OCc1cccc(S(=O)(=O)N(C)C)c1 8775132 HEJRBKISKDWWCR-UHFFFAOYSA-N 380.853 3.050 30 40 GGEB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1ccccc1C#N 18224293 WSWLKJVFBCFHDB-UHFFFAOYSA-N 382.445 3.487 30 40 GGEB Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1C#N 8394299 VMZRYTBSCBENCR-UHFFFAOYSA-N 397.456 3.327 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2c(C)cccc2C)S(C)(=O)=O)c1 408614465 CNMOLPMIMUVFKB-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB C=CCN(Cc1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OC)cc1 225148210 XYOMMHVHWJXBHH-UHFFFAOYSA-N 389.473 3.249 30 40 GGEB N#Cc1c(NC(=O)c2ccc(NCCO)c([N+](=O)[O-])c2)sc2c1CCCC2 5656848 HNPTVBHQNWUFIN-UHFFFAOYSA-N 386.433 3.063 30 40 GGEB CCc1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)ncc(C#N)c2=O)cc1 49006182 FURQYSLGYJDAJW-UHFFFAOYSA-N 376.391 3.122 30 40 GGEB COC(=O)c1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)cc1 40266297 XNBIVSQEZPQXRG-GOSISDBHSA-N 376.416 3.199 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2cccc(O)c2)no1 102556733 VGXOGBZSUKXEJA-UYTDBDHRSA-N 382.397 3.376 30 40 GGEB COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 102695449 GIJBBKJVURIRHU-JYJNAYRXSA-N 382.464 3.051 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl 101311959 VXIILHSVWHOTKA-UBNBHNNWSA-N 393.317 3.005 30 40 GGEB C=CCN1CCN([C@H](c2ccc(C)cc2)c2nnnn2C2CCCCC2)CC1 20121613 MGZSYORKHMOBCM-OAQYLSRUSA-N 380.540 3.380 30 40 GGEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 28985323 FPBLSUXKLYIXHS-GFCCVEGCSA-N 385.445 3.416 30 40 GGEB O=S(=O)(/N=C(\O)c1ccc2c(c1)OCO2)c1cc(Cl)sc1Cl 95352925 DSBPDTUUVFKJQX-UHFFFAOYSA-N 380.230 3.477 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)Nc2cccc(-c3nnn[nH]3)c2)cc1OC 32978660 WDGSIEYTWARNGR-CSKARUKUSA-N 377.404 3.092 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(C#N)ccc1F 25819499 NFOWQJKMBFVSIU-UHFFFAOYSA-N 387.480 3.291 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1O 5323210 QTDRNANYOMRBSR-YCRPNKLZSA-N 388.427 3.408 30 40 GGEB COc1cc(OC)c(/C=N\n2c(S)nnc2-c2ccc(C)cc2)c(OC)c1 4754816 IFMIVHPXBFCFRS-JAIQZWGSSA-N 384.461 3.450 30 40 GGEB C=C(C)CN(CC)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 22613551 PJDNJKJJBAIHIT-UHFFFAOYSA-N 385.439 3.082 30 40 GGEB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1\CCc2ccccc2C1=O 6339738 KRZWRYHLFAAHGL-IPJDOKCGSA-N 390.892 3.417 30 40 GGEB CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCC(=O)O 4598703 GANOYTKYYNESKL-BOPFTXTBSA-N 398.440 3.440 30 40 GGEB COc1cc(CN2CCN([C@H](C#N)c3ccccc3)CC2)cc(OC)c1OC 95430347 YNEUFYASRWTCOY-LJQANCHMSA-N 381.476 3.095 30 40 GGEB Cc1nnc(S)n(/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1=O 408814608 GBWACHYGAFPHOA-SRZZPIQSSA-N 375.457 3.121 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@H]2c2ccco2)cc1 36612940 NSSRMZWPCJRQIE-SFHVURJKSA-N 377.400 3.132 30 40 GGEB N#CCc1ccc(NC(=O)Cn2ccc(=O)c3cc(Br)ccc32)cc1 225919312 ZJRNXDSSRHCBFE-UHFFFAOYSA-N 396.244 3.469 30 40 GGEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OC)cc1 224852727 YRFPDBXZALXTIH-UHFFFAOYSA-N 375.446 3.253 30 40 GGEB C[N+](C)(C/C=C/C[N+](C)(C)CC(=O)c1ccccc1)CC(=O)c1ccccc1 3067589 GBJQNLKGHGBJED-VAWYXSNFSA-N 380.532 3.461 30 40 GGEB CN(C)c1cc(N/N=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc(N(C)C)n1 4725698 RGNYILBIRZMIJT-NDENLUEZSA-N 395.423 3.223 30 40 GGEB O=C(C[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 1800103 AVKQCUBUDBYSGN-UHFFFAOYSA-N 375.235 3.243 30 40 GGEB O=C(O)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59678258 ZHKZLHORTLHXMR-VCHYOVAHSA-N 379.210 3.328 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1cccnc1 8471396 APBBEPULKLRAOC-UHFFFAOYSA-N 383.452 3.074 30 40 GGEB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 4472337 UACNFQRHUKIRGQ-UJFYRASASA-N 382.397 3.416 30 40 GGEB NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2cc(Cl)ccc2Cl)C1=O 5683534 AQAHLZBEYFJSFK-STZFKDTASA-N 392.271 3.251 30 40 GGEB C[C@H](c1ccc(F)cc1F)N1CCN(c2nc3c(cc2C#N)COCC3)CC1 570277456 DLYHYBLHKZRJJA-CQSZACIVSA-N 384.430 3.187 30 40 GGEB N#Cc1ccnc(OCC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)c1 1775969257 GTZAKFWYSRZIMO-UHFFFAOYSA-N 391.880 3.086 30 40 GGEB CC[C@@H]1CCCCN1C[C@@H](O)Cn1c2ccccc2n2c(=O)cc(C)c(C#N)c12 12080432 AIYONIJQDRWVHX-QZTJIDSGSA-N 392.503 3.060 30 40 GGEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(C)cc1C 5370139 OQHFUICNNOATNX-PSEQUABUSA-N 380.535 3.013 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1Cl 409143425 NDWCHGVSESWYLA-INIZCTEOSA-N 389.835 3.369 30 40 GGEB O=C1CSC(=S)N1/N=C\c1cccc(Oc2nc(Cl)ncc2F)c1 409334746 XMCUFPOVCAGWIT-DVZOWYKESA-N 382.829 3.256 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)c(I)c2)cc1 408905327 XHFNXHGDNCVDRM-OVCLIPMQSA-N 383.145 3.351 30 40 GGEB C=CCOc1ccc(-c2nonc2NC(=O)[C@H]2COc3ccccc3O2)cc1 12408627 DHLAURVLQIURAI-QGZVFWFLSA-N 379.372 3.080 30 40 GGEB CCNC(=O)COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OCC 96767428 CQZLVWQMEFAAGG-WJDWOHSUSA-N 381.428 3.259 30 40 GGEB N#Cc1cc(C(=O)c2cc(Cl)cc(Cl)c2O)cn(-c2nccs2)c1=O 3298737 BGAAJYSKWAWJGH-UHFFFAOYSA-N 392.223 3.409 30 40 GGEB CCc1nn(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)c(N)c1C#N 8715329 DKQREEZKZSNRGE-UHFFFAOYSA-N 390.325 3.369 30 40 GGEB C=CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 9721629 OKOILDTTZIDWJV-UHFFFAOYSA-N 390.530 3.361 30 40 GGEB Cn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1-c1ccco1 8189864 VINOJUWPQYUAKL-UHFFFAOYSA-N 385.474 3.228 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(OC)c1 224800653 XZIMVIQVVQCYPD-UHFFFAOYSA-N 393.461 3.102 30 40 GGEB COc1ccc(NC(=O)[C@@](C)(C#N)c2ccc(Cl)cc2)cc1C(=O)N(C)C 225961122 FYYVURMCRTXFFJ-FQEVSTJZSA-N 385.851 3.470 30 40 GGEB CCOc1ccc2nc3c(cc2c1)CN(CCOC)/C(=N\CCOC)S3 13150698 KXFHBLWHCXQIAD-FMQUCBEESA-N 375.494 3.190 30 40 GGEB N#C[C@@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCOCC4)c23)C1 1085876 KRDNHMUEVGJFHS-OAQYLSRUSA-N 376.485 3.478 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1C 3575990 NRNLPKWTGWPXSS-UHFFFAOYSA-N 379.485 3.397 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 4965245 XPKKRARZJQAJRX-KRWDZBQOSA-N 388.468 3.106 30 40 GGEB C=CCN1C(=O)/C(=C/C=C2/Sc3ccccc3N2CC(=O)O)SC1=S 3107228 VHQVPCITHPUZCD-MFUUIURDSA-N 390.511 3.455 30 40 GGEB C=CCOc1ccccc1CN1[C@@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 100752878 XTADSYIFCZBXQA-WIYYLYMNSA-N 392.503 3.140 30 40 GGEB C/N=C1/S/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N1C 101417792 FLFAOQAREDOCMY-QTFLQNGUSA-N 382.441 3.496 30 40 GGEB COc1cc(Br)c(S(=O)(=O)/N=C(\O)C2CCCC2)cc1OC 48580076 MMHLQQAHFDEPLH-UHFFFAOYSA-N 392.271 3.302 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cc2ccccc2o1 13109715 QFUKBGMJGCMADR-UHFFFAOYSA-N 383.429 3.156 30 40 GGEB COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc(OC)c(O)c1 49546022 NWHBXDCFTRFFSN-GOSISDBHSA-N 397.431 3.042 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1=O 409136859 YPGFGPKERRRTGL-CPNJWEJPSA-N 391.427 3.091 30 40 GGEB C=CCN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1c(C)cc(C)cc1C 6561653 VUXKMWOORWXZCH-UHFFFAOYSA-N 397.500 3.299 30 40 GGEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)S2)cc1 4675202 XBXGQGSQTKTKNX-YBEGLDIGSA-N 384.413 3.050 30 40 GGEB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C#N)o2)c1 7605510 AQGSTCZQEBNUIJ-UHFFFAOYSA-N 393.428 3.297 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl 32634716 AWKUXAYIZMUFIG-OXLCNLPBSA-N 393.317 3.005 30 40 GGEB Cn1ncc2c1CN(C(=O)C1(C)CCN(c3ccc(Cl)cc3C#N)CC1)C2 598938306 YZYLTUJMXADCRK-UHFFFAOYSA-N 383.883 3.094 30 40 GGEB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@@H](CC5)[C@@H]4C3=O)o2)cc1 5015195 RTWHMHDTOXWSFN-MEWYXSECSA-N 390.395 3.176 30 40 GGEB Cc1c(C(=O)/C(C#N)=N/Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C 5535849 ZDAHZKHYTNMUHA-JJIBRWJFSA-N 393.834 3.312 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2[C@H](C)CCC[C@H]2C)nc1C 7150063 XTLYIIVZPYHQMB-CHWSQXEVSA-N 375.494 3.320 30 40 GGEB Cc1[nH]c(=O)nc(SCC(=O)N[C@H](C)c2ccc3ccccc3c2)c1C#N 32776398 LIZDUKDFUVYEIM-GFCCVEGCSA-N 378.457 3.073 30 40 GGEB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)COc1cccc(C#N)c1 8198960 ATLMQKKODNEIMY-UHFFFAOYSA-N 382.445 3.487 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@H]1c1cccs1 102926569 HLDNCBLIFUTFNT-GROYHEBESA-N 387.457 3.133 30 40 GGEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc([N+](=O)[O-])c1 22608224 BUCQPQVWHAQINE-XLKFXECMSA-N 393.325 3.473 30 40 GGEB C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1ccc(Cl)cc1 4816380 SRFIQZMNSZBSTM-UHFFFAOYSA-N 392.897 3.367 30 40 GGEB Cc1ccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1Br 408919196 UPROOTRZZWRIRW-WQAPVAGSSA-N 385.261 3.145 30 40 GGEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O 101661900 MOYXNVWZAYJUNM-OAQYLSRUSA-N 387.480 3.499 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(OC)cc1OC 797811 GXGZDSAQMISMNT-LJQANCHMSA-N 391.423 3.445 30 40 GGEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(NC(=O)C(C)C)cc23)CC1 36357042 FMUSRWZWTUQGOV-FQEVSTJZSA-N 398.507 3.082 30 40 GGEB C=CCn1c(SCC(=O)NCCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3610344 LTXBEBDXDMLSOX-GFCCVEGCSA-N 391.562 3.387 30 40 GGEB COc1c2c(cc3c1[C@H](C/C(=N/O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 5727745 MBZNYRATEUMHTI-MOVLOHFLSA-N 390.480 3.378 30 40 GGEB biogenic CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 102686603 LWBZDPRKWQPRFQ-JOCHJYFZSA-N 398.507 3.294 30 40 GGEB CCO/N=C/c1ccc(OS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)c1 17696019 IZSBXCPULLOFMK-WOJGMQOQSA-N 394.405 3.050 30 40 GGEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1 205820148 LLPSEJMRXWPPQK-GHRIWEEISA-N 386.473 3.300 30 40 GGEB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 100420999 GQQMMIPCMCKSTF-FZMZJTMJSA-N 384.819 3.408 30 40 GGEB Cc1ccc([C@H]2C(C(=O)c3ccccc3O)=C(O)C(=O)N2CCCN(C)C)cc1 20310664 VDTPOZYOAIORSZ-FQEVSTJZSA-N 394.471 3.231 30 40 GGEB Cc1ccccc1-n1nnnc1SCC(=O)Nc1c(C#N)oc2ccccc12 7975774 MARQMGCGBOFXTE-UHFFFAOYSA-N 390.428 3.319 30 40 GGEB CCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OCC#N)cc3)cc2C1=O 23149701 VQRZLCYEVUWZJZ-UHFFFAOYSA-N 377.400 3.237 30 40 GGEB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118928360 XQVPPASTQTXMTK-WXLIAARGSA-N 388.504 3.380 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2 10513579 QPSRVXNYRVAKLM-UHFFFAOYSA-N 386.835 3.208 30 40 GGEB C#CCOc1c(Br)cc(/C=C2/SC(=S)NC2=O)cc1OCC 409338731 PBISZXFFUJWOSE-XYOKQWHBSA-N 398.303 3.349 30 40 GGEB COC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 13423878 STANNINUXFZXMK-BLRPHQBRSA-N 397.456 3.063 30 40 GGEB COc1ccc2c(CC(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)coc2c1 6156484 NIDAKFGMMRCZMQ-ZDUSSCGKSA-N 378.384 3.426 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 17843615 FNETXHZVXNGZJJ-UHFFFAOYSA-N 399.454 3.080 30 40 GGEB CO[C@@H]1CCN(Cc2ccc(F)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 96006538 AOXODUKPSCHDKW-ZWKOTPCHSA-N 377.460 3.201 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCN(Cc3cccs3)CC2)c1 84083783 JZMUMJUJYUPELJ-UHFFFAOYSA-N 396.560 3.429 30 40 GGEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])c(Br)cc1O 409073689 HTIUPOXZQUPNEY-CAOOACKPSA-N 381.186 3.303 30 40 GGEB CC(=O)O[C@H]1C2=C(C(=O)C(O)=C(C(C)C)C2=O)[C@@]2(C)CCCC(C)(C)[C@@H]2[C@@H]1O 33368636 PEMYQKCCIHCGME-FCIYXJNOSA-N 390.476 3.042 30 40 GGEB C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)CC[C@H]1O 12224616 LUOQHHOPNDKBMD-WZONZLPQSA-N 385.467 3.115 30 40 GGEB C=CCNS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(CC)cc2)ccc1F 40070115 PLQPIYXQTBCDRF-CQSZACIVSA-N 390.480 3.343 30 40 GGEB O=S(=O)(Nc1cccnc1)c1ccc(/N=C/c2ccc3c(c2)OCO3)cc1 100439472 XZAOPLQUYVIQSM-SRZZPIQSSA-N 381.413 3.362 30 40 GGEB CC(C)c1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 20236861 RFZQVSRKJJVUCA-UHFFFAOYSA-N 385.489 3.281 30 40 GGEB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1ccccn1 2409520 FQMFTPTXPWVJCI-DHRITJCHSA-N 399.458 3.116 30 40 GGEB CCOC(=O)c1[nH]c(C)c(/C(C)=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C 13476176 ANFQPMRTQPLNOA-ODLFYWEKSA-N 389.368 3.461 30 40 GGEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)NC3CC3)c3ccccc23)C1=O 409130681 UDDLKRRCCXLXGJ-YVLHZVERSA-N 381.457 3.142 30 40 GGEB N#Cc1ccc(CN2CCCN(CCC(=O)Nc3ccccc3F)CC2)cc1 25933972 YAPSUJZHAQEIDG-UHFFFAOYSA-N 380.467 3.234 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1 5488633 SNROMZNIKATNNH-YDJIHCHBSA-N 378.472 3.450 30 40 GGEB C/C(=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1cccs1 4964513 WSGFPLIGQAORQF-SFQUDFHCSA-N 394.478 3.277 30 40 GGEB Cc1nc2nc(O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccc(F)cc1 18219606 OFSWFDMDKALHPO-HNNXBMFYSA-N 393.422 3.478 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)cc1 218244645 RLXVOFFMCYTQJO-UHFFFAOYSA-N 388.489 3.219 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218339049 JBZKBZOGHKYRIT-AOIWGVFYSA-N 389.860 3.353 30 40 GGEB COc1ccc(C/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N/O)cc1 33745055 URHNFWAQTJNDJE-PAJXCOJRSA-N 398.459 3.425 30 40 GGEB biogenic C[C@H](c1ccccc1)N1C[C@@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585104789 TWBLZXWLWKVNCN-NTKDMRAZSA-N 389.499 3.370 30 40 GGEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccnc1 85409681 HEADUNHYPFJNQC-IBGZPJMESA-N 380.444 3.395 30 40 GGEB CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@@]2(O)C1=CC(=O)C(Cl)=C2Cl 5828578 NBAFDHRUNIOERP-LJQANCHMSA-N 394.254 3.226 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 7246443 REIONWMKHZCGPA-UHFFFAOYSA-N 377.462 3.089 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 24910720 LIDWRECOAUMRRV-UHFFFAOYSA-N 399.357 3.111 30 40 GGEB Cn1cc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c2ccccc21 28182425 ZGKLGHJVYWODEQ-MTJSOVHGSA-N 390.439 3.332 30 40 GGEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(C)cc1C 5370141 OQHFUICNNOATNX-NOJWBWKLSA-N 380.535 3.013 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2ccc3c(c2)OCO3)c1 15369835 MRIKLYXQDRGGCF-UHFFFAOYSA-N 379.460 3.411 30 40 GGEB C=CCNC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1 8294889 MMBMSDHYQIKOEV-UHFFFAOYSA-N 395.278 3.166 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1F 20502278 RYRNGADAHPIEFS-IBGZPJMESA-N 397.450 3.141 30 40 GGEB CCC(=O)OC1=C(C(=O)c2ccccc2)N(CC)S(=O)(=O)c2ccccc21 33316556 XZGYESCQNXHUAB-UHFFFAOYSA-N 385.441 3.216 30 40 GGEB COc1cc2c(c3oc(=O)c(CC(=O)N(C)CCC#N)c(C)c13)CCC(C)(C)O2 13689129 BDXOVRADWSEVAS-UHFFFAOYSA-N 398.459 3.128 30 40 GGEB N#Cc1nccnc1N1CCC(CNC(=O)c2cccc(C(F)(F)F)c2)CC1 206602891 WFOJGTLPKXQZEP-UHFFFAOYSA-N 389.381 3.013 30 40 GGEB COc1cccc([C@@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5324904 RSKDRTRGLQSHKV-SPLOXXLWSA-N 388.427 3.408 30 40 GGEB N#CN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccccc2Cl)C1=O 13573277 SPCSOILWWBNALP-HNNXBMFYSA-N 384.848 3.463 30 40 GGEB COc1ccc(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1OC 2753956 VLLJJJGOUHIKJE-UHFFFAOYSA-N 377.256 3.195 30 40 GGEB COCc1ccccc1/C(O)=N/S(=O)(=O)c1ccc(C#N)cc1C(F)(F)F 70017664 LCLKXADVXMTEIZ-UHFFFAOYSA-N 398.362 3.417 30 40 GGEB O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc(O)c(O)c1O 3247477 ZFAAARYFJDCGOF-ODCIPOBUSA-N 379.397 3.124 30 40 GGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc([N+](=O)[O-])c1 22608226 BUCQPQVWHAQINE-RTHLEPHNSA-N 393.325 3.473 30 40 GGEB O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1Cl 3539575 YLCOWAOMIZTYSO-INIZCTEOSA-N 387.892 3.499 30 40 GGEB Nc1nc2n(n1)[C@@H](c1ccnc3ccccc13)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18200646 RZLKXUXEVZIJJP-ODXCJYRJSA-N 398.426 3.417 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(CCC)s2)nnc1-c1ccco1 4814734 CSBCLBSABUAGGR-UHFFFAOYSA-N 390.494 3.259 30 40 GGEB COc1ccc(OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccn2)cc1 9340099 OEMHHTJCWMHHBA-UHFFFAOYSA-N 376.416 3.387 30 40 GGEB N#C[C@@H](C(=O)NCCc1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 95453900 CXLFDBJCGPRUGS-HNNXBMFYSA-N 381.432 3.336 30 40 GGEB Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1Cl 70462118 MYQNWXWOJDZYFR-UHFFFAOYSA-N 384.823 3.391 30 40 GGEB CC1=C/C(=N/NC(N)=S)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 17222924 JFUDBCXCGILAGW-PHOLXNHUSA-N 377.354 3.024 30 40 GGEB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C#N)cc1 5373424 OYOYLVXXLBTPBW-UHFFFAOYSA-N 395.440 3.224 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2ccccc2F)N2NN=NC2=N1 3634078 VZKYKALXCZAYHL-QGZVFWFLSA-N 393.378 3.042 30 40 GGEB C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3ccc4c(c3)OCO4)C(=O)O[C@@H]1C2 4086372 SUPCUEQUOHUVAQ-FBQPOFABSA-N 399.487 3.032 30 40 GGEB CCn1c(S[C@@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc2c1=O 6093864 HDBDVIYARSEWBQ-ZDUSSCGKSA-N 378.457 3.407 30 40 GGEB O=C(c1cccs1)N1CCC[C@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)C1 53526514 VCEMBBDBGUJMOH-LBPRGKRZSA-N 382.449 3.069 30 40 GGEB CC(=O)/N=C(\NCCc1c[nH]c2ccc(Cl)cc12)Nc1nc(C)cc(C)n1 5274258 YVULOWQZZYHWQY-UHFFFAOYSA-N 384.871 3.375 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(Br)c(OCC)cc2OCC)C1=O 409125222 COUGEJTYKLXQMM-UKTHLTGXSA-N 395.253 3.325 30 40 GGEB C=CCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2ccc(Cl)cc2)c1 408553966 AJDJXZZJEADNEL-UHFFFAOYSA-N 394.880 3.455 30 40 GGEB COc1ccc(Br)cc1C=NN1CCN(c2ccccn2)CC1 245241464 FFPPHRSSJJRTAY-UHFFFAOYSA-N 375.270 3.009 30 40 GGEB Cc1cccnc1CN1CCCC[C@H]1c1c[nH]c(=Nc2ccc(C#N)nc2)cn1 585293391 GNDJTSOOMXRPLC-NRFANRHFSA-N 385.475 3.339 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c21 12113566 FGKCDCUWMPUGMH-KBPBESRZSA-N 398.532 3.412 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 10460237 RTMXUEZBNWJUJP-KRWDZBQOSA-N 391.471 3.268 30 40 GGEB COc1cc(/C=N/n2c(=S)[nH]nc(C)c2=O)ccc1OCc1ccccc1 6685096 JHLWHKRHWGEJMC-RGVLZGJSSA-N 382.445 3.079 30 40 GGEB N#Cc1cccc(OCCN2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)c1 72293984 AOVRWBCLEWIRLA-NRFANRHFSA-N 391.471 3.365 30 40 GGEB Cc1cc(N(CCC#N)C(=O)CN2C(=O)c3ccccc3C2=O)ccc1Cl 12989519 WDKADHFQLYBQJY-UHFFFAOYSA-N 381.819 3.191 30 40 GGEB CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(CCC#N)c1ccccc1 13096724 HOPNEMAUVISNDA-UHFFFAOYSA-N 384.867 3.157 30 40 GGEB C=CCOc1ccc(Br)cc1/C=C\c1nc(O)c([N+](=O)[O-])c(O)n1 409343548 DVXBXXURHXIVKB-UTCJRWHESA-N 394.181 3.294 30 40 GGEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 16737214 HUZKUWIDLOJSHY-HXUWFJFHSA-N 395.455 3.436 30 40 GGEB NC(=S)N/N=C/c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 408751857 CXKOEJANEWSSRR-DNTJNYDQSA-N 397.287 3.178 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 32635462 JXZXVKQMBBVWAI-XSAFGROZSA-N 398.525 3.172 30 40 GGEB CC/N=C1\S[C@@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1CC 838766 SERPWHDDQUNOCN-UWENYHRYSA-N 384.299 3.118 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(Cc3nccc(OC)c3OC)c(=O)c21 12116045 OBNCMYXVGGNPBF-UHFFFAOYSA-N 396.472 3.368 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4ccc(C#N)cn4)C3)ccc2n1 2087043803 DSBWZWCRGCQOJT-MRXNPFEDSA-N 376.464 3.199 30 40 GGEB CCN(C[C@H](C)C#N)C(=O)COC(=O)c1cc2cccc(Br)c2o1 51178242 XDOZUOAGDVQUMC-LLVKDONJSA-N 393.237 3.360 30 40 GGEB O=C(CO/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)cc1F 2649024 SADRPNZBZAJKQI-QGMBQPNBSA-N 396.172 3.486 30 40 GGEB CCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccsc2c1=O 57425304 JCYAPWJXGQDAGU-UHFFFAOYSA-N 384.486 3.470 30 40 GGEB COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1 12659811 XUUAJBGMSDFLAK-WFTGQSOZSA-N 385.504 3.312 30 40 GGEB biogenic C=C(C)CN(CC)C(=O)COC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10886261 WSFMCMWHODLRLM-UHFFFAOYSA-N 399.466 3.472 30 40 GGEB CN1C(=O)c2ccccc2-n2c(nc3ccccc3c2=O)[C@@]12O[C@H]2c1ccccc1 3652996 TWDKBDSVUUKABK-GBXCKJPGSA-N 395.418 3.396 30 40 GGEB biogenic,in-vitro COc1ccc(-c2csc(C3=C(N)N(c4ccc(O)cc4)CC3=O)n2)cc1 13569402 ASSGZUMDENHQFX-UHFFFAOYSA-N 379.441 3.241 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccco1)c1c(ncn3nc(-c4ccncc4)nc13)O2 5348367 UPISJVSFICWKOR-KRWDZBQOSA-N 385.383 3.311 30 40 GGEB Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1 4851730 XZUHBXASTCSHHO-IBGZPJMESA-N 399.450 3.399 30 40 GGEB Cc1cc(N/N=C/c2cc(Cl)cc(Cl)c2O)nc(N2CCOCC2)n1 4811417 SADDIANSZYICMU-DJKKODMXSA-N 382.251 3.080 30 40 GGEB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)N[C@@](C)(C#N)C(C)C)n1 5997830 PHANHAJKRMUDDD-KRWDZBQOSA-N 393.900 3.280 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N(Cc1ccc2c(c1)OCO2)C1CCCC1 8225203 FSVPAHKHQIMUKE-UHFFFAOYSA-N 384.457 3.420 30 40 GGEB C=CCNC(=O)N1CC[C@@](C)(O)[C@@H](NC(=O)CC(C)(C)C)[C@@H]1c1cccs1 514289994 SUGKSBXJSPEWDY-ABSDTBQOSA-N 393.553 3.063 30 40 GGEB biogenic,in-vitro COc1cc(/C=C/C(=O)/C=C/c2cc(OC)c3c(c2)OCO3)cc2c1OCO2 96335769 ANMSMNWTKOXGBL-GGWOSOGESA-N 382.368 3.457 30 40 GGEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccnc2)s1 102743926 HWYLGPZXGOEDOO-MRPLLJTBSA-N 396.428 3.276 30 40 GGEB N#Cc1c(N)nc2nc(N3CCCCC3)[nH]c(=O)c2c1-c1ccc(Cl)cc1 22607264 HKCRUBNKUZIBRZ-UHFFFAOYSA-N 380.839 3.083 30 40 GGEB CNS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3cccs3)c2)c1 12860099 LTTGATYGPXBFNK-UHFFFAOYSA-N 396.493 3.308 30 40 GGEB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C 7478457 SMUARHBVGXMJJD-IBGZPJMESA-N 388.855 3.045 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 218334096 AMPWPPVNXAQBOG-ZJOUEHCJSA-N 383.469 3.316 30 40 GGEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3cccnc3)c2c1 7504482 ACVXZMLWKQTZED-FQEVSTJZSA-N 391.427 3.099 30 40 GGEB CCOC(=O)N1C[C@H](C)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C 31871150 UHQXUOPXEWVVTK-FMVACOBOSA-N 379.373 3.158 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccco2)/C1=C(\O)c1ccc(F)cc1 104190488 PWSGXGWDCFBMEB-SELCWUDQSA-N 395.390 3.127 30 40 GGEB CCOC(=O)[C@](C#N)(Cc1c(-c2ccccc2)[nH]c2ccccc12)NC(C)=O 1717601 KPRHVWUKDWVJAI-JOCHJYFZSA-N 375.428 3.339 30 40 GGEB Cc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C\c3ccc(O)cc3)n2)cc1 100140012 UEKOJIRGMNYPMZ-NDENLUEZSA-N 397.460 3.046 30 40 GGEB C[C@@H]1CCCC[C@@H]1NC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 13056652 HLTJXQFBTZVWLO-CJNGLKHVSA-N 394.566 3.022 30 40 GGEB CC(C)NC(=O)c1cccc2c1CCCN2CC(=O)Nc1ccc(C#N)cc1 8708460 XNZQZIWQPRNEFH-UHFFFAOYSA-N 376.460 3.088 30 40 GGEB N#Cc1cc(F)ccc1NC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 89768455 OLUKQBAUVWIDKW-AWEZNQCLSA-N 382.443 3.427 30 40 GGEB N#CCc1cc2ccccc2nc1N1CCN(Cc2cn3ccccc3n2)CC1 89873036 SGHMPFYOBAHMAN-UHFFFAOYSA-N 382.471 3.271 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C(\O)Nc2nc(CN3CCCCC3)cs2)cc1 22239251 BROXWHQGVSSFJR-UHFFFAOYSA-N 394.522 3.152 30 40 GGEB Cc1c(NC(=O)Nc2cccnc2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N 5336395 KJKWXNBZYLKHRK-UHFFFAOYSA-N 380.795 3.105 30 40 GGEB N#CC1(C(=O)N2CCCn3ncc(C(=O)Nc4cccc(F)c4)c3C2)CCCC1 1565556276 AURMIUJYQWPMQQ-UHFFFAOYSA-N 395.438 3.091 30 40 GGEB C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccccc1 32776962 AMXTWZRBCDZBLP-UHFFFAOYSA-N 385.537 3.223 30 40 GGEB Cc1cccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc3c2=O)c1 2624215 ZZHCTZXZJXHWRS-UHFFFAOYSA-N 392.484 3.158 30 40 GGEB CCOC(=O)COc1ccc(/C=N/NCc2ccccc2Cl)cc1OC 8811844 FEISYPVASCGXCH-SRZZPIQSSA-N 376.840 3.414 30 40 GGEB COc1ccc(OC)c(N/C(=N/C(=O)c2ccco2)Nc2nc(C)cc(C)n2)c1 18116972 JHSZHPVVALXZIG-UHFFFAOYSA-N 395.419 3.424 30 40 GGEB CCOc1ccc(N2C(=O)c3ccc(C(=O)N(CC#N)C4CC4)cc3C2=O)cc1 48274698 WTVRTQCPHIBMSJ-UHFFFAOYSA-N 389.411 3.014 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)cc(C)c1 3477278 HDXONJOFGYGAOX-UHFFFAOYSA-N 379.485 3.397 30 40 GGEB COc1ccccc1N(CCC#N)C(=O)CSc1nnc2n1CCCCC2 6097553 XQUMGXLDCIVSOW-UHFFFAOYSA-N 385.493 3.052 30 40 GGEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1sccc1C 5163389 LHUKXCVSBKBFNU-GZTJUZNOSA-N 396.494 3.441 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(O)cc1 6238813 QARRVLVCPJLIIW-LJQANCHMSA-N 397.427 3.016 30 40 GGEB biogenic Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(O)c2)no1 6428275 KTCPQQHKFHPDEM-KRWDZBQOSA-N 380.356 3.373 30 40 GGEB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCC#N 408819455 SHNQHSDPLNPRGU-QPEQYQDCSA-N 397.250 3.416 30 40 GGEB CN(C)S(=O)(=O)c1ccc(CON=C2c3ccccc3-c3ccccc32)o1 95953095 GGKZJNBFUROEEH-UHFFFAOYSA-N 382.441 3.480 30 40 GGEB C=C(Br)CN1CCC(Cn2cnc3cc(OC)ccc3c2=O)CC1 2086867337 LDXQNYYCNUPIKY-UHFFFAOYSA-N 392.297 3.026 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(Br)cc2)cc1 17138571 MVIKQGOVRUSCMS-OAHLLOKOSA-N 388.217 3.324 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc2c1CCCCC2 2619971 CXPLHGMRVXRCPE-UHFFFAOYSA-N 398.440 3.413 30 40 GGEB COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccnc1 714653 UFPSXUSZGJFIJN-SFHVURJKSA-N 393.418 3.175 30 40 GGEB COc1ccc(CCn2c(SCC#N)nc3ccccc3c2=O)cc1OC 2970078 CWXFOHCVNJFMOM-UHFFFAOYSA-N 381.457 3.272 30 40 GGEB CCCCCCCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 101463375 OHEJGEDCQKIVKF-UHFFFAOYSA-N 389.544 3.410 30 40 GGEB C[C@H](C#N)OC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 23417481 LLFARUYZTYRQTB-SNVBAGLBSA-N 382.800 3.349 30 40 GGEB C[C@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)Nc1sccc1C#N 25111109 VEGNPPPYJREFAV-LKFCYVNXSA-N 376.821 3.147 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1cnccn1 2395667 TXVPPZKWAWKEDM-UHFFFAOYSA-N 380.477 3.214 30 40 GGEB Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)S1 6896035 CNATWOCLFCYFDM-ZDLGFXPLSA-N 390.468 3.327 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1 20445192 OTMHBDCEIHWQHZ-WMEZAZGNSA-N 380.535 3.033 30 40 GGEB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC#N)C(=O)NC2=S)cc1C 408810464 JCALVVBADWTWAH-SFQUDFHCSA-N 391.452 3.037 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 32507090 GVKCSCILRPRGBU-SVQNHAPJSA-N 380.535 3.095 30 40 GGEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218419251 OJTOXKODBHAJFI-RYRKJORJSA-N 375.833 3.183 30 40 GGEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1cccc(Br)c1O 2270838 XTTGHGWJYGUUGJ-DNTJNYDQSA-N 383.205 3.228 30 40 GGEB CCc1ccc([C@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 19961320 JYHPNWQMOBYTRO-IAGOWNOFSA-N 385.427 3.300 30 40 GGEB C=CCOc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccncc3)C2=O)cc1 2447053 CJLGMFXIPYNQRY-FOWTUZBSSA-N 397.481 3.193 30 40 GGEB CC(=O)N1CCc2c(sc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c2C#N)C1 4275200 HXKUUULKJQWKHU-QPJJXVBHSA-N 396.428 3.084 30 40 GGEB C=CCNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(CC)cc2)ccc1F 40070116 PLQPIYXQTBCDRF-AWEZNQCLSA-N 390.480 3.343 30 40 GGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2c(C)nn(Cc3ccccc3Cl)c2C)C(=O)O1 102500210 NSDQUQDQEXPWSO-IBDYFIJFSA-N 398.846 3.430 30 40 GGEB COc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O 4957295 APMAFUSCZWLYPP-XOMICKMZSA-N 387.436 3.424 30 40 GGEB Cc1cccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccc4c(c3)OCO4)S2)c1 57497264 XXMJJBHTEZINPN-SLNYWTKHSA-N 397.456 3.314 30 40 GGEB CC1CCC(C#N)(N(C)C(=O)CN(C)CC(=O)Nc2ccc(Cl)cc2)CC1 12774332 NSLQJTPBUGCLND-UHFFFAOYSA-N 390.915 3.141 30 40 GGEB C=CCNC(=O)C[C@H](NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 12765444 TTXPBWNTZFMJAK-KRWDZBQOSA-N 378.881 3.052 30 40 GGEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1/N=C/c1c(Cl)cccc1Cl 13727717 MACWCDGLSNZICE-GZIVZEMBSA-N 386.242 3.416 30 40 GGEB Cc1[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1C(=O)OC(C)C 7413424 YQNVNEIXWSJODI-CQSZACIVSA-N 397.431 3.252 30 40 GGEB C=CCNS(=O)(=O)c1ccc(OCC)c(NC(=O)c2cccc(Cl)c2)c1 408558277 QCUXOKHQIDQXOY-UHFFFAOYSA-N 394.880 3.455 30 40 GGEB COc1ccc2nc(Cl)c(/C=N/C3C4(C)CN5CN(C4)CC3(C)C5)cc2c1 79483819 VRBNERYQCIVOQA-LIMNOBDPSA-N 384.911 3.299 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)C1CCCCC1)OCO3 35311922 XEYGURQPCRIWPI-UHFFFAOYSA-N 380.448 3.334 30 40 GGEB N#CCOc1ccccc1/C=C1\S/C(=N\c2cccc(C(=O)O)c2)NC1=O 13913988 UMRGYJDHUFSVNR-WJDWOHSUSA-N 379.397 3.179 30 40 GGEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)NCCc1ccccc1 6927350 UNOUHTIYFPIHHM-UHFFFAOYSA-O 380.899 3.401 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102934775 JSFYRPVCRIOLJS-BCHZJAEDSA-N 381.403 3.426 30 40 GGEB N#Cc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 63352416 JFBNERKYYWPXAJ-LEWJYISDSA-N 378.451 3.475 30 40 GGEB CSc1ccc([C@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 4385916 WFNQSOPQLQBGGY-AWEZNQCLSA-N 388.452 3.239 30 40 GGEB COC(=O)/C=C1/S/C(=N\Cc2cccs2)N(Cc2cccs2)C1=O 4699815 ZMMKJGRQPDULFQ-NINYVLCNSA-N 378.500 3.498 30 40 GGEB CCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)cc1 5997549 IFYJHBRWLMDFCB-OAHLLOKOSA-N 383.473 3.455 30 40 GGEB C=CCN1C(=O)COc2ccc(NC(=O)c3cc(=O)c4cccc(C)c4o3)cc21 32593364 CNSXWSQBNXERDS-UHFFFAOYSA-N 390.395 3.265 30 40 GGEB C=C(C)COc1ccc([C@H](CC(=O)OC)c2oc(C)cc(=O)c2O)cc1OC 96116325 WMNJAKAXXVTXIV-HNNXBMFYSA-N 388.416 3.312 30 40 GGEB biogenic C=CCn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3 5274475 KMFJTBJJGFHYOD-UHFFFAOYSA-N 382.485 3.310 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ncccc4C#N)C3)ccc2n1 2087043806 VMFPYEFBWFVKSA-HNNXBMFYSA-N 376.464 3.199 30 40 GGEB N#Cc1ccccc1NC(=O)CCSc1ccc(C(=O)N2CCCC2)cn1 32907213 PCAOFGRYATXYKC-UHFFFAOYSA-N 380.473 3.310 30 40 GGEB N#Cc1c(CN2CCN(C(=O)c3ccccc3Cl)CC2)cn2ccccc12 25004692 FNGXMXOEYAIRQY-UHFFFAOYSA-N 378.863 3.422 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 105464968 GEQAWOZJEYGDBP-JROWVSLJSA-N 389.521 3.264 30 40 GGEB C=CCNC(=O)c1c(N)n(-c2ccc(N(C)C)cc2)c2nc3ccccc3nc12 2290269 WTRGRXIRJQSIEP-UHFFFAOYSA-N 386.459 3.138 30 40 GGEB COc1cc(/C(O)=N/S(=O)(=O)c2cccnc2)ccc1OC1CCCC1 48532805 YSPYRYJJGYARIM-UHFFFAOYSA-N 376.434 3.105 30 40 GGEB C=CCN(CCOc1ccc(F)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1 12948627 USUPOIWKWDUSFK-UHFFFAOYSA-N 392.452 3.040 30 40 GGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3[C@H]3O[C@]132 4086304 DPJQDKPYAYDAMH-SKBCMGGYSA-N 387.495 3.483 30 40 GGEB biogenic COc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Br)cc1 4342144 DKGILHXYSNIDHB-RGVLZGJSSA-N 399.248 3.450 30 40 GGEB N#CCSc1nc2ccc(NC(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408751305 YYOKCULTCSISHF-NBLIUIFLSA-N 385.470 3.373 30 40 GGEB COc1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408743337 ZZGBUPZSLUOOHZ-NPNVKNKFSA-N 387.848 3.115 30 40 GGEB N#Cc1c(F)cccc1-n1ccc(NC(=O)c2ccc([C@@H]3CCC(=O)N3)cc2)n1 1515219732 LJZJOYDUCMBSAC-KRWDZBQOSA-N 389.390 3.086 30 40 GGEB C=CCNC(=O)COc1cccc(-c2noc(-c3ccc(OCC)cc3)n2)c1 33327419 SIGXGAFRBILYPV-UHFFFAOYSA-N 379.416 3.483 30 40 GGEB C=CCN1C(=O)[C@@]2(CC(=O)Nc3c2cnn3-c2ccccc2)c2cccc(C)c21 32105961 BUIKTXGJGKKLRO-QHCPKHFHSA-N 384.439 3.342 30 40 GGEB CCCCOc1cccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462133 DEMKOTVTZKQHMF-UHFFFAOYSA-N 378.476 3.282 30 40 GGEB N#Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(F)c1 15009360 MEZJYISQPZRKKA-UHFFFAOYSA-N 383.404 3.305 30 40 GGEB N#Cc1ccc(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)c(F)c1 32860112 CTJOMPOKPGSARA-UHFFFAOYSA-N 399.491 3.435 30 40 GGEB C#CCN(CC(=O)Nc1sccc1C(=O)OCC)[C@@H]1CCc2ccccc21 32935651 HUCDVLLIWHQKRS-GOSISDBHSA-N 382.485 3.486 30 40 GGEB CCNC(=S)N/N=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 106108850 WNFYJBLBWPWIDG-SRZZPIQSSA-N 381.461 3.416 30 40 GGEB CC(=O)O[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 118927855 JPBGWEMFLWGZNK-HLWYUKQTSA-N 390.520 3.029 30 40 GGEB CN(CCc1ccccn1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 3999796 JMHALWDHIFYNGT-NGJIECEZSA-N 384.520 3.083 30 40 GGEB biogenic Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(CC#N)cc3)C2)cc1 64744332 SORXXEYFOUOFLY-GOSISDBHSA-N 397.500 3.101 30 40 GGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21 4545112 LACCAEXCQDJNAK-GOSISDBHSA-N 390.233 3.344 30 40 GGEB Fc1cccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1 4747610 WTFLKDFPEKNHTP-HYARGMPZSA-N 393.426 3.037 30 40 GGEB C[C@H]1CCc2sc(-c3nnc(SCC(=O)N(C)CCC#N)o3)cc2C1 7129731 SFOBXQHJXYSBSW-NSHDSACASA-N 376.507 3.387 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)c1 408614436 CFPNTIRGGJMRNB-UHFFFAOYSA-N 394.880 3.310 30 40 GGEB Cc1cc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc(C)c1Cl 70462180 GMONKFJLKJDMSJ-UHFFFAOYSA-N 398.894 3.138 30 40 GGEB COc1cc2cc(C#N)c(SCC(=O)Nc3nccs3)nc2cc1OC 35288739 YYYWMDNZMLSFRH-UHFFFAOYSA-N 386.458 3.311 30 40 GGEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225078701 MVMMJFNLTTWFPN-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@H](C)C2)n1 225924214 QQABZODLWKMQHZ-HOTGVXAUSA-N 388.585 3.422 30 40 GGEB CC(C)COC(=O)c1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)cc1 5009288 IRFDDBIXGNNQMV-UHFFFAOYSA-N 390.443 3.092 30 40 GGEB CC/N=C(\S)N/N=C/c1cc(Br)cc(Br)c1OC 8671181 HMRIGSYVGFSWIH-GIDUJCDVSA-N 395.120 3.449 30 40 GGEB CC1=CC(=O)/C(=C(/C)Nc2ccc(C(=O)NCc3ccccc3)cc2)C(=O)O1 104162544 BWHYOGGAMPKGKM-HMMYKYKNSA-N 376.412 3.332 30 40 GGEB O=C(COC(=O)c1ccccc1N/C=C/C(=O)C(F)(F)F)NC1CCCCC1 3222069 RAEMYZVDJJFIBN-ZHACJKMWSA-N 398.381 3.349 30 40 GGEB COc1cc(OC)cc([C@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2nccn2C)c1 28620249 WBPRASQSCBJOQM-IBGZPJMESA-N 393.403 3.419 30 40 GGEB CCOc1cc2c(cc1CNC(=O)c1ccc(NC(=O)CC#N)cc1)O[C@H](C)C2 12975298 HYZUEVZMDXPPAG-CQSZACIVSA-N 393.443 3.191 30 40 GGEB CCOc1cc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 13535726 NPGBVOQBCJDFFM-XCLFUZPHSA-N 392.415 3.391 30 40 GGEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCCOc1cccc(C)c1 4207681 CPVWYPFEKJNSGL-SRZZPIQSSA-N 393.896 3.282 30 40 GGEB COc1cc(Br)c(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1OC 408749694 IVFVLRIFOANWCG-IDUWFGFVSA-N 381.186 3.216 30 40 GGEB COc1cc(C#N)ccc1Oc1ccc(NC(=O)N(C)[C@H]2C[C@@H](C(N)=O)C2)cc1 599739612 OMTMAOKLLPNBAH-FZNQNYSPSA-N 394.431 3.087 30 40 GGEB C=CCc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OC 14397548 PUJPXLPFCVAUIY-UHFFFAOYSA-N 377.444 3.474 30 40 GGEB CCOC(=O)c1cnn2c(O)cc(CN(CC)[C@H](C)c3ccc(C#N)cc3)nc12 103427204 NTBMFRPSKBZROU-CQSZACIVSA-N 393.447 3.066 30 40 GGEB CCC(CC)CS(=O)(=O)OCCCCOS(=O)(=O)CC(CC)CC 104334358 JEGVLCPJZPTXST-UHFFFAOYSA-N 386.576 3.332 30 40 GGEB COc1cc(C#N)ccc1OC/C(O)=N/c1nc(-c2ccccc2OC)n[nH]1 58216673 DDIYPQAMFWVUKY-UHFFFAOYSA-N 379.376 3.028 30 40 GGEB N#Cc1ccccc1S(=O)(=O)NCc1ccc(C(=O)Nc2ccccc2)cc1 14123032 TYOLXFGMQMWOBU-UHFFFAOYSA-N 391.452 3.289 30 40 GGEB Cc1nn(CC(=O)c2cc(C)n(Cc3cccs3)c2C)c(=O)c(C#N)c1C 14236888 JXJSRONYGOWDIB-UHFFFAOYSA-N 380.473 3.143 30 40 GGEB N#Cc1cc2c(nc1SC[C@H](O)C[S@](=O)Cc1ccccc1)CCCC2 5427615 JPSZIRJWBPXYBY-QYBDOPJKSA-N 386.542 3.234 30 40 GGEB COc1cc(SC)ccc1C(=O)OCC(=O)N(C)C1(C#N)CCCCC1 4803957 XZRJGISCKLXZJA-UHFFFAOYSA-N 376.478 3.259 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cc1 9376820 MSFMYWWKLQXJRU-QGZVFWFLSA-N 388.514 3.118 30 40 GGEB CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118917768 MVSNUOQYIMBCLK-GGMBOLROSA-N 390.520 3.412 30 40 GGEB CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@@H]2C)cc1OC 96920044 OZCVCZKTXWCIFD-ZMTLZGASSA-N 399.418 3.438 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 36638755 OOTWNSREWGCKNL-VXPFYOMVSA-N 394.562 3.458 30 40 GGEB C=CCn1c(C)nnc1S[C@H]1CCCCN(C(=O)c2ccc(F)cc2)C1=O 40159094 CPHZVMQGNXYTLQ-INIZCTEOSA-N 388.468 3.225 30 40 GGEB C=CCN1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(O)=NC1=S 1202947 TUYBGJKHLVEMKO-RVDMUPIBSA-N 382.401 3.039 30 40 GGEB CCOc1ccc(-c2nc(C#N)c(N3CCN(C(=O)c4ccco4)CC3)o2)cc1 12418422 YAKKMRKFKDEFHC-UHFFFAOYSA-N 392.415 3.167 30 40 GGEB N#C[C@@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCC1 2269082 FUVYAXJVGKXUDA-GOSISDBHSA-N 385.471 3.196 30 40 GGEB CCCCS/C(=N\c1c(C(=O)NC)ncn1CC(C)=O)Nc1ccccc1 13284106 KVFFAUBSKQXTHM-UHFFFAOYSA-N 387.509 3.465 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cc1 6640066 YHTZUQCBUIARIL-SFHVURJKSA-N 380.448 3.089 30 40 GGEB N#Cc1ccccc1NC(=O)COC(=O)c1cc(=O)c2cc(Cl)ccc2o1 7761216 VRAZOEGOTCYRBG-UHFFFAOYSA-N 382.759 3.114 30 40 GGEB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 409096527 JYUQZVRNWNZAOS-LKBVRNOZSA-N 382.397 3.416 30 40 GGEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc(C(F)(F)F)c1 408529089 BZWJDFCHXSZYOM-UOVKNHIHSA-N 393.365 3.291 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)c1cccc(F)c1)OCO3 35311925 ZFTYSMJGPUDXDE-UHFFFAOYSA-N 392.390 3.206 30 40 GGEB C[C@@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1sc2c(c1C#N)CCCC2 13572743 JDRHKAMDFNJKDI-SECBINFHSA-N 384.490 3.284 30 40 GGEB Cc1ccc(C(=O)OCC(=O)N(CCC#N)Cc2ccco2)cc1-n1cccc1 40038981 UKJRYDSATLDDIV-UHFFFAOYSA-N 391.427 3.478 30 40 GGEB COc1ccc(C(=O)[C@H](C#N)c2nnc3n2CCCCC3)cc1Br 40089602 DAGLTZAXXAVUOW-LBPRGKRZSA-N 389.253 3.266 30 40 GGEB Cc1cc(N(CCC#N)C(=O)Cn2cnc3sccc3c2=O)ccc1Cl 31641307 WDJUUSWRLRJEOU-UHFFFAOYSA-N 386.864 3.367 30 40 GGEB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)C1 102205951 QFHQNYNKVWEMBX-HTAPYJJXSA-N 397.475 3.123 30 40 GGEB CCc1cccc(CC)c1N1/C(=N\C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@@H]21 101317184 OJCSOSPLTTZJRK-BSMWSGRKSA-N 394.562 3.069 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccc(O)c1 102859996 WMTAUALCBANHTR-HVESIFNPSA-N 387.819 3.114 30 40 GGEB CCOC(=O)COc1ccc(/C=N/NCc2ccccc2OC)cc1OCC 20763157 JXIKUOJBMSEBHM-LPYMAVHISA-N 386.448 3.160 30 40 GGEB C=CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(CC)c3)C2)s1 24829416 BSWZAPNRXLYRCC-CYBMUJFWSA-N 388.518 3.370 30 40 GGEB COC(=O)c1cccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)c1 408845648 KXCRMSHOPUTDKU-ODLFYWEKSA-N 393.237 3.416 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1Cl 32639269 ASGHMMKAUAVWKZ-LWPKIGSASA-N 393.317 3.005 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)c(C#N)c1 225775316 CWXYCIUYDQFQLF-UHFFFAOYSA-N 382.391 3.310 30 40 GGEB COc1ccc(-c2nn3c(SCC#N)nc4cc(F)ccc4c3nc2=O)cc1 95946441 PYDQRITTZRPIQD-UHFFFAOYSA-N 393.403 3.068 30 40 GGEB CC(C)[C@H](NC(=O)N1CCc2c(CC#N)cccc2C1)c1nnc2ccccn12 598980565 GGLQBBWKQWBOSI-FQEVSTJZSA-N 388.475 3.260 30 40 GGEB C=C[C@@H](C)n1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)c(C)n23)n(C)c1=O 5076378 CJQMXJSANACSBB-LLVKDONJSA-N 397.866 3.156 30 40 GGEB C[C@H](Sc1ncnc2nc[nH]c12)C(=O)Nc1sc2c(c1C#N)CCCC2 13572748 JDRHKAMDFNJKDI-VIFPVBQESA-N 384.490 3.284 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)CCn2cnc3ccccc32)cc1 10237899 SMBZIJAARQNHTO-UHFFFAOYSA-N 385.489 3.063 30 40 GGEB O=C(CC1CCCC1)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 8355483 ZZJHUMVAUYCTPC-UHFFFAOYSA-N 377.510 3.456 30 40 GGEB C[C@@H](C#N)Sc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 4325749 DGMADDVBAVHRPV-ZDUSSCGKSA-N 389.440 3.499 30 40 GGEB CCc1n[nH]c(=S)n1/N=C/c1cccc(/C=N/n2c(CC)n[nH]c2=S)c1 6497114 MRDDYRVAEKKHNE-BEQMOXJMSA-N 386.510 3.084 30 40 GGEB COc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)S2)cc1 18272536 GTGGNNJXADTDNR-VBKFSLOCSA-N 385.445 3.016 30 40 GGEB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccccc3C#N)c2c1=O 65113373 MIILEESLESGIOI-UHFFFAOYSA-N 397.438 3.395 30 40 GGEB CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@]12C 70691624 FTBAMSZTFXXEOD-NDRFAMNESA-N 398.499 3.180 30 40 GGEB biogenic S=C(NCc1ccccc1)N/N=C\c1cc2c(cc1Br)OCO2 33689302 JJTWBYIXCPFLCC-OCKHKDLRSA-N 392.278 3.176 30 40 GGEB CCOc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)cc1 256046763 HXJSSQXCQNHVHE-UHFFFAOYSA-N 392.438 3.003 30 40 GGEB C[C@@H](C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)n1cnc2ccccc21 593356347 XPJDOPYPGGAWFB-KRWDZBQOSA-N 387.487 3.250 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)ccc2O)c([N+](=O)[O-])c1 5511843 DOCJUQMGOWERPU-VIZOYTHASA-N 381.142 3.417 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccccc2F)cc1 102539950 IEQVTOSTDKLUOX-LFVOPCPISA-N 397.402 3.421 30 40 GGEB C=CCc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCC(=O)O 59248811 CYNWNSXJBPUGML-RGVLZGJSSA-N 385.376 3.241 30 40 GGEB C#CC(CC)(CC)NC(=O)COC(=O)CCc1ncc(-c2ccc(C)cc2)o1 14803014 ZAXDZYMQJSBYCS-UHFFFAOYSA-N 382.460 3.434 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1 5799853 GTEYUONHSKHAGN-NHFXJNLRSA-N 394.471 3.069 30 40 GGEB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 5793944 HEORAWGSWCOWNF-SANMLTNESA-N 390.848 3.135 30 40 GGEB N#Cc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408627988 PCUYFHFOSHWWPS-UHFFFAOYSA-N 395.444 3.193 30 40 GGEB COC(=O)CCCN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 79022086 BXQNFTZQNBDTTC-UHFFFAOYSA-N 377.488 3.296 30 40 GGEB N#CC1(C#N)[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 218211565 KTTKEXCZMJZMOW-JKSUJKDBSA-N 387.258 3.422 30 40 GGEB N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(c4ccccc4F)CCC3)C2)nc1 593422184 DWESDZSQTLNPPO-KRWDZBQOSA-N 394.450 3.377 30 40 GGEB C#CCOc1ccccc1CNC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 72285294 OWVKZWYUYWPMRM-UHFFFAOYSA-N 381.407 3.286 30 40 GGEB CN(C)c1ccc(/C=C2\S/C(=N\N=C\c3cccc([N+](=O)[O-])c3)NC2=O)cc1 5214867 VEDIIVVFOIJIEH-XAJBPTSZSA-N 395.444 3.255 30 40 GGEB C=C(C)Cn1nc(C)c(CN2CCC(O)(c3ccc4c(c3)OCO4)CC2)c1C 12188202 HKPDMKBTAXBMPD-UHFFFAOYSA-N 383.492 3.288 30 40 GGEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC)C1 19498684 ODYMMIGQFBJHKH-HSZRJFAPSA-N 392.503 3.007 30 40 GGEB O=C(C[C@H]1S/C(=N\N=C\C=C\c2ccccc2)NC1=O)Nc1ccccc1 2546191 MVBXEZFORJPHIC-WFZXIQFPSA-N 378.457 3.302 30 40 GGEB CC1(C)S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O 4538022 FQAUYATVNOTCMF-KNTRCKAVSA-N 378.450 3.429 30 40 GGEB CN(C)c1nc(N/N=C/c2cccc([N+](=O)[O-])c2)nc(Nc2ccc(F)cc2)n1 107995065 DLFVNTCDIKTYCT-RGVLZGJSSA-N 396.386 3.175 30 40 GGEB COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OC)c1OC(C)(C)C 409407165 LLBDQQDWNARTAQ-DFEHZGFQSA-N 398.459 3.022 30 40 GGEB CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O 409037103 XLADAIPGIMCWAB-UHFFFAOYSA-N 398.415 3.400 30 40 GGEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)c1 408939395 SCFHXZPSXMUUMQ-RGEXLXHISA-N 392.411 3.317 30 40 GGEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225022669 XODCBEHNZJIGET-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c(OC)c1 852332 KIRGBLQQTVCISL-HXUWFJFHSA-N 381.428 3.231 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccccn1 102730727 QGBILQYUROVHMD-SELCWUDQSA-N 399.516 3.297 30 40 GGEB CC1(C)Cc2c(C#N)c(OCC(=O)N3CCCC3)nc(-c3ccccc3)c2CO1 12324921 PTXRTSSXSLKSLL-UHFFFAOYSA-N 391.471 3.473 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccncc1)n1nc(SCc3ccccn3)nc1N2 18198890 JIEBUYZANCZJSB-SFHVURJKSA-N 390.472 3.382 30 40 GGEB CCOc1cccc(/C=N/c2ccc(N3CCOCC3)c(C(=O)OC)c2)c1O 102414059 KRHMLIOHKJDEMZ-HYARGMPZSA-N 384.432 3.165 30 40 GGEB CC(=O)OCC(=O)C1=CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 70691623 FTBAMSZTFXXEOD-NETPRFBOSA-N 398.499 3.180 30 40 GGEB biogenic NC1=C(c2nc(-c3ccccc3)cs2)C(=O)CN1/N=C/c1cccc(O)c1 13689147 LEMUPUPYZCTMLR-LSHDLFTRSA-N 376.441 3.062 30 40 GGEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)cc1)C1=C(CC(C)(C)CC1=O)N2 4248279 IZFGDNWTIXNTKG-INIZCTEOSA-N 379.460 3.066 30 40 GGEB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCC#N 408816945 UUWXNDFLQJUHHN-XFFZJAGNSA-N 383.223 3.026 30 40 GGEB C#CCC(C)(C)OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 28295170 FKNHQHYQWWRDFL-SFHVURJKSA-N 384.442 3.007 30 40 GGEB COC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc(C#N)c(Cl)c2)c(OC)c1 7623227 DVDIFOQCWDWQSP-NSHDSACASA-N 388.807 3.413 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1C=Nc1ccccc1 408530401 FGNJSQXFAQJCEA-AWEZNQCLSA-N 375.306 3.307 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2ncccc2c1=O 32885495 XFCPJZBIJBUIGF-UHFFFAOYSA-N 380.473 3.325 30 40 GGEB COc1ccc(/N=C2\S[C@@H](C(N)=O)CC(=O)N2CCCc2ccccc2)cc1 872373 UNRSXNSAPNUJLZ-GLEDVZQVSA-N 397.500 3.135 30 40 GGEB CCOC(=O)N1CCc2c(sc(NC(=O)Cc3cccs3)c2C#N)C1 22673123 LJUURZKYJFGMSR-UHFFFAOYSA-N 375.475 3.377 30 40 GGEB C=CCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc(OC)c1OC 29770831 JRMFBKQTBCBQPW-LBPRGKRZSA-N 382.416 3.404 30 40 GGEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)cc1OC 852329 MMMAVAZAVJFBQM-FQEVSTJZSA-N 381.428 3.231 30 40 GGEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@H]2c2cccnc2)no1 102511436 INKDOQNXWVGHNU-GROYHEBESA-N 379.347 3.143 30 40 GGEB CCC(=O)C1=C(c2cccc(OC)c2)N(C(=O)CC)n2c(CC)nnc2S1 4518353 DUKNQMDITCXUDT-UHFFFAOYSA-N 386.477 3.177 30 40 GGEB N#C[C@@H](C(=O)c1ccc(S(=O)(=O)C(F)F)cc1)c1nc2ccccc2[nH]1 41497739 IXRNLSSBWVQILL-LBPRGKRZSA-N 375.356 3.049 30 40 GGEB Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc2c(c1)OCO2 44974064 MSCGHUZGANDZAT-INIZCTEOSA-N 379.416 3.008 30 40 GGEB CCOC(=O)[C@](Cl)(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 2275340 YRMNVTUWZMPAIT-NSHDSACASA-N 399.621 3.172 30 40 GGEB CN(Cc1cccc(Cl)c1)C(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C 12742834 UAHTYOXDVZAMBN-NVMNQCDNSA-N 394.924 3.330 30 40 GGEB NC(=O)CSc1ccccc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 12781412 QJBMGFTXOPRCPQ-UHFFFAOYSA-N 392.402 3.064 30 40 GGEB C[C@@H]1c2cccn2CCN1Cc1nc2sc3c(c2c(=O)n1CC#N)CCCC3 14201333 HPXCLRXFMNIMAG-CQSZACIVSA-N 393.516 3.239 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccc(F)cc1 6584867 YPKUZIQZSIOKDP-YXKDWKSPSA-N 392.433 3.266 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@@H]2c1ccsc1 14944768 XQRURRVDYROTDP-VBHSOAQHSA-N 385.441 3.135 30 40 GGEB N#Cc1cnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nc1N 22031439 WGRMNRIWKPKFGF-UHFFFAOYSA-N 377.429 3.454 30 40 GGEB CCOc1ccc(-n2c(SCC#CCOC)nnc2-c2cccnc2)cc1 89267743 ZUODNIYOGRWRSU-UHFFFAOYSA-N 380.473 3.470 30 40 GGEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225023203 BYNUEHZFXSCIHG-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(C)(C3CC3)CC2)cc1 576269103 XBODBRAROMKPRT-AWEZNQCLSA-N 375.494 3.416 30 40 GGEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)/C=C/c2ccccc2)c2ccccc21 1889174 NFPIWRRZGGQYNB-RAEPVASNSA-N 388.423 3.140 30 40 GGEB CCc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(OCC(=O)O)cc2)cc1 4576393 VNVZDYBUFJQZKU-FQEVSTJZSA-N 395.411 3.201 30 40 GGEB CC(C)c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C 1368445 ZARIPUBKXZFTRX-UHFFFAOYSA-N 375.523 3.481 30 40 GGEB CN(C)/C=C1\C(=O)c2ccc(Cl)cc2N(Cc2ccccc2F)S1(=O)=O 103132093 NOEOMVAVSWAUHQ-GZTJUZNOSA-N 394.855 3.415 30 40 GGEB O=C(Nc1cccc(/C(O)=N/c2nc(-c3ccccn3)n[nH]2)c1)c1cccnc1 53527056 PCDHGHWVKWFZIL-UHFFFAOYSA-N 385.387 3.150 30 40 GGEB CCOC(=O)c1ccc[n+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 6535571 CCYBNRMIEWUKEV-UHFFFAOYSA-O 387.765 3.462 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N 6610797 YIFLRTXNRCSDFA-JOCHJYFZSA-N 375.428 3.437 30 40 GGEB C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)CN(C)c2ccc(C#N)cn2)cc1 67806032 XKUWRBNGVXVCSX-INIZCTEOSA-N 391.475 3.043 30 40 GGEB COc1cc(SC)ccc1C(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 16149100 WYUGFNXBRNZGKI-LJQANCHMSA-N 381.501 3.440 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)CN1CCC(C(=O)O)(c2ccccc2)CC1 408546872 HBBVQQCJFATGLI-UHFFFAOYSA-N 397.862 3.269 30 40 GGEB COc1cc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)ccc1O 18197627 RCIXLYFJZGXGKD-BUXKBTBVSA-N 394.456 3.470 30 40 GGEB CCNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N 12421308 VUVHFLFXZFFPFW-UHFFFAOYSA-N 396.472 3.466 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccncc2)/C1=C(\O)c1cccs1 102873219 YZLJMOFIYSSYFK-GROYHEBESA-N 377.425 3.160 30 40 GGEB COc1cc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1O 104709351 GPCOMKCPVNPELV-CIAFOILYSA-N 383.429 3.347 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 59502157 QWAOFIGMFCYPGG-VIZOYTHASA-N 381.142 3.417 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)CSc3ccc4c(c3)CCC4)CC2)cc1 12568912 CWOYXSYFVOMPSC-UHFFFAOYSA-N 391.540 3.483 30 40 GGEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4cccnc4)c(=O)n2C3)c1 20503261 UIJGKVJKZOIJNU-PZJWPPBQSA-N 382.467 3.401 30 40 GGEB biogenic,in-vitro C=CCn1c(SCC(=O)NC(C)C)nc2sc3c(c2c1=O)CC[C@H](C)C3 3458668 AEYJPFPJNKEUMC-LBPRGKRZSA-N 391.562 3.386 30 40 GGEB N#Cc1ccc(-c2csc(NC(=O)[C@@H]3Cc4ccccc4C(=O)O3)n2)cc1 12977293 GWZVAYBTQKJUEV-KRWDZBQOSA-N 375.409 3.402 30 40 GGEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 408676421 NTXBEVNQOAVPMI-UHFFFAOYSA-N 394.880 3.130 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1 408602204 COVHYNADKOJQOU-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Cl)cccc1Cl 32634345 ZMAXDVAVGLQQQJ-UBNBHNNWSA-N 393.317 3.005 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224651951 JNLKOKMKOQWRSN-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@H]1c1ccc(C#N)cc1 12554336 LJUGXRBAGKNVJH-IBGZPJMESA-N 393.468 3.450 30 40 GGEB COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)S2)cc1 6398355 XBXGQGSQTKTKNX-MHWRWJLKSA-N 384.413 3.050 30 40 GGEB Cc1cncnc1N1CCC[C@@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1 1565541777 XOTYFVFCOBNVFI-JOCHJYFZSA-N 375.476 3.322 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccccc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673903 RMGUNHOCPRYYJC-QGZVFWFLSA-N 376.460 3.325 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C/c2c(C)nn(-c3ccccc3Cl)c2Cl)n1 18158912 BRYGUYDFOAUGPN-UFWORHAWSA-N 377.235 3.325 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 102430455 NPXNUJQXYSFSIK-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2ccccc2oc1=O 3358917 DKDSVKWMMHMSLQ-UHFFFAOYSA-N 382.759 3.114 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)NC(=O)NCC)nnc1-c1ccc(Cl)cc1 3534748 IKPWRZCUKMOWRV-LLVKDONJSA-N 393.900 3.111 30 40 GGEB CC1CCN(c2nnc(SCC(=O)Nc3ccccc3C#N)n2C2CC2)CC1 8735450 RLQNPUJVDOAIOA-UHFFFAOYSA-N 396.520 3.452 30 40 GGEB N#Cc1ccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)cc1Cl 8231930 ZXHBRJBYSCMKPH-UHFFFAOYSA-N 388.855 3.185 30 40 GGEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCC(=O)N1CCCC1 32721347 PREVWOXIWPJXGT-UHFFFAOYSA-N 379.485 3.452 30 40 GGEB N#Cc1cc(Oc2ccc(NC(=O)NCCOC[C@@H]3CCCO3)cc2)ccn1 571095734 AUNUUXLNZQDINE-IBGZPJMESA-N 382.420 3.063 30 40 GGEB C/C(=N/NC(=S)Nc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 40161951 XJHLTUMGNUMGSO-ZHZULCJRSA-N 375.519 3.418 30 40 GGEB Fc1ccc(/C=N\OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 13777970 COEOUQRNHCLMAU-VROXFSQNSA-N 387.378 3.153 30 40 GGEB O=C(O)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccccc1 19848792 LZQBWASLMFRJOO-SFHVURJKSA-N 383.375 3.269 30 40 GGEB NS(=O)(=O)c1ccc(NN=C2CCC(c3ccccc3)CC2)c([N+](=O)[O-])c1 4962194 HWENGNWHZGXSSP-UHFFFAOYSA-N 388.449 3.368 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc(O)cc1)c1cccs1 18120088 LHHFAGKZQCWCGY-PBHICJAKSA-N 385.441 3.211 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10444914 LKHSMSXWNBDPTL-INIZCTEOSA-N 377.444 3.203 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1F 20024157 FAEFBKHSLHEKGV-IBGZPJMESA-N 382.435 3.356 30 40 GGEB CC(C)[C@H](NC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)c1cccs1 40131603 YSFYIPNQESHSQN-SFHVURJKSA-N 376.503 3.048 30 40 GGEB N#Cc1cccnc1N1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 32089648 FWSDWWJKTXXMLC-GOSISDBHSA-N 395.850 3.036 30 40 GGEB CS(=O)(=O)OC[C@]1(Br)CC1(c1ccccc1)c1ccccc1 2044293 DYIUZRHTGAKKPO-MRXNPFEDSA-N 381.291 3.486 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2cnn(-c3ccccn3)c2C)c1C 32831379 YEYMTSURZRBKKJ-UHFFFAOYSA-N 378.432 3.220 30 40 GGEB C=CCN(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1cccnc1 4856545 AOHQQLVMXMWQRO-NRFANRHFSA-N 386.455 3.163 30 40 GGEB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cccc(C#N)c2)cc1 3405817 VSBJZRISZPIJPO-CYBMUJFWSA-N 379.445 3.267 30 40 GGEB CCCC[C@@H](ON=C(C)C)C(=O)NCc1cccc(CN2CCOCC2)c1 95468821 DYINLHYRNTWMJG-HXUWFJFHSA-N 375.513 3.106 30 40 GGEB COc1ccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc4ccccc34)C2=O)cc1 408537517 VVSPYXBCOZLMQR-SFHVURJKSA-N 387.395 3.450 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225009624 KOVZOEPUKGXVOG-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1Br 947069 YTYJUWKTEBJRLG-LICLKQGHSA-N 383.267 3.079 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3cccnc3C)CCCCC2)cn1 12222772 XVRSIHFOEYLKPR-UHFFFAOYSA-N 376.460 3.228 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Cl)cc1 20219577 ZBOHODIDHBJJEX-GOSISDBHSA-N 399.878 3.265 30 40 GGEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3nc4ncccn4n3)c2C#N)C1 924017 YEDMMJVVGQPQRS-LLVKDONJSA-N 380.477 3.461 30 40 GGEB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCCN(Cc2ccc(C#N)cc2)CC1 32888376 IMKCPVOSCADLFP-UXHICEINSA-N 390.531 3.332 30 40 GGEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1CC 16809811 MISDRCOKHUFENO-WMQDPJMESA-N 398.326 3.426 30 40 GGEB N/C(=N\S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccncc1 6599373 NZRXCYUKNWRYRH-UHFFFAOYSA-N 397.300 3.213 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccncc1 6905089 SWBXKQWDTLFIHA-UHFFFAOYSA-N 396.432 3.165 30 40 GGEB COc1cc2c(c3oc(=O)c(C/C(O)=N/c4ncn[nH]4)c(C)c13)CCC(C)(C)O2 13723012 QWKSUMXEWIUHRG-UHFFFAOYSA-N 398.419 3.162 30 40 GGEB N#CCc1ccc(OC[C@@H](O)CNCC2(N3CCCCC3)CCCCC2)cc1 39978416 IKTJLHBCPBLLJS-NRFANRHFSA-N 385.552 3.271 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccco2)cc1 5489219 BTYOYAJXPIMDRT-VQIMIIECSA-N 397.427 3.436 30 40 GGEB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2C)cc1 5846957 RQAJAKNZLICFFO-CYBMUJFWSA-N 393.472 3.482 30 40 GGEB CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 4683867 WVRZJAMAOJQSRN-JZTHCNPZSA-N 386.488 3.158 30 40 GGEB biogenic,in-vitro N#Cc1cc2c(nc1SCCCn1c(=O)[nH]c3ccccc31)CCCC2=O 5904114 NFNDBUCHNKVGSZ-UHFFFAOYSA-N 378.457 3.298 30 40 GGEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)cc1OC 13582802 HIJMSYRWDRFDJR-QLBZYLJCSA-N 387.436 3.308 30 40 GGEB Cc1nnc(NC(=O)[C@@H](C)Sc2nc(O)c(C#N)c(-c3ccccc3)n2)s1 2746379 SGYAVJFQNPZTAY-SECBINFHSA-N 398.473 3.000 30 40 GGEB C[C@H]1CCCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)C1 1354942 FKLPXYWPKNCWRZ-ZDUSSCGKSA-N 383.473 3.228 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(C)C[C@H]2CCOC2)n(-c2cccc(F)c2)c1C 79020427 FDVOUGZHIWEEHM-MRXNPFEDSA-N 384.455 3.012 30 40 GGEB CC(C)N1CC(=O)C(c2nc(-c3ccc(Br)cc3)cs2)=C1N 12618524 HVXGTIKGWKMDQQ-UHFFFAOYSA-N 378.295 3.493 30 40 GGEB CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)O[C@H](C)C1 18067037 JKVXZISQSJLZAM-BBWFWOEESA-N 395.507 3.157 30 40 GGEB CCc1n[nH]c(=S)n1/N=C/c1ccc(/C=N/n2c(CC)n[nH]c2=S)cc1 6497105 UZIDYGVKOVGOFN-BEQMOXJMSA-N 386.510 3.084 30 40 GGEB CCOC(=O)C(CC)(C(=O)OCC)C1=C(Cl)C(=O)c2ccccc2C1=O 4698109 YUCJEEBSDJAUPY-UHFFFAOYSA-N 378.808 3.081 30 40 GGEB C[C@@H](C(=O)Nc1cccc(C#N)c1)n1nnc(-c2cccc(C(F)(F)F)c2)n1 8221141 AXXJDCGUZRVPFM-NSHDSACASA-N 386.337 3.430 30 40 GGEB COc1cc(-c2c(-c3ccccc3)c(C)[nH]c(=N)c2C#N)ccc1OCC(=O)O 408982474 YAGULSUPZOOMRJ-UHFFFAOYSA-N 389.411 3.480 30 40 GGEB C=CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(CC=C)C1=O 230516079 YYPCNXXRXPJSDX-GHRIWEEISA-N 378.453 3.217 30 40 GGEB C=CCc1cc(C(=O)NCc2nc(-c3cccc(OC)c3)no2)ccc1OC 95482245 VRBQLXLTIDUILU-UHFFFAOYSA-N 379.416 3.412 30 40 GGEB CCOc1ccc(-n2c(C)cc(C(=O)Cn3cc(C#N)ccc3=O)c2C)cc1 1166314659 UZWIHJJNAJEIFH-UHFFFAOYSA-N 375.428 3.409 30 40 GGEB C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc2ccc(O)cc2oc1=O 12362621 CFLLZPQFLVKLLD-GIJQJNRQSA-N 384.304 3.151 30 40 GGEB CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 4328592 JKVXZISQSJLZAM-ZACQAIPSSA-N 395.507 3.157 30 40 GGEB O=C1CCCC2=C1[C@H](c1cccnc1)n1nc(SCc3ccccn3)nc1N2 12349847 ONOSWRXZEZOENN-SFHVURJKSA-N 390.472 3.382 30 40 GGEB COc1ccc([C@@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1F 24909647 JEYOFDCVNICOOI-GFCCVEGCSA-N 395.438 3.176 30 40 GGEB O=C(NCC#Cc1ccccc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 25071718 CPLGKOAIJXKHPC-UHFFFAOYSA-N 379.419 3.167 30 40 GGEB COCCCCN1C(=O)[C@@H](Oc2ccc(C#N)cc2)[C@H]1c1cccc(OC)c1 58154899 MMOGLIZLNKXXLL-RTWAWAEBSA-N 380.444 3.324 30 40 GGEB N#Cc1c(NC(=O)c2nn(-c3ccc(F)cc3)ccc2=O)sc2c1CCCC2 6662478 UJFVGTULZIDTAR-UHFFFAOYSA-N 394.431 3.436 30 40 GGEB N#Cc1ccccc1CSCCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O 25154089 CMYJTVVZMJGBDA-QGZVFWFLSA-N 393.512 3.499 30 40 GGEB N#Cc1c(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)sc2c1CCCC2 9864737 HSIUJYUBRKAEHJ-UHFFFAOYSA-N 381.379 3.318 30 40 GGEB COc1ccc(-c2nc(CN3CCN(c4ccc(C#N)cn4)CC3)cs2)cc1 97550215 LFJFRQLMGVUIPM-UHFFFAOYSA-N 391.500 3.408 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 84502114 QOZDVFJQTOPAJW-UONOGXRCSA-N 377.393 3.046 30 40 GGEB OC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681716 DAHZCNRVTNHGGR-VKHMYHEASA-N 394.127 3.469 30 40 GGEB in-vitro COc1ccc(-n2c(C)cc(C=Nn3c(O)nc4ccccc4c3=O)c2C)cc1 409348711 SFDUFQDSZPLLJQ-UHFFFAOYSA-N 388.427 3.400 30 40 GGEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 409011878 OTJJCABDOORBGF-HQAZHCQUSA-N 377.418 3.158 30 40 GGEB CCN(CC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCc1ccccc1 2323558 IZGXVBKISZCSSQ-SFHVURJKSA-N 387.487 3.442 30 40 GGEB C#CCOc1ccc(CN2CCC(c3n[nH]c4nccnc34)CC2)cc1OCC 12228332 LRTIMRIVHZBEBP-UHFFFAOYSA-N 391.475 3.143 30 40 GGEB COc1cccc(-c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)c1 6719549 RZKVLIMRKPURAP-UHFFFAOYSA-N 394.456 3.246 30 40 GGEB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc(F)ccc21 100877300 BGDAIIAJBCDFPQ-QOCHGBHMSA-N 383.404 3.018 30 40 GGEB CS(=O)(=O)c1ccccc1C(=O)Nc1ncc(Cc2ccc(C#N)cc2)s1 32907002 WQGGQHMQRRNYED-UHFFFAOYSA-N 397.481 3.261 30 40 GGEB C[C@]12Cc3c([nH]c(=O)c(C#N)c3C#N)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 105368886 RONRYQJFHZPPMI-YYBXRZGSSA-N 391.515 3.437 30 40 GGEB C=CCNc1nnc(SCC(=O)N(CCC#N)c2ccc(F)cc2)s1 8881990 KFOZPAHICZBGMA-UHFFFAOYSA-N 377.470 3.314 30 40 GGEB C[C@@H](Oc1ccc(Br)cc1C=O)C(=O)NC1(C#N)CCCCC1 7782709 QHROTWBEXJMYCS-GFCCVEGCSA-N 379.254 3.372 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218334014 AMPWPPVNXAQBOG-SVFBPWRDSA-N 383.469 3.316 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H](C)N2Cc3ccccc3C2=O)n1 95476709 DAJGSZWRZIVWHQ-GFCCVEGCSA-N 377.404 3.113 30 40 GGEB CN1C(=O)/C(=N/Nc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21 4611090 IHXJNLDRQXQLML-LKUDQCMESA-N 395.422 3.178 30 40 GGEB CCO/C(O)=N/c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)s1 32891735 LCQPXLYZMILEHT-UHFFFAOYSA-N 378.479 3.340 30 40 GGEB CCn1c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)nc2ccccc21 32824695 QBZAYFICPWMRAP-UHFFFAOYSA-N 387.447 3.159 30 40 GGEB COc1ccc(-n2c(N(C(C)=O)C(C)=O)c(C#N)c3nc4ccccc4nc32)cc1 3187944 IPMCEGAFCRJKJI-UHFFFAOYSA-N 399.410 3.353 30 40 GGEB N#Cc1cccc(COC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)c1 11439966 WMTLMMCNBAUPIR-UHFFFAOYSA-N 381.476 3.260 30 40 GGEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2cc(Cl)ccc2O)n1 4199594 BFGLCDBDQDOIFF-WSDLNYQXSA-N 397.870 3.355 30 40 GGEB COc1ccccc1N(CCC#N)C(=O)CSc1nc(O)c2ccccc2n1 5895807 CZUPLSURMPJMDT-UHFFFAOYSA-N 394.456 3.383 30 40 GGEB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccccc3OCC#N)C(=O)NC2=S)c1 408820494 YCQCZEVWUHLMGS-SFQUDFHCSA-N 391.452 3.037 30 40 GGEB CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218497016 SXPRGNDNAPWAEL-SCTDSRPQSA-N 389.860 3.437 30 40 GGEB C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](OC(C)=O)[C@H](O)[C@]2(C)O1 247999516 CTWGHMFXWBBNSE-SBOBDLCGSA-N 380.525 3.226 30 40 GGEB biogenic,in-vitro C/C(=N\NC(=S)N1CCN(c2ccccn2)CC1)c1cccc2cccnc12 16941094 NGNGDVSSBXKDOU-LFVJCYFKSA-N 390.516 3.051 30 40 GGEB C[C@@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F 32863485 AIOYCTOMCBKAGW-LBPRGKRZSA-N 390.415 3.385 30 40 GGEB CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N(C)Cc1cccc(C#N)c1 26329673 WSLIMTVMTQWQNO-QGZVFWFLSA-N 392.503 3.038 30 40 GGEB O=C1C(=Cc2cc(Br)c(N3CCOCC3)o2)C(=O)c2ccccc21 59679560 PRSFXRXEJCGIKA-UHFFFAOYSA-N 388.217 3.341 30 40 GGEB CCCCS[C@@H](C)C(=O)[C@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 58159232 WMNWRDXXFFVZTF-GOEBONIOSA-N 397.566 3.210 30 40 GGEB N#CCCN(C(=O)CSc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 3493244 UCWMYGDYEDTNNS-UHFFFAOYSA-N 398.879 3.355 30 40 GGEB CCOc1cc(/C=C/C(=O)c2ccc(C#N)cc2)ccc1OCC(=O)N(C)C 8777196 FFVSZDNGOBYYHT-YRNVUSSQSA-N 378.428 3.320 30 40 GGEB COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OCc1ccc(F)cc1 15635037 ALXPMUPLFAWVSK-SSDVNMTOSA-N 382.395 3.251 30 40 GGEB COc1ccc(C(C)=O)cc1COC(=O)CO/N=C(\C)c1ccc2c(c1)OCO2 7441909 KJBWQUIQBOOZTN-LPYMAVHISA-N 399.399 3.111 30 40 GGEB C[C@]1(n2cc(/C=C/C(=O)c3cccc(C(F)(F)F)c3)cn2)CCS(=O)(=O)C1 84673578 YMUUKZHZXVHEBY-RTRPANQVSA-N 398.406 3.332 30 40 GGEB C=CCc1cc(/C=N\c2ccccc2C(=O)OC)cc(OC)c1OCC(=O)O 408857804 MQHDWSNENWDKQH-UUYOSTAYSA-N 383.400 3.424 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 218341667 OCMVOPBDXUPHRP-LNLFQRSKSA-N 389.860 3.353 30 40 GGEB COc1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)c(OC)c1 5661280 ICECVTHRVAHRQP-SRZZPIQSSA-N 384.823 3.349 30 40 GGEB CC[C@@H](C)c1ccc(NC(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)cc1 12857104 YHXNAWNRYJTMGS-OAHLLOKOSA-N 385.489 3.476 30 40 GGEB N#Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96024404 NLLQUFPQWCYXSZ-UHFFFAOYSA-N 393.472 3.488 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(NC(C)=O)ccc21 100874937 MGPDFTOPSFZHJK-VZCXRCSSSA-N 396.428 3.497 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)CC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 11907250 UFTNEYPSVAJLBM-IEAPLQLESA-N 380.535 3.041 30 40 GGEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 102648850 XDTJXBPHPLNDFZ-GHNGSUTGSA-N 383.375 3.112 30 40 GGEB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 3221662 HKPKZTNDCAAALY-HZPDHXFCSA-N 397.500 3.477 30 40 GGEB COc1ccccc1C/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc(C)ccc2C)S1 13041634 RJUWHQAVWUBQFF-GOSISDBHSA-N 397.500 3.428 30 40 GGEB COc1ccc([C@@H]2[C@@H](/C(O)=N/c3ncn[nH]3)c3ccccc3C(=O)N2C)cc1 95473709 KVKUPSFVEKYNQJ-DLBZAZTESA-N 377.404 3.012 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@@]4(C)C3=CC[C@]21C 254018987 SGOCZEFVBBHDQY-ODOOLFAWSA-N 398.499 3.324 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1Br 1529454272 UPROOTRZZWRIRW-KNGNMEQUSA-N 385.261 3.145 30 40 GGEB Cc1ccc(S(=O)(=O)Nc2nc(C)cc(N/N=C/c3ccc(O)cc3)n2)cc1 4548679 UEKOJIRGMNYPMZ-UDWIEESQSA-N 397.460 3.046 30 40 GGEB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1ccc(/C=N/Nc2ccccc2)cc1 5603825 OLWXJEKWSGPKCU-GZKUGWNMSA-N 377.360 3.412 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@H]2c2ccc(Br)cc2)cc1 102856624 IIEGHHBAEKSZIT-IDTYTIONSA-N 388.217 3.167 30 40 GGEB O=C1CCCC2=C1[C@H](c1cccs1)c1c([nH]c(N3CCCCC3)nc1=O)N2 22607097 VXAZWKFSGVXRQQ-INIZCTEOSA-N 382.489 3.386 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1OC 13426470 VJFMKDCRKPOJAY-PDGQHHTCSA-N 390.395 3.212 30 40 GGEB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)cc1 6376629 ADCPJMCAIACCQD-UHFFFAOYSA-N 383.360 3.049 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCSc2c(F)cccc21 14236776 WUOGSELPVPUNBM-QGZVFWFLSA-N 385.464 3.288 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 4908337 LBQZGPRPUAXAJQ-MRXNPFEDSA-N 375.783 3.050 30 40 GGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 5961505 PUVFXLLIBWYAPB-XACIZNRCSA-N 384.384 3.260 30 40 GGEB biogenic Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1CCc2ccccc21 7672309 DHLPCVIXJRUJPM-OAHLLOKOSA-N 389.411 3.385 30 40 GGEB COC(=O)C1CCN([C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)CC1 8471122 CFALRQZBCFLPRL-CYBMUJFWSA-N 389.521 3.101 30 40 GGEB CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccc(OC)c(OC)c3)c2c1N 19913144 OAEUURUPPFZZPR-UHFFFAOYSA-N 398.444 3.193 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 222367885 KFTVOWXKQNSPKK-SHKLBEKASA-N 376.387 3.473 30 40 GGEB C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1 97699045 WZLAWYAXYNCFPX-LPHOPBHVSA-N 391.471 3.151 30 40 GGEB N#Cc1cc(C(F)(F)F)ccc1S(=O)(=O)N1CC[C@@H](Oc2ccccc2)C1 595363485 DDOSDORQZLQNBG-MRXNPFEDSA-N 396.390 3.419 30 40 GGEB O=C(NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1cccnc1 19337870 MSZYALWADKHVIM-UHFFFAOYSA-N 388.471 3.310 30 40 GGEB C=CCN1CCC[C@]2(CC1)CN(C(=O)Cc1ccccn1)Cc1ccccc1O2 12133591 FYYGNYNUDUYVCI-DEOSSOPVSA-N 391.515 3.456 30 40 GGEB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1 4768204 NSEHJBQHNHTKNM-CQSZACIVSA-N 378.461 3.270 30 40 GGEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2ccc(C)c(C)c2[nH]c1=O 883092 FGLLXXWQVBUSNU-QGZVFWFLSA-N 375.428 3.475 30 40 GGEB C=CCN1C(=S)N[C@@H](c2ccc(F)cc2)C(C(=O)Nc2cc(C)on2)=C1C 10354464 ADFIXVBNIULSGI-KRWDZBQOSA-N 386.452 3.452 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)c1 20043557 DYHYVBYOWAHWIL-UHFFFAOYSA-N 386.473 3.487 30 40 GGEB C#CCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(OC)c(OC)cc21 101035533 WHQJBFNFGCPQDX-VXPUYCOJSA-N 397.412 3.003 30 40 GGEB CCOc1ccc(/C=C/C(=O)OCC(=O)Nc2sccc2C#N)cc1OC 5367114 SRJISOPHKPQJHD-FNORWQNLSA-N 386.429 3.222 30 40 GGEB C=CCOc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CCC)n2CCCC)cc1 6567023 OETQMZRKVFYHRH-UHFFFAOYSA-N 382.464 3.328 30 40 GGEB C=CCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 4982881 KRLKREYPYDKDLG-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB COc1ccccc1CNC(=O)[C@@H](C)O/N=C/c1ccc(OC(F)F)cc1 15367329 ISRMXIYBVRJROG-HJQVIKLGSA-N 378.375 3.352 30 40 GGEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 7564511 SWRZIZQBPLYBFR-KGLIPLIRSA-N 397.406 3.101 30 40 GGEB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(C#N)cc2)o1 19928521 NVSPDHBUGDXTJD-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccco1 102860607 FVTATMMZMVRWCU-SELCWUDQSA-N 395.390 3.127 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(CC)cc2)C1 8085898 KJPHKBAZIZGPKQ-KRWDZBQOSA-N 391.471 3.156 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC 3094435 GXEIGFRSVLDLKP-HXUWFJFHSA-N 399.487 3.489 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12761662 TZJCQLUFFQTYDV-XCLFUZPHSA-N 384.505 3.266 30 40 GGEB O=C(COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1)N1CCCCC1 408864834 ACDXRESSGDOWKL-PXLXIMEGSA-N 396.516 3.398 30 40 GGEB COc1ccc(/C=N\OCc2nc3c4c5c(sc4ncn3n2)CCC5)cc1 13551282 BHADQXKPGXQABP-NKVSQWTQSA-N 379.445 3.387 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1ccc([N+](=O)[O-])cc1 6002202 JBJCKRYJYNBWEW-AWEZNQCLSA-N 398.444 3.355 30 40 GGEB C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 5274794 SLQYJIHUTAGQFZ-SFHVURJKSA-N 381.407 3.486 30 40 GGEB COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O[C@@H](C)C(=O)O 409238937 XGFDPNFABXFAEZ-WXUSHSQQSA-N 384.432 3.134 30 40 GGEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1 218459488 PVOCQCDGBJGREJ-GUDVDZBRSA-N 375.877 3.344 30 40 GGEB COc1ccc(S(=O)(=O)Nc2sc3c(c2C#N)CCCC3)c(OC)c1 32604195 MUXRXYANBUVNSR-UHFFFAOYSA-N 378.475 3.317 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1ccccc1-c1ccccc1C#N 6610802 YIFLRTXNRCSDFA-QFIPXVFZSA-N 375.428 3.437 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2ccsc2)cc1 575611036 TVHXISRYCARWET-IBGZPJMESA-N 391.452 3.075 30 40 GGEB C[C@]12CC[C@H]3[C@H](CC[C@H]4Cc5[nH]c(=O)c(C#N)c(C#N)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 3984790 RONRYQJFHZPPMI-ZYEPRSATSA-N 391.515 3.437 30 40 GGEB N#Cc1c(NC(=O)CSc2nnnn2C2CCCC2)sc2c1CCCC2 4373233 WQRUBIYBUXSJHS-UHFFFAOYSA-N 388.522 3.331 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3cccs3)oc2=O)cc1C 58680778 CERNKDSVWFQHAJ-UHFFFAOYSA-N 382.445 3.129 30 40 GGEB CC(C)[C@@H](C)CS(=O)(=O)OCCCCOS(=O)(=O)C[C@H](C)C(C)C 100229868 BSIWORPCWLQVBJ-HOTGVXAUSA-N 386.576 3.044 30 40 GGEB CN/N=C(/C)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296412 YCBFGMOJGGMQJD-DJPZSDAVSA-N 393.487 3.404 30 40 GGEB C=CCn1c(S[C@H](C(=O)NC(N)=O)C(C)C)nnc1-c1ccc(Cl)cc1 3420450 DPZCZCUYKDMAPF-ZDUSSCGKSA-N 393.900 3.096 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 6238877 VIEWYCMXJHWTEX-IBGZPJMESA-N 381.428 3.310 30 40 GGEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)c(Cl)c1 5488695 BAWAZAVFBKTFGI-QPEQGOCJSA-N 393.317 3.005 30 40 GGEB COc1ccc(/N=C/c2ccc(OCC(=O)N3CCOCC3)cc2)cc1Cl 409242966 PZYADYKIASHIGM-LPYMAVHISA-N 388.851 3.337 30 40 GGEB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)C2=O)c1 409378741 QZOWKIWBWQSIHO-LDADJPATSA-N 384.395 3.140 30 40 GGEB COc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)N2CCOCC2)cc1 409228440 AFXXREMGWOVHNP-LPYMAVHISA-N 388.851 3.337 30 40 GGEB C=CCN1CC[C@@]2(CN(C(=O)c3ccc(C)s3)C[C@H]2c2nccs2)C1=O 306123830 AXZXYEPRTIVCHQ-LIRRHRJNSA-N 387.530 3.157 30 40 GGEB CCCOc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 408604090 SIBJCHBKMMUTFY-CJLVFECKSA-N 395.511 3.307 30 40 GGEB O=C1/C(=N\Nc2ccccn2)c2cc(Br)ccc2N1C1CSC1 223763129 PTEDBZJMIIEMKT-HKWRFOASSA-N 389.278 3.122 30 40 GGEB CCCCc1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1COC(C)(C)C2 95479392 GHQHBHSFBMTPTA-UHFFFAOYSA-N 397.475 3.435 30 40 GGEB Cc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N1CCN(Cc2ccccc2)CC1 169905402 VRLMTLBEHWGPGF-UHFFFAOYSA-N 393.340 3.011 30 40 GGEB O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1ccccc1F)c1ccc(Cl)cc1 11914454 XXFFNYHFNLVDPI-QGZVFWFLSA-N 389.810 3.440 30 40 GGEB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c1 6277983 WQUYMOGGUHZEFT-UHFFFAOYSA-N 385.489 3.498 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ccc(C#N)nc4)C3)ccc2n1 2087044243 URPMTQCFOXCTML-HNNXBMFYSA-N 376.464 3.199 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 12569758 UJESHMHLBMVGJH-QPJJXVBHSA-N 385.763 3.315 30 40 GGEB COc1ccc(CN/N=C/c2ccc(I)cc2)cc1OC 20195958 XLLUUOFUGBSXLX-VCHYOVAHSA-N 396.228 3.432 30 40 GGEB N#CC1(NC(=O)[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CCCCC1 84372817 UMVBSEMYHCJQJM-CYBMUJFWSA-N 379.382 3.401 30 40 GGEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O 409172876 MIWDJPGEXYIYHE-LZYBPNLTSA-N 381.369 3.409 30 40 GGEB N#CCOc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cn2)cc1Br 4739601 QWGLCNDEHRGHAX-QGMBQPNBSA-N 376.170 3.101 30 40 GGEB C[C@@H](C(=O)N1CCc2sccc2C1)N1CCCN(c2ccccc2C#N)CC1 52801328 WABOODYLNSTDQR-KRWDZBQOSA-N 394.544 3.105 30 40 GGEB O/C(=N\c1ncn[nH]1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 33355102 OKZOHKDIUPHPRZ-SCSAIBSYSA-N 396.116 3.428 30 40 GGEB COc1cccc(C[C@@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)c1 25286897 FTKRFSPXIYKMMO-INIZCTEOSA-N 386.459 3.256 30 40 GGEB Cn1ccnc1[C@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 58325004 UHEBPFNGWCSHLC-LJQANCHMSA-N 379.851 3.263 30 40 GGEB O=C(C[C@@H]1S/C(=N\N=C\c2ccccc2)NC1=O)Nc1ccc(Cl)cc1 2205056 CIRMKUGXTNXPQD-BBJIBYMTSA-N 386.864 3.290 30 40 GGEB C/C(=N\Cc1ccccc1Cl)N(C)CCNS(=O)(=O)c1ccc(F)cc1 6229418 BWZOEXLRDSDZNS-KGENOOAVSA-N 397.903 3.308 30 40 GGEB CN(C)c1ccc(/C=N/NC2=NC(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)S2)cc1 5529487 MTNRFOBQHKYXHD-XAJBPTSZSA-N 395.444 3.255 30 40 GGEB C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 4738715 ISJOXDQJLLTIPP-IBGZPJMESA-N 393.443 3.356 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ccc(N2CCCCC2)cc1 7738635 VDUKYGJQZFFHKB-UHFFFAOYSA-N 378.476 3.425 30 40 GGEB Cc1ccc(N=c2[nH]c3nonc3[nH]c2=N/N=C\c2c[nH]c3ccccc23)cc1C 408722162 PTTDQWRQYVNYBR-KSEXSDGBSA-N 398.430 3.144 30 40 GGEB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)CSC3=S)o2)cc1Cl 409339456 IIKHLVVXWQDXHY-UBKPWBPPSA-N 380.834 3.492 30 40 GGEB COC(=O)COc1ccccc1/C=C1/SC(=Nc2ccc(C)cc2)NC1=O 408961817 ODHHZNIUKORHRR-GZTJUZNOSA-N 382.441 3.438 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507963 LFZLWVWWMRZGKN-UOOAFGRTSA-N 394.562 3.458 30 40 GGEB N#Cc1c(F)cccc1NCCNC(=O)/C=C/c1ccc(N2CCCC2=O)cc1 40122792 JAELYNZKGBAJEJ-DHZHZOJOSA-N 392.434 3.066 30 40 GGEB O=C([C@@H](F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 627281296 HBGNDVDTAYRGGT-SFOWXEAESA-N 376.068 3.493 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 15030486 MGXLOVSZTQXCTK-UHFFFAOYSA-N 399.516 3.354 30 40 GGEB Cc1ccc(NC(=O)C[C@@H]2S/C(=N/C3CCCCC3)NC2=O)c([N+](=O)[O-])c1 21133063 IITFWXBRWFKUET-HNNXBMFYSA-N 390.465 3.152 30 40 GGEB Cc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2ncccn2)cc1 8772191 DGPPKNWMXJJLCB-KRWDZBQOSA-N 375.384 3.469 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)[C@@H](C)Oc1ccc(F)cc1 7233241 OYCCZAZZIHRWFB-SNVBAGLBSA-N 392.408 3.028 30 40 GGEB C=CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 16741769 VIHPUIMQHNUKIZ-FQEVSTJZSA-N 399.512 3.389 30 40 GGEB C=CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 33633207 CHSVPDIIUVFNML-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB C[C@@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1cccc(C#N)c1 6032581 SFULWOMLWZEYSB-CQSZACIVSA-N 394.427 3.221 30 40 GGEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1F)c1ccccc1 5483604 AYPJFGAVSNAGCI-KRWDZBQOSA-N 375.359 3.399 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N 100616528 WLKNWVQEAWYUDX-WOJBJXKFSA-N 387.399 3.376 30 40 GGEB C=CCOc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(O)nn2)c1 31820357 NEJJGUNXZMGJMJ-HNNXBMFYSA-N 377.404 3.365 30 40 GGEB CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc(Cl)c1OC 7945966 IDGSCIYIKXAYQF-YBFXNURJSA-N 382.869 3.368 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)Cn3nnc(-c4ccccc4)n3)c2C#N)C1 2788110 PKDWCPJXYKCFCP-LBPRGKRZSA-N 378.461 3.037 30 40 GGEB N#Cc1ccc(N2CC[C@@H](N3CCO[C@H](c4ccccc4Cl)C3)C2=O)cc1 103490574 MWIDJBZGMQHHQY-UXHICEINSA-N 381.863 3.390 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@H]1CCCc2ccccc21 25109090 GAZYLPKWYSNVRJ-GOSISDBHSA-N 387.487 3.387 30 40 GGEB C=CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@H]1CCS(=O)(=O)C1 58213661 VZFOYAHPQJNOIS-ZDUSSCGKSA-N 379.865 3.415 30 40 GGEB C=CCOc1ccc(CNCCSc2nnnn2-c2ccccc2)cc1OC 8471127 HNLGBKIKTABHPS-UHFFFAOYSA-N 397.504 3.118 30 40 GGEB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H]1c1cccc(C#N)c1 12999239 OHWWHICYWFJHNO-GOSISDBHSA-N 392.371 3.184 30 40 GGEB Cc1nc2[nH]c(=O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)[C@H]3c1ccc(F)cc1 18219608 OFSWFDMDKALHPO-OAHLLOKOSA-N 393.422 3.066 30 40 GGEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3[C@@H](O)C[C@]21C 245377387 KOKWAOHITJLJCF-MWIVGIEESA-N 396.483 3.374 30 40 GGEB biogenic,in-vitro Cc1ccccc1OCc1ccc(-c2nc(C#N)c(N3CCN(C)CC3)o2)o1 8654776 SHPOFOOMGJBMSG-UHFFFAOYSA-N 378.432 3.446 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCC(=O)O)cc1 5446326 YJEHRENGAPEQFF-WOOAAIBNSA-N 379.412 3.282 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCOC)cc1 8996243 XHTPCXBTHMMZTN-LJQANCHMSA-N 397.427 3.459 30 40 GGEB Cc1ccc([C@@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)C(=O)N2CC(=O)O)cc1 20528658 VSCDXUWWODCSCM-QGZVFWFLSA-N 385.803 3.155 30 40 GGEB N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3c2CCCC3)cc1 12751338 BJYOKYUDXDZHKK-UHFFFAOYSA-N 383.473 3.010 30 40 GGEB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2cccc(C#N)c2)C1=O 8634853 YLHYQFKAVZFBEI-GOSISDBHSA-N 384.233 3.288 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1[C@H]1C2=C(CC(C)(C)CC2=O)Nc2nnnn21 8395188 DRNFATKOIDSETD-IBGZPJMESA-N 389.463 3.134 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccc3c(c2)CCO3)c(C(F)(F)F)c1 84340779 PQRVOXATJJQPIU-UHFFFAOYSA-N 396.346 3.205 30 40 GGEB C=CCOc1ccc(NC(=O)[C@H](C)N(c2ccccc2F)S(C)(=O)=O)cc1 220309636 DHPRNACNGMRJHX-AWEZNQCLSA-N 392.452 3.184 30 40 GGEB COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1cccc2ccccc12 13470920 PYAMNADAQIAPDC-WSDLNYQXSA-N 379.441 3.235 30 40 GGEB CCOc1ccc2cc(C(=O)NC(C)=O)/c(=N/c3ccc(C#N)cc3)oc2c1 1775968381 DZXJBSHUPOFZPT-FLFQWRMESA-N 375.384 3.212 30 40 GGEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@]12C#N 100157894 JVADAEPYKLFVFA-BMFZPTHFSA-N 379.247 3.208 30 40 GGEB Cc1nn(CCNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1-c1cccs1 575613271 YRMIEYPTBKDDGW-UHFFFAOYSA-N 386.502 3.079 30 40 GGEB N#Cc1c(N)nc(SCC(=O)Nc2ccc(Cl)cn2)c(C#N)c1C1CC1 13577377 NCERCCAZAVGZJY-UHFFFAOYSA-N 384.852 3.064 30 40 GGEB C=CCN1C(=O)[C@H](CC(=O)Nc2ccccc2F)S/C1=N\c1nccs1 100411272 KAXCTNGJCCJIJX-ZCBJIMFGSA-N 390.465 3.429 30 40 GGEB Cc1nc(N2CCN(C(=O)C3CCCCC3)CC2)c(C#N)c2c1COC(C)(C)C2 20647990 TVHMYNWVIDRTHV-UHFFFAOYSA-N 396.535 3.342 30 40 GGEB Cc1noc(C)c1CC(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 21493127 PUSWLRUOGFYIDW-UHFFFAOYSA-N 387.461 3.218 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 102716023 UWRMAWYQAMJXDX-IDTYTIONSA-N 397.412 3.074 30 40 GGEB COc1ccc(OC)c([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1 4859782 VSCITAHLSFHBFU-OVQGTLEDSA-N 392.415 3.213 30 40 GGEB C=CCOC(=O)[C@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 4908775 RXEFEKFVTCJSBE-CECAUBDESA-N 384.476 3.197 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccncc1 17180688 BQKSNZUQXMJNKX-LJQANCHMSA-N 396.443 3.013 30 40 GGEB biogenic Cc1sc2ncn(/N=C/c3cc(Br)ccc3O)c(=O)c2c1C 20932944 VPIQRIAVEZIOKS-NGYBGAFCSA-N 378.251 3.425 30 40 GGEB CC1(C)[C@]2(C)CC[C@]1(C(=O)O/N=C(\C#N)c1nc3ccccc3s1)OC2=O 100920116 BUHOCYHSLMMFBK-SAMJQPSXSA-N 383.429 3.189 30 40 GGEB Cc1ccccc1CSc1nnc(N/N=C/c2cc([N+](=O)[O-])ccc2O)[nH]1 36611001 UNLVUUSFRGPDBS-GIJQJNRQSA-N 384.421 3.465 30 40 GGEB COc1ccc(C(=O)NC(=S)Nc2cccc(C#N)c2)cc1Br 5986296 BSVNIQSDRFWMCB-UHFFFAOYSA-N 390.262 3.456 30 40 GGEB C=CCNC(=O)NC(=O)CSc1nnc(Nc2ccccc2Cl)s1 9154651 ZCCWJWZAIYSKKC-UHFFFAOYSA-N 383.886 3.039 30 40 GGEB CCOC(=O)CCN(Cc1cccnc1)c1nc(C(F)(F)F)ccc1C#N 89983696 WTDSEWCZLXMNAU-UHFFFAOYSA-N 378.354 3.327 30 40 GGEB CCn1c(N/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc2ccccc21 408692690 SETKNYWKYLAVSA-KGENOOAVSA-N 394.435 3.247 30 40 GGEB COC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218117518 NJQGPLXKYRZMEI-QYZOEREBSA-N 391.876 3.445 30 40 GGEB N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1 1048807 AFYQTEGTIKVTQA-UHFFFAOYSA-N 378.837 3.025 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1ccc(O)cc1)c1cccs1 17147405 LHHFAGKZQCWCGY-RHSMWYFYSA-N 385.441 3.211 30 40 GGEB COc1cc(OC)c([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC 100791143 GKCNNNATZCTQPY-AWEZNQCLSA-N 394.379 3.076 30 40 GGEB biogenic CC(C)(C#N)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1 32802085 INSNONGCCKRWJA-UHFFFAOYSA-N 376.504 3.244 30 40 GGEB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC(=O)N(O)C(=O)[C@]4(C)CC[C@H]32)C1 8616308 LLUBVGAUALLRPJ-YLMHJTNXSA-N 375.465 3.235 30 40 GGEB COc1ccc(-c2nc([C@H]3CN(C(=O)C4(C#N)CCCCC4)CCO3)no2)cc1 96000898 VENPDNDRZIGPPM-QGZVFWFLSA-N 396.447 3.119 30 40 GGEB O=C(/C=C/c1ccco1)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1 35448456 KBTQEKLCRKJFOU-ZHACJKMWSA-N 387.461 3.182 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1cccnc1 8471258 JGJVELNWBNAFNP-UHFFFAOYSA-N 376.445 3.129 30 40 GGEB C=CCN1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc23)C(=O)NC1=S 408902161 LBXMAWCPEGERNX-SFQUDFHCSA-N 380.469 3.440 30 40 GGEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1cccc(C(=O)O)c1 252642970 ZSECGHCATMNBLV-YUJDFUAPSA-N 399.384 3.232 30 40 GGEB COc1cc(O)c(/C=N\NC(=S)NC23CC4CC(CC(C4)C2)C3)c(OC)c1 5048234 OUKWFUSKOWXBMF-NHDPSOOVSA-N 389.521 3.176 30 40 GGEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1ccccc1F)c1ccccc1 5483894 AYPJFGAVSNAGCI-QGZVFWFLSA-N 375.359 3.399 30 40 GGEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C\C(=O)c1ccc(Cl)cc1)C(=O)O2 100116524 YGWYBAFCNPHOTH-GDNBJRDFSA-N 391.832 3.231 30 40 GGEB CCn1c(=O)c2ccccc2n2c(CNc3ccc(C#N)c(Cl)c3)nnc12 32770283 QALFROWJTAWUPO-UHFFFAOYSA-N 378.823 3.201 30 40 GGEB Cc1cccc(-n2nnnc2SCC(=O)N(CCC#N)c2ccc(F)cc2)c1 2621254 LGRPCJVLLYEYEU-UHFFFAOYSA-N 396.451 3.149 30 40 GGEB COc1cc(C#CC(=O)OC/C=C\c2ccc3c(c2)OCO3)cc(OC)c1OC 8616321 VQKDDERZYZYUPT-PLNGDYQASA-N 396.395 3.049 30 40 GGEB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)Nc2cccc(C#N)c2)c(C)c1 25053586 ARYLKYYIEJZORY-IBGZPJMESA-N 397.500 3.275 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cnccn1 2263949 BNZMPOBMKUSBHM-UHFFFAOYSA-N 380.477 3.269 30 40 GGEB COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCC(=O)O 2486836 VWEBWTPQILGSRV-UHFFFAOYSA-N 398.411 3.287 30 40 GGEB CCN(CC)c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 5625416 WHKFSQFPWRMBCQ-UDWIEESQSA-N 381.509 3.174 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 9156862 UTYAMXXVJYVKHJ-KUHUBIRLSA-N 378.407 3.104 30 40 GGEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc(Br)c1O 408750561 OTPGCZVXEHSRAQ-IDUWFGFVSA-N 381.186 3.303 30 40 GGEB N#CCOc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 16066144 LUUUBFIESXCLIP-MRXNPFEDSA-N 378.432 3.472 30 40 GGEB COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCC(=O)O 409088499 FTHYGEFOESWASZ-QPEQYQDCSA-N 387.775 3.157 30 40 GGEB CN(C)c1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 4615497 CZWALWSGPQPRHA-ZCLUNYJNSA-N 375.432 3.261 30 40 GGEB N#Cc1nn(-c2cccc(C(F)(F)F)c2)nc1N1CCN(c2ccccc2)CC1 256049039 XVOSMGUINIMIHX-UHFFFAOYSA-N 398.392 3.484 30 40 GGEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)NC1=S 658354 JCQFODYDSIPTTO-LDADJPATSA-N 396.443 3.217 30 40 GGEB Cc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O 5932131 PZDSBDMXPNWHKL-KRWDZBQOSA-N 397.456 3.014 30 40 GGEB N#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCCC1 6087323 XZRUFQXBTLIWCA-UHFFFAOYSA-N 379.247 3.046 30 40 GGEB N#Cc1cc2c(nc1N1CC[C@@H](Oc3ccncc3Br)C1)CCC2 1888847411 BLZQZSFTFZIQGI-CQSZACIVSA-N 385.265 3.257 30 40 GGEB CN(C)S(=O)(=O)c1cccc(/N=C2\SCCN2Cc2ccccc2)c1 18176677 IBBZISQJUWRQRG-HNENSFHCSA-N 375.519 3.173 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccco1 85409867 SSEZKNWTEXACMF-CQSZACIVSA-N 397.368 3.427 30 40 GGEB N#Cc1cc2c(nc1N1CCC(Cn3cnc(C4CC4)cc3=O)CC1)CCCC2 585627801 DKOLFEOPFUEWLO-UHFFFAOYSA-N 389.503 3.183 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)cc1 5205898 CHXDJKBOMLWTBC-SZNDQCEHSA-N 388.427 3.408 30 40 GGEB C=CCOc1ccccc1[C@@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(O)nn1 31818565 GWWYINWPQKTOHE-AWEZNQCLSA-N 377.404 3.365 30 40 GGEB COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccnc1 714652 UFPSXUSZGJFIJN-GOSISDBHSA-N 393.418 3.175 30 40 GGEB CC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccccc3C#N)CC2)c(F)c1 12554992 WXPDTTQWJJQEEC-VQHVLOKHSA-N 377.419 3.262 30 40 GGEB C=CCn1c(SCC(=O)NCCCN(C)c2ccccc2)nnc1C1CC1 24827980 FELBHOACGIZXGB-UHFFFAOYSA-N 385.537 3.076 30 40 GGEB CCn1nnnc1SCCC(=O)Nc1sc2c(c1C#N)CCCCC2 10572855 ONMYGAYJJNZJRV-UHFFFAOYSA-N 376.511 3.016 30 40 GGEB N#Cc1c(-c2ccc(C(=O)O)cc2)cc2n(c1=N)CCc1cc3c(cc1-2)OCO3 4089650 WDQSOOXHCHJQQS-UHFFFAOYSA-N 385.379 3.156 30 40 GGEB biogenic Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@H]2c2ccccc2)s1 8416805 CGTWORCMFNAHAY-OAHLLOKOSA-N 378.413 3.024 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC[C@@H](C)C2)n1 225924690 VFUIATQRLWDSMM-MRXNPFEDSA-N 388.585 3.422 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 12393101 RZUWRAFWFCFTQI-KXZNJSQZSA-N 391.383 3.386 30 40 GGEB N#Cc1ccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)cc1 32437761 VPFFPKXKHMGRFK-UHFFFAOYSA-N 383.404 3.363 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 850217 IVISDYDMLJIUML-OAHLLOKOSA-N 386.404 3.085 30 40 GGEB COc1ccc(/C(C)=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 5895781 ATNSMTKVEKZTAQ-GZTJUZNOSA-N 383.267 3.160 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)c1 10423049 NESFZPBQXSSVTP-UHFFFAOYSA-N 394.406 3.206 30 40 GGEB O=C(C[C@@H]1S/C(=N\C2CCCC2)NC1=O)Nc1cc([N+](=O)[O-])ccc1Cl 2646397 AMNBAYWWKQXALU-ZDUSSCGKSA-N 396.856 3.107 30 40 GGEB CCN/C(=N\c1ccccc1)S[C@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 103458532 YUBGAOXCNWKCOC-INIZCTEOSA-N 397.456 3.047 30 40 GGEB N#Cc1cnn(-c2ccc(C(=O)Nc3ccc(Br)cc3)cc2)c1N 57964225 GWIDUEXOFCARNM-UHFFFAOYSA-N 382.221 3.341 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1cccc(C)c1)C2=O 2441806 XIKSXCBBLSUCMM-STZFKDTASA-N 397.471 3.412 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3C(=O)O)cc2C1=O 8429638 IDWGKXIOKTYNMG-UHFFFAOYSA-N 384.775 3.073 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)Cn3cnc4sccc4c3=O)c2C#N)C1 12986997 LKIPFVKGZBCBPG-JTQLQIEISA-N 384.486 3.155 30 40 GGEB O=C(/C=C/c1ccc(Cl)cc1)c1c(O)[nH]c(=O)n(CCc2ccccc2)c1=O 9108962 NGYOJHNMRXVBBT-DHZHZOJOSA-N 396.830 3.034 30 40 GGEB Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)Nc3cccc(C#N)c3)c12 97134575 OMTTUMVLNNQASH-UHFFFAOYSA-N 376.372 3.076 30 40 GGEB C=CCOc1c(CC=C)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409407864 VRYCUSUGEKSWHX-CPLUKWAASA-N 392.455 3.130 30 40 GGEB Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccc(O)c([N+](=O)[O-])c1)CCCC3 408719116 FHLTYUGPLSNZQZ-DJKKODMXSA-N 384.417 3.141 30 40 GGEB C=CCOc1ccc(NC(=O)c2cccc(N3CCCCS3(=O)=O)c2)cc1 222554762 MLMWAKBFHFBWNL-UHFFFAOYSA-N 386.473 3.434 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)CC[C@@H]2CCCO2)cc1C(F)(F)F 48514311 HEGFUCYDVNOMBS-NSHDSACASA-N 376.356 3.181 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)c1 225881936 LFZSFSYNUXUQPR-UHFFFAOYSA-N 386.473 3.351 30 40 GGEB CCOC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242548484 LNERLULUPMWVLJ-PWRODBHTSA-N 385.485 3.490 30 40 GGEB CC(C)(C)/C(CC(=O)CCC(=O)Nc1ccc(Cl)cc1)=N/NC(N)=S 17188823 YTLRSAJPGCKUHX-KGENOOAVSA-N 382.917 3.253 30 40 GGEB CC(C)Oc1ccc(C(=O)N2CC[C@H]3CN(c4ccc(C#N)cn4)C[C@H]32)cc1 1889148947 YCLFFGIZVCXWQL-AZUAARDMSA-N 376.460 3.091 30 40 GGEB Cc1cc(C)n(N2C(=O)C[C@H](c3ccsc3)C3=C2CCCC3=O)c(=O)c1C#N 6667836 HRNJPHYHHIEYBA-OAHLLOKOSA-N 393.468 3.058 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)cc2)cc1 1775979069 ZEYRRJUVEUXYQH-GOSISDBHSA-N 384.482 3.299 30 40 GGEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)C1CCCCC1 102714094 ROYVTCJARCSFKX-XSAFGROZSA-N 396.509 3.007 30 40 GGEB C=CCN1C(=S)N[C@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C 10354455 MQQLTLRQMGCJDF-QGZVFWFLSA-N 386.452 3.452 30 40 GGEB CCC(=O)c1ccc(OCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 8191331 PSGUOKZMYRREGZ-AWEZNQCLSA-N 380.400 3.100 30 40 GGEB O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 3176687 POTJIHLOZUFJMQ-FMIVXFBMSA-N 387.461 3.182 30 40 GGEB CC(=O)[C@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 22001730 WQUXBQVUVGNOKK-CGDAUVCTSA-N 383.488 3.020 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 25320142 LXYBNPDEUCZUDB-UHFFFAOYSA-N 377.444 3.372 30 40 GGEB N#Cc1ccc(NC(=O)/C(=C/c2ccco2)n2nnnc2-c2ccccc2)cc1 23054885 GYUJQLAVPPZTER-UYRXBGFRSA-N 382.383 3.442 30 40 GGEB C#CCOc1ccc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC 409391093 HBAIBYIHXRCYFH-NDENLUEZSA-N 390.464 3.094 30 40 GGEB C=C(C)CN(CC)C(=O)COC(=O)c1c(NC(C)=O)sc2c1CCCC2 6325277 OBOWFJSHTDCMAA-UHFFFAOYSA-N 378.494 3.167 30 40 GGEB COc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(C)cc3)c(C#N)c2=O)cc1 409205296 BEUNPVLHGCZAFA-GHXNOFRVSA-N 387.395 3.290 30 40 GGEB N#Cc1ccccc1CS(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 7323596 YNDNJRVJZGJLBZ-UHFFFAOYSA-N 395.440 3.023 30 40 GGEB COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC#N)nc2c1 7807396 AIXQNYSLEKNYGN-UHFFFAOYSA-N 375.431 3.253 30 40 GGEB O=C1/C(=C/c2cccc(O)c2)N(Cc2ccncc2)S(=O)(=O)c2ccccc21 9422929 LDOGFQJDGHHSBF-UYRXBGFRSA-N 392.436 3.216 30 40 GGEB COc1ccccc1[C@H]1C(C(=O)c2ccc(C)cc2)=C(O)C(=O)N1CCC(=O)O 19904217 JKBLFFSMYXUFHE-IBGZPJMESA-N 395.411 3.057 30 40 GGEB COc1cccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)c1 408867142 JNPMBKGYTCOSCX-LPYMAVHISA-N 377.400 3.294 30 40 GGEB COc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)cc1 408783947 QXTHXMRVHREYJG-LPYMAVHISA-N 377.400 3.294 30 40 GGEB N#C[C@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218211755 SNTUKNOLCVFLLZ-YESZJQIVSA-N 390.258 3.098 30 40 GGEB N#Cc1ccc(CS(=O)(=O)N2CC3(CCOCC3)[C@@H]2c2ccccc2)cc1 566785992 SWQMFLFWVSLVRN-FQEVSTJZSA-N 382.485 3.242 30 40 GGEB Cc1sc2nc(SCC(=O)NCCC#N)n(C3CCCC3)c(=O)c2c1C 12750317 OHCJHBUFWLDJEW-UHFFFAOYSA-N 390.534 3.312 30 40 GGEB CC(C)CC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5205051 NCJMZROTOYPMFB-CMQBPOAVSA-N 394.562 3.458 30 40 GGEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)C1CCCCC1 18036751 ROYVTCJARCSFKX-VXAPJYQHSA-N 396.509 3.007 30 40 GGEB COc1ccc(NC(=O)CN2CCCN(c3ccccc3C#N)CC2)cc1Cl 52800946 PFVLHGMJXMNNIE-UHFFFAOYSA-N 398.894 3.371 30 40 GGEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1C 5488277 TXKOMLCMGVWBOR-OFXSGMSSSA-N 386.926 3.050 30 40 GGEB O=C(/C=C/c1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1 6561704 NNFMEDJCUJTYOX-YCRREMRBSA-N 385.441 3.096 30 40 GGEB CN(C)/N=C1\C(=O)N(CN2CCC(Cc3ccccc3)CC2)c2ccccc21 55211488 UBTNLCDBSAXSDQ-GYHWCHFESA-N 376.504 3.211 30 40 GGEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507927 PSHWVZZHJHWOQQ-SMXHQDLGSA-N 380.535 3.212 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)Nc1ccc(F)cc1)OCO3 35291478 BJEUVYJXZPVTKO-UHFFFAOYSA-N 393.378 3.208 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C 32506705 PQZCNCJPKDCYAK-SMXHQDLGSA-N 380.535 3.033 30 40 GGEB NC(=O)c1ccccc1OCC#CCNC(=O)c1ccc(-c2ccccc2)cc1 90610518 PGABUOFEPXMOMI-UHFFFAOYSA-N 384.435 3.265 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccccc2)N2NN=NC2=N1 719212 OHZLAWKDSRRCRP-MRXNPFEDSA-N 395.806 3.248 30 40 GGEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCN(C)CC2)C1=O 22468195 ROSFESWROACWHK-STZFKDTASA-N 394.471 3.155 30 40 GGEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(=O)O)cc2)n2ncc(C#N)c2N1 8991895 VHYGMDJJVBEIIE-LJQANCHMSA-N 399.410 3.381 30 40 GGEB CC(C)c1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1 104220389 ZXOCXPMWSQOPNQ-WOOAAIBNSA-N 382.460 3.386 30 40 GGEB COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(O)c2)c1 21259490 KQXOVBPLQTWSTL-NVXWUHKLSA-N 393.439 3.414 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 41520164 RYXCTPCUMDQCQM-INIZCTEOSA-N 389.502 3.116 30 40 GGEB N#Cc1ccc(CN(CN2C(=O)CC3(CCCC3)C2=O)CC(F)(F)F)cc1 48365726 NPWBXCKESBOMSI-UHFFFAOYSA-N 379.382 3.199 30 40 GGEB CN1C(=O)C[C@@H](C(=O)NCCc2ccccc2)S/C1=N\c1cccc(F)c1 4700707 IJANXJWKLHEXKA-DVCONVQISA-N 385.464 3.136 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCOC)cc1 6813288 HCELGSIXCYVLCY-LJQANCHMSA-N 397.427 3.378 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H](C)N2Cc3ccccc3C2=O)n1 95476708 DAJGSZWRZIVWHQ-LBPRGKRZSA-N 377.404 3.113 30 40 GGEB CN1C2=C(C(=O)CCC2)C(c2cccc(OCC(=O)O)c2)C2=C1CCCC2=O 409075616 SJGYMWHNZLKMFG-UHFFFAOYSA-N 381.428 3.193 30 40 GGEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@@H]1c1cccc(F)c1)c1ccccc1 17206042 BUZFOHOWVMKMOJ-QGZVFWFLSA-N 375.359 3.399 30 40 GGEB Cc1ccc(S(=O)(=O)n2cc([C@@H](C#N)N3CCOCC3)c3ccccc32)cc1 35588025 BJEWVNVBWARRHG-OAQYLSRUSA-N 395.484 3.084 30 40 GGEB COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 20025262 QKICSLINYRLUNT-FQEVSTJZSA-N 394.471 3.225 30 40 GGEB Cc1ccc(/C=N/OCc2nc3c4c5c(sc4ncn3n2)CN(C)CC5)cc1 20566553 YLMKRBUCSUPBFM-LSFURLLWSA-N 392.488 3.186 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc(F)cc3)nnc12 3590558 GUVGRBPWBTXJGY-UHFFFAOYSA-N 394.431 3.344 30 40 GGEB CSc1ccc(NC(=O)CN2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 39935300 FUWDFVGZDGRDFY-UHFFFAOYSA-N 394.544 3.427 30 40 GGEB CN(C(=O)COC(=O)CSc1ccc2c(c1)CCC2)C1(C#N)CCCCC1 5268762 NCFMFGQSQZYZJA-UHFFFAOYSA-N 386.517 3.495 30 40 GGEB CC(C)(C)c1csc(-n2cc(C(=O)c3ccccc3O)cc(C#N)c2=O)n1 14184467 WPMFQGBETHFGLL-UHFFFAOYSA-N 379.441 3.400 30 40 GGEB C[C@@H]1Cc2cc(S(=O)(=O)N(CCC#N)Cc3ccccn3)cc(Cl)c2O1 97590921 JEAKQKGYDMUXMZ-CYBMUJFWSA-N 391.880 3.163 30 40 GGEB CCOc1cc(/C=N/NCc2ccccc2OC)cc(Cl)c1OCC(=O)O 20763302 ITQHKTRSYJMAGS-UFFVCSGVSA-N 392.839 3.334 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32508260 OHKUZZUEQVOIOI-WMEZAZGNSA-N 380.535 3.095 30 40 GGEB C=CCN1CCC(NC(=O)[C@@H](C)Oc2nn(-c3ccccc3)cc2Cl)CC1 227153000 BLNJXRBYFBVNGN-OAHLLOKOSA-N 388.899 3.060 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)cc1 223896960 ZAWSIWAJBCCHJV-UHFFFAOYSA-N 389.473 3.167 30 40 GGEB C[C@@]12CC[C@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C=O)[C@@]13O[C@H]3C[C@H]2c1ccc(=O)oc1 584578895 LFLJTMIVTFTLOA-DOKLZRDQSA-N 398.499 3.437 30 40 GGEB CCN1C(=O)/C(=C\c2ccc(OCC(N)=O)cc2)S/C1=N\c1ccc(C)cc1 8362942 KQQASFHGWLNHFS-HPJGCCTDSA-N 395.484 3.483 30 40 GGEB CCOc1ccc2c(c1)s/c(=N\C(=O)c1ccc(C#N)cc1)n2CCOC 100873211 CJKPVXDYNGENKK-XDOYNYLZSA-N 381.457 3.361 30 40 GGEB COc1ccccc1/C=C/C(=O)Nc1c(C#N)c(C)nn1-c1nc(C)cc(C)n1 10382125 MLNKFGCSFKBIGZ-MDZDMXLPSA-N 388.431 3.120 30 40 GGEB N#Cc1ccc(OCCOC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 12638613 DIFPSOGLFCULOL-UHFFFAOYSA-N 381.388 3.302 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1ccc([N+](=O)[O-])cc1 6001722 JBJCKRYJYNBWEW-CQSZACIVSA-N 398.444 3.355 30 40 GGEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(SC)cc2)C1=O 409082549 SUBBOOBNAAGXTB-RAXLEYEMSA-N 377.487 3.366 30 40 GGEB COc1ccc(/C(C)=N\Nc2cc(C)nc(N3CCOCC3)n2)cc1Cl 4857617 YYLRLXSKGOWWDX-XKZIYDEJSA-N 375.860 3.120 30 40 GGEB C=CCSc1nc(O)c2c(n1)N=C(O)C[C@H]2c1cc(OC)c(O)c(OC)c1 9012460 ZCXMCYALKNWTBQ-JTQLQIEISA-N 389.433 3.307 30 40 GGEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1OC(C)C 409358338 LJWFEZVZFMMCNJ-UHFFFAOYSA-N 387.823 3.434 30 40 GGEB C=CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(Cl)cc2)c1 408552071 NVQWXAFDZFOYJA-UHFFFAOYSA-N 380.853 3.065 30 40 GGEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32507929 PSHWVZZHJHWOQQ-WMEZAZGNSA-N 380.535 3.212 30 40 GGEB C=CCOc1ccc(NC(=O)[C@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 260838487 SEHOEPKKISIXLJ-KKSFZXQISA-N 398.484 3.107 30 40 GGEB CCc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C)cc1 18127037 IMCJGHDRVJOYTH-LJQANCHMSA-N 381.428 3.474 30 40 GGEB C#CCOC(=O)c1ccc(OCc2cccnc2)c(I)c1 226321176 UBRYJAKUDMOBNL-UHFFFAOYSA-N 393.180 3.055 30 40 GGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 6072795 NDVNLUIIAXDMSP-WDDBSPGISA-N 384.384 3.260 30 40 GGEB biogenic CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1ccc(C#N)c(Cl)c1 3586338 GBPZAFXZTIEROF-UHFFFAOYSA-N 391.258 3.374 30 40 GGEB Cc1c(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCN3)c2)oc2ccccc12 35306561 FVVMQLFIBZDKHC-UHFFFAOYSA-N 397.456 3.464 30 40 GGEB C[C@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1cccc([N+](=O)[O-])c1 22608228 BUCQPQVWHAQINE-CLAHSXSESA-N 393.325 3.473 30 40 GGEB CCCC(=O)N1CCN(c2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)CC1 6317941 BZEOUTRJYMDRGT-PXLXIMEGSA-N 396.447 3.500 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccco2)cc1OC 18218034 LNHZWBGOBBBYFG-RNODOKPDSA-N 392.415 3.304 30 40 GGEB Cc1ccc(NC2=NNC(=C3C=CC(=NS(C)(=O)=O)C=C3)CS2)cc1C 9471044 ISASMUNNHOXESW-UHFFFAOYSA-N 388.518 3.103 30 40 GGEB CC(C)COC[C@@H](O)CNC(=O)c1ccccc1Sc1ccccc1C#N 84544435 SMYPPQLSRGQMLB-KRWDZBQOSA-N 384.501 3.473 30 40 GGEB COc1ccc(-c2n[nH]c(/N=C(\O)CN3Cc4ccccc4C3)n2)c(OC)c1 89434868 ZMYWRGKMOBWOLY-UHFFFAOYSA-N 379.420 3.093 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 552474825 AHJZWTMGARMZHN-CQSZACIVSA-N 385.851 3.444 30 40 GGEB N#Cc1ccc(N=c2[nH]c([C@@H]3CCCN(Cc4ccncc4)C3)cs2)cn1 585294378 DKTSCWKKORTDBF-MRXNPFEDSA-N 376.489 3.350 30 40 GGEB COc1ccc(-c2n[nH]c(/N=C(\O)[C@@H](C)Oc3cccc(C#N)c3)n2)c(OC)c1 60330353 HGMHCSPWOBQBJZ-GFCCVEGCSA-N 393.403 3.416 30 40 GGEB Cc1cccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)c1C 13573248 SDKNZXVRLGXNIW-QGZVFWFLSA-N 378.457 3.427 30 40 GGEB COC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(Cl)c(Cl)c1 101348572 ZEPMZIVJWHYAGI-KPCOEVGBSA-N 382.243 3.249 30 40 GGEB CC(C)c1cccc(NC(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 22059353 ZZBYSDOSUAYMSC-QFIPXVFZSA-N 390.443 3.087 30 40 GGEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 662893 CGSRDWBANIZSDT-MHWRWJLKSA-N 398.238 3.060 30 40 GGEB CC/N=C1/S[C@@H](CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)N1CC 6671800 VLSFVWSBNYAQMT-HMWBCQRISA-N 383.901 3.325 30 40 GGEB N#CCCN(C(=O)CSc1nnnn1C1CCCC1)c1cccc(Cl)c1 16372074 XWDKOMADXLWTMS-UHFFFAOYSA-N 390.900 3.481 30 40 GGEB Cn1c(N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)nc2ccccc21 408652925 IPRKKGOKUOYXER-CAOOACKPSA-N 390.197 3.396 30 40 GGEB N#C[C@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 218434652 RHKZGZVVHFEOJX-YESZJQIVSA-N 382.268 3.435 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503498 SKKSZAPTZJXDMI-RWOJDECJSA-N 394.562 3.458 30 40 GGEB C=C(Cl)COC(=O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 245377423 LEWPSHYXLMDCIT-RKLWJJNISA-N 376.796 3.267 30 40 GGEB CC(C)Oc1c(Br)cc(Br)cc1/C=N/n1cnnc1 5284784 WJXVSOHXGLJSLT-YAXRCOADSA-N 388.063 3.473 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](CC)C3)n1C 10440150 XQXUAKYHYAFCOT-GFCCVEGCSA-N 376.551 3.453 30 40 GGEB N#CCSc1nnc2[nH]c3c(c(=O)n12)C1(CCCCC1)Cc1ccccc1-3 101034790 KHZIRJDZSZTMPI-UHFFFAOYSA-N 377.473 3.458 30 40 GGEB biogenic C=CC(=O)/N=C1/N=C2C=CC(I)=CN2Cc2ccccc21 101192126 QOMVNCOVPYPCPT-KNTRCKAVSA-N 389.196 3.206 30 40 GGEB C=CCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Cl 2956567 ZWYNJSBPDITZQB-YBEGLDIGSA-N 384.819 3.142 30 40 GGEB C=CCN(c1ccc(C(=O)NCc2ccc(Cl)cc2)cc1)S(C)(=O)=O 4816404 IGXSEEFPZYNLAY-UHFFFAOYSA-N 378.881 3.222 30 40 GGEB C=CCN1C(=S)N[C@@H](c2ccccc2F)C(C(=O)Nc2cc(C)on2)=C1C 10354454 FIAZYORPYPYLAB-KRWDZBQOSA-N 386.452 3.452 30 40 GGEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc4c(c3)OCO4)C(=O)N2C)cc1 1011661 RDSKESDAKIAMHQ-KQHCDTJNSA-N 396.424 3.436 30 40 GGEB O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCN2)cc1)c1ccc(Cl)cc1 34870109 KGEPBMQVZXGTSE-UHFFFAOYSA-N 377.853 3.063 30 40 GGEB O=C(/C=C/Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1 101358683 VGPHLZDEWAMPLW-SDNWHVSQSA-N 380.429 3.086 30 40 GGEB N#Cc1ccccc1CSCCNC(=O)COC(=O)c1c(F)cccc1F 8724316 JMDRSERKUNWYET-UHFFFAOYSA-N 390.411 3.043 30 40 GGEB CC(C)N1C(=O)[C@@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 4553733 INSZZTVJIIVLKE-FGBWHXJSSA-N 379.412 3.031 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3Cl)C2=O)cc1 408800592 PZVZCRYOLYMTDK-NTCAYCPXSA-N 380.787 3.018 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(OCC#N)c1 409282137 GEKKSHSBZHAJSX-UHFFFAOYSA-N 397.232 3.252 30 40 GGEB Cc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218419470 OJTOXKODBHAJFI-JZXOWHBKSA-N 375.833 3.183 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(O)cc2)cc1 9330686 JPJCHPZHTNZQGJ-BTYIYWSLSA-N 388.427 3.408 30 40 GGEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)Oc1cccc(Cl)c1Cl 40140246 OKQURRKZBWFFCK-UHFFFAOYSA-N 377.187 3.070 30 40 GGEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(F)cc1 102648851 XDTJXBPHPLNDFZ-SELCWUDQSA-N 383.375 3.112 30 40 GGEB COC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(O)c(OC)c3)C(=O)N2C)cc1 1012295 JPDYKIGGASBRNF-YBLIXAOFSA-N 398.440 3.421 30 40 GGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCCC)c(OC)c1 28290305 WJHRWDAQKUUFKX-SFHVURJKSA-N 390.505 3.396 30 40 GGEB CN(C(=O)Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)C1(C#N)CCCCC1 7583625 MWXPQJJHVNSOGW-UHFFFAOYSA-N 392.385 3.044 30 40 GGEB N#C[C@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242522418 ISBNIDBREBKGJB-INMHGKMJSA-N 379.796 3.013 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)[C@]2(C#N)C(=O)O)cc1 242648313 QRNWOCVUAQFZNO-JZXOWHBKSA-N 375.833 3.183 30 40 GGEB O=C1/C(=C/c2ccco2)SC(=S)N1/N=C/c1cc([N+](=O)[O-])ccc1O 16669835 VCJMXDFHKLFCBM-QBZWNVLOSA-N 375.387 3.129 30 40 GGEB Cc1ccc(-c2csc(C3=C(N)N(C[C@@H](O)c4ccccc4)CC3=O)n2)cc1 7002395 GPJBTGCUHDTTNP-GOSISDBHSA-N 391.496 3.364 30 40 GGEB COC(=O)[C@@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(Cl)c(Cl)c1 101348573 ZEPMZIVJWHYAGI-OWCSCZDJSA-N 382.243 3.249 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 102932733 RAJJDHWBWNZERW-UDOZCRMJSA-N 393.439 3.296 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(Cl)cc2)[C@H](c2ccccc2)N2NN=NC2=N1 719213 OHZLAWKDSRRCRP-INIZCTEOSA-N 395.806 3.248 30 40 GGEB COc1cc(/C=N/N2CCN(c3ccccc3)CC2)cc(Br)c1O 1477301 XKAVAODDDAYQIL-DEDYPNTBSA-N 390.281 3.319 30 40 GGEB CCOc1ccccc1-n1cc(C(=O)c2cc(OC)ccc2O)cc(C#N)c1=O 3252329 IHXCDHWLSGSAQG-UHFFFAOYSA-N 390.395 3.053 30 40 GGEB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cc(Cl)ccc1C#N 3303647 CVOAODZGZGVQRP-UHFFFAOYSA-N 394.214 3.251 30 40 GGEB N/C(=N\C[C@@H]1CCCO1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 58197978 CQKYPNKCBNBWLG-FQEVSTJZSA-N 375.476 3.123 30 40 GGEB N#Cc1ccccc1NC(=O)CCn1nnc(-c2cccc(C(F)(F)F)c2)n1 12937421 ZMPXRLTUZFALNZ-UHFFFAOYSA-N 386.337 3.259 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)c1C 4890473 GICCDEKOTUWYNU-UHFFFAOYSA-N 380.444 3.457 30 40 GGEB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccc(C#N)cc2)CCO1 96116728 FCBXJOKJNXLPGA-RHSMWYFYSA-N 398.488 3.365 30 40 GGEB C=CCOc1cc(Br)c(/C=C2/NC(=O)N(CCC)C2=O)cc1OC 409221686 UVLVKXVWNXJZMV-MDWZMJQESA-N 395.253 3.325 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 32506154 YTBRRPASBNGMLU-UOOAFGRTSA-N 394.562 3.341 30 40 GGEB C=CCNC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224313922 LXNIJMSNZPYGLP-UHFFFAOYSA-N 378.881 3.389 30 40 GGEB N#Cc1ccc(CN2CC[C@H](NC(=O)N3CCCC4(CCCC4)CC3)C2=O)cc1 596582250 FRSACTDPHZWNAD-FQEVSTJZSA-N 394.519 3.415 30 40 GGEB CCC(=O)/N=C(\NCCc1c[nH]c2ccc(F)cc12)Nc1nc(C)cc(C)n1 18063657 NNBXQUBUGKWFFR-UHFFFAOYSA-N 382.443 3.251 30 40 GGEB COc1cc(OC)cc(C(=O)NCCNc2nc3c(C)cccc3cc2C#N)c1 4881255 CPVLLDYPLKNVRR-UHFFFAOYSA-N 390.443 3.274 30 40 GGEB O=S(=O)(/N=C(\O)CCc1ccccc1F)c1ccc2c(c1)OCCCO2 42338559 QKDACQYRKLATMZ-UHFFFAOYSA-N 379.409 3.265 30 40 GGEB N#Cc1ncc(C(F)(F)F)cc1S(=O)(=O)c1ccc(C(F)(F)F)cn1 1385429 ILDCYKZQWRFPOL-UHFFFAOYSA-N 381.257 3.219 30 40 GGEB CCOc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2C#N)cc1 5034126 ASABTUGYFDJQGE-ZDUSSCGKSA-N 394.460 3.052 30 40 GGEB Cc1cc(C)n2nc(CC(=O)Nc3sc4c(c3C#N)CCCCC4)nc2n1 6661982 YHDPGSXXGCRGKR-UHFFFAOYSA-N 380.477 3.124 30 40 GGEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc(C(F)(F)F)c1 408529084 BZWJDFCHXSZYOM-GVARAGBVSA-N 393.365 3.291 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)c(C)c2)cc1 38755228 JWDUXMSZMDRQFR-UHFFFAOYSA-N 386.473 3.487 30 40 GGEB CCOc1cc(/C=C/C(=O)ON2C(=O)CCC2=O)ccc1OCc1ccccc1 97942950 XWBOVOYQSHWKMN-UKTHLTGXSA-N 395.411 3.285 30 40 GGEB COc1ccc(/N=C2/S[C@H](C(=O)O)CC(=O)N2Cc2ccc(F)cc2)cc1 100129369 JOXVGGYOQNXJSI-YGCDDZCOSA-N 388.420 3.441 30 40 GGEB C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OC)c1OCc1ccc(F)cc1 4526095 JZPFALPIXJHRPT-YVLHZVERSA-N 382.391 3.322 30 40 GGEB N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)oc1NCc1ccco1 12421174 ZYSKGKUDDXRPSD-UHFFFAOYSA-N 398.444 3.203 30 40 GGEB COc1ccc([C@@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1O 20028851 KUMMPOVORRSXON-OAQYLSRUSA-N 396.487 3.381 30 40 GGEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCC(=O)O 4739748 CLUYPHNSFOMGEO-JLWPNQNFSA-N 392.477 3.248 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2cccc(O)c2)no1 102872918 OWIHCQUVLHUMIL-GROYHEBESA-N 380.356 3.216 30 40 GGEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1O 1007742 CKJUQAXFXNYHHZ-ZDWRFWLISA-N 384.413 3.333 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C)o1)C2=O 2350878 DPVMFSSQCHEBLZ-UNOMPAQXSA-N 387.432 3.005 30 40 GGEB C[C@@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1ccccc1Cl 12895001 XMCOLAOEIFXOTM-HNNXBMFYSA-N 390.915 3.284 30 40 GGEB CCOC1(OCC)[C@H](c2ccccc2OC)C(C#N)(C#N)C1(OCC)OCC 4568242 XETJQUFZPCDIRM-GOSISDBHSA-N 388.464 3.365 30 40 GGEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](C)(c2cccc3ccccc23)C1=O 7783799 GDWUOZDKTJHKKW-JOCHJYFZSA-N 379.460 3.031 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 852713 IODAQPOKPQCAQF-LQDNNDEMSA-N 379.415 3.436 30 40 GGEB biogenic CN1C/C(=C\c2ccc(C(=O)O)cc2)C(=O)/C(=C/c2ccc(C(=O)O)cc2)C1 31818588 XGQLCAXJLKEWEU-XOBNHNQQSA-N 377.396 3.065 30 40 GGEB C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)cn1 225921253 XETMTQJJVVILFJ-UHFFFAOYSA-N 384.432 3.345 30 40 GGEB COc1ccc(/C=C/C(=O)c2c(O)cc(C)oc2=O)cc1Cn1nc(C)cc1C 227173041 YLNDVCXHOCWAQX-FNORWQNLSA-N 394.427 3.420 30 40 GGEB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)C1 4264004 YCSKQTZGVJQLBX-HNNXBMFYSA-N 383.473 3.231 30 40 GGEB CCOC(=O)c1ccc(-c2ccc(/C=N\NS(=O)(=O)c3ccccc3)o2)cc1 17081457 RTIFFZQKEVPVNE-STZFKDTASA-N 398.440 3.436 30 40 GGEB C=C1[C@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H]1C(=O)Nc1ccc(N(C)C)cc1 858502 NKRUYCRTWIOVKU-PMACEKPBSA-N 378.476 3.198 30 40 GGEB N#Cc1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 3260005 URDYMNZDLRUHNQ-UHFFFAOYSA-N 398.484 3.480 30 40 GGEB COc1cccc(/C=N/c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)c1OC 6049129 KNVXZFGYHVTHDD-YBFXNURJSA-N 382.869 3.358 30 40 GGEB N#Cc1ccccc1-c1ccc(CN2CCc3cc(S(N)(=O)=O)ccc32)cc1 14855887 XNQDARNVEZHRRZ-UHFFFAOYSA-N 389.480 3.435 30 40 GGEB Cc1nc2sc(C(=O)OCc3cn4ccccc4c3C#N)c(C)c2c(=O)[nH]1 14901858 NJBNSLUSDWDFSR-UHFFFAOYSA-N 378.413 3.083 30 40 GGEB N#Cc1ccsc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 8037008 VZQVOJSMMDLIBS-UHFFFAOYSA-N 395.893 3.310 30 40 GGEB Cc1nn(C)c(C)c1/C=C/C(=O)OCC(=O)/C=C1\N(C)c2ccccc2C1(C)C 39573368 VPRCJPIQMCLGOH-CMBOEDIMSA-N 393.487 3.474 30 40 GGEB CCOc1cc(C=N/N=C2\C(=O)Nc3ccc(Br)cc32)ccc1O 254573179 OKZHKEPSQHAPRA-UHFFFAOYSA-N 388.221 3.329 30 40 GGEB COC(=O)/C=C1\S/C(=N/C(=O)c2ccccc2)N(c2cccc(C)c2)C1=O 1238359 IKVYTSRSEPNSJB-DTUNMPPYSA-N 380.425 3.328 30 40 GGEB CCOC(=O)[C@@]1(C)/C(=N/Nc2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1 2276439 XUZCHJDOJIUOTM-YYTOJMEDSA-N 399.834 3.046 30 40 GGEB C[C@@H](Cc1ccccc1)NC(=O)CO/N=C/c1cc(Br)ccc1O 5662435 QEVIABANTNSQCU-HSWQHBDASA-N 391.265 3.253 30 40 GGEB COc1ccc2[nH]c3c(=O)n(/N=C\[C@H]4[C@@H](C)C=C(C)C[C@H]4C)c(=O)[nH]c3c2c1 6295014 VJKINILCVSZAGY-PQKDENJGSA-N 380.448 3.252 30 40 GGEB C#CCOc1ccc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)cc1OC 100141010 QQVCHHWYZLYRBC-HKUYNNGSSA-N 388.471 3.320 30 40 GGEB COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2Cl)cc1 3271812 UATGRCMFGGJCGK-OAHLLOKOSA-N 380.835 3.258 30 40 GGEB COc1ccc(Cl)cc1NC(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 2070420396 ZIYMTHZBLNNSHD-YOEHRIQHSA-N 397.866 3.358 30 40 GGEB C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(Cl)cc3)no2)c1=O 38655424 XRRFVMFIWSHVRL-UHFFFAOYSA-N 394.818 3.101 30 40 GGEB N#Cc1ccc(CCC(=O)N[C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206787321 LKLQFPPWRBQAMI-QGZVFWFLSA-N 388.393 3.300 30 40 GGEB CC1CCN(C2=NC3(CCN(Cc4ccccc4)CC3)[C@@H](C#N)C(O)=N2)CC1 20673314 PJIUFYBHIBFYLH-IBGZPJMESA-N 379.508 3.219 30 40 GGEB C=C(C)CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20735435 HBIDOVKRUCDGAS-QGZVFWFLSA-N 392.297 3.250 30 40 GGEB N#CCCN(C(=O)COC(=O)c1cc(=O)c2ccccc2o1)c1ccc(F)cc1 3530076 SQHVWHWBYXKYDM-UHFFFAOYSA-N 394.358 3.036 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2nnc(C)s2)cc1 102716020 UWRMAWYQAMJXDX-DPEHCCBOSA-N 397.412 3.074 30 40 GGEB COCc1cc(C)nc(N/N=C/c2cc(Br)c(O)cc2O)c1C#N 4797926 OFQGUOXYQREMLJ-FBCYGCLPSA-N 391.225 3.028 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(C)cc1 102925653 CPWXKBRPARSERY-YDJIHCHBSA-N 395.455 3.380 30 40 GGEB C=CCOc1ccc(CNCCCSc2nnnn2-c2ccccc2)cc1 6856063 PFQVSWOTMCIDMO-UHFFFAOYSA-N 381.505 3.499 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 100301598 KFTVOWXKQNSPKK-TWRDJQHTSA-N 376.387 3.473 30 40 GGEB C=C(Br)CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1 57994928 NEBWWZOKCOLUNE-UHFFFAOYSA-N 395.278 3.126 30 40 GGEB COCc1cc(C)nc(N/N=C/c2ccc(O)c(Br)c2)c1C#N 59433705 ZPWIDNSUSSBADP-UFWORHAWSA-N 375.226 3.322 30 40 GGEB Cc1c(C#N)c(NC(=O)COc2ccc3c(c2)OCO3)n(Cc2ccco2)c1C 13655058 ILHNGSVKXLCVQK-UHFFFAOYSA-N 393.399 3.364 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)OCc3ncc(-c4ccccc4)o3)cc2C1=O 5569675 OJLLGWRBMUPSNL-UHFFFAOYSA-N 388.379 3.481 30 40 GGEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N\S(=O)(=O)c1ccc(F)cc1 8654242 JQDFYTFTHOJDRS-FEGCFHEDSA-N 380.422 3.100 30 40 GGEB Cc1cc(C)c(C#N)c(OCC(=O)N2CCc3cc(Br)ccc32)n1 96248313 QYRSSNIHQJTDDR-UHFFFAOYSA-N 386.249 3.301 30 40 GGEB N#Cc1ccc(S(=O)(=O)CCN2CCc3cc(Br)ccc32)cc1 89781007 NDOVRFDOTCBFBL-UHFFFAOYSA-N 391.290 3.157 30 40 GGEB O=[N+]([O-])c1cc(/C=N/Nc2c(F)c(F)c(F)c(F)c2F)c(O)c([N+](=O)[O-])c1 408735535 ROGUVNCKMJZYFP-QBROUFQSSA-N 392.196 3.350 30 40 GGEB C#CCOc1c(Cl)cc(/C=C(\Sc2n[nH]c(CC)n2)C(=O)O)cc1OC 213405866 YSACEXJMXVDXDA-LCYFTJDESA-N 393.852 3.259 30 40 GGEB C=CCn1c(SC[C@H](O)COc2ccc(F)cc2)nnc1-c1ccncc1 41689997 FCKMCRAZKJCNHJ-MRXNPFEDSA-N 386.452 3.197 30 40 GGEB CC[C@H](NC(=O)N[C@@H]1CCCC[C@H]1C#N)[C@H]1CN(Cc2ccccc2)CCO1 596485348 HHCZQTABOZKKOZ-UWHLTILDSA-N 384.524 3.048 30 40 GGEB O=C(/C(=C(/S)NCc1ccco1)[n+]1ccccc1)c1ccc2c(c1)OCCO2 21540713 VGYTYZFYLOVZFH-UHFFFAOYSA-O 395.460 3.067 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccco1 102727054 QMLHIWZYLNLSKF-IDTYTIONSA-N 381.775 3.349 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 6314351 VLCDCLZDGYXSHZ-UHFFFAOYSA-N 376.434 3.289 30 40 GGEB C=CCc1ccccc1OC[C@H](O)CN1CCC(NC(=O)c2ccccc2)CC1 25305195 RJYKJSUGJDFTRW-JOCHJYFZSA-N 394.515 3.049 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(O)c(OC)c1 6238884 HHYIYTUOPBRSDI-IBGZPJMESA-N 397.427 3.016 30 40 GGEB COc1ccc(C(=O)N[C@H](CCSC)C(=O)Nc2ccc(C#N)cc2)cc1 8326974 NCPSGOFNQZXKQG-GOSISDBHSA-N 383.473 3.057 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C(\N=N\c2ccc(C(=O)O)cc2)c2ccccc2)n1 36594795 LYGOOYSZLYPAOV-IJDGQVCGSA-N 376.376 3.334 30 40 GGEB CN/C(=N\c1cccc(OC)c1)S[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 18113917 BQQQUQMIWJTRAE-INIZCTEOSA-N 387.436 3.107 30 40 GGEB N=C1NN(C(=O)c2ccccc2)C(=N)/C1=N\Nc1ccc(Cl)cc1Cl 18151966 PFCSKBHZTNYRGZ-DALDUQHESA-N 375.219 3.376 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 795046 QPCLOHNBOQLQPF-LPHOPBHVSA-N 397.427 3.436 30 40 GGEB COC(=O)c1ccc2c(c1)CCN2C(=O)c1c(C)oc(-n2cccc2)c1C#N 25183091 NPHXJVZMVBLPAV-UHFFFAOYSA-N 375.384 3.240 30 40 GGEB COc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1 3252057 ZXZMLXABYKTVKF-UHFFFAOYSA-N 380.787 3.308 30 40 GGEB COC(=O)c1ccc(C(=O)OC)c(NC(C)=C2C(=O)c3ccccc3C2=O)c1 2203365 MVJAIHRWWQSXID-UHFFFAOYSA-N 379.368 3.025 30 40 GGEB CCCCCCCn1c(=O)c2c(nc3n2CCCN3c2ccccc2)n(C)c1=O 8435163 ZCRIKZSJIYJDHA-UHFFFAOYSA-N 395.507 3.409 30 40 GGEB Cn1cccc1C(=O)N1CCCC[C@@H]1CCOC(=O)c1ccc(CC#N)cc1 89756715 KEAQOELJTYCPQC-LJQANCHMSA-N 379.460 3.333 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1Cl 32634718 AWKUXAYIZMUFIG-DRYFDLRVSA-N 393.317 3.005 30 40 GGEB C=CCN1C(=O)/C(=C\c2cc3ccccc3nc2N2CCOCC2)SC1=S 12946276 PNMCSLKZUALUTL-GHRIWEEISA-N 397.525 3.459 30 40 GGEB C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1C1CCCCC1 2649494 QMAJLRKTXPGNSE-UHFFFAOYSA-N 382.493 3.367 30 40 GGEB COc1ccccc1CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@@H]4[C@H]12 4084749 DNRINTCEPXFLKL-BLMQVHPNSA-N 399.531 3.353 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)[C@H]1c1cccs1 102748838 RCCQTYXDHIAYJU-SELCWUDQSA-N 395.484 3.213 30 40 GGEB CCOc1cc(C#N)cc(Br)c1OC(=O)Cc1c(C)noc1C 24072575 KZUJYLBBRODDOB-UHFFFAOYSA-N 379.210 3.472 30 40 GGEB C=CCN(C(=O)/C=C/c1cn(CC)nc1C)c1nc(C)c(C(=O)OCC)s1 36612517 VYLVXOQFOMOVGS-MDZDMXLPSA-N 388.493 3.385 30 40 GGEB CN(Cc1cccc(C#N)c1)C(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 25101559 KJBBBKRMDWDMHV-UHFFFAOYSA-N 379.435 3.208 30 40 GGEB COc1ccc([C@@H](C)NC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1F 45850206 XSCUILQVYYMQDU-CQSZACIVSA-N 382.439 3.195 30 40 GGEB CC(=O)c1cc(C#N)c(SCC(=O)NCCCN(C)c2ccccc2)nc1C 24834563 PBJMUURPTWWHRJ-UHFFFAOYSA-N 396.516 3.199 30 40 GGEB C=CCNc1nnc(SCC(=O)Nc2ccccc2SCC#N)s1 5784790 RRRMRCGYYOVIOK-UHFFFAOYSA-N 377.520 3.482 30 40 GGEB CSc1ccccc1/N=C\[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408752304 DBPGIOLDBHLXJQ-GNKPEBMXSA-N 383.498 3.483 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 32505741 XXZOEMOQMGNHMU-BSMWSGRKSA-N 394.562 3.341 30 40 GGEB COc1cc(/C=C2/C(=O)ON=C2C)ccc1OS(=O)(=O)c1ccc(C)cc1 408943446 SGSCXPHKJQOJDW-MHWRWJLKSA-N 387.413 3.087 30 40 GGEB CC(C)(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2ccccc2C#N)C1 1889281966 AYMPPRBMPGHEDE-UHFFFAOYSA-N 394.500 3.451 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1ccccc1N1CCCC1 52398511 FFVWQFVKMXVCGF-UHFFFAOYSA-N 392.503 3.055 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccccc2C(=O)NC2CC2)n1 10267271 TUMMGXQCBYWFOF-UHFFFAOYSA-N 380.473 3.193 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc([N+](=O)[O-])c1 2276699 CSKWEEXHBKWIOP-HNNXBMFYSA-N 386.404 3.085 30 40 GGEB Nc1nc2n(n1)[C@@H](c1ccnc3ccccc13)C1=C(C[C@H](c3ccco3)CC1=O)N2 18200643 RZLKXUXEVZIJJP-YUNKPMOVSA-N 398.426 3.417 30 40 GGEB CNC(=O)N(O)[C@H]1N(/N=C/c2ccc(SC)cc2)C(=S)SC1(C)C 4795072 ICPPDMHGHUJJGK-UDPFGDFPSA-N 384.552 3.211 30 40 GGEB COc1ccc(C(=O)N[C@@H](CCSC)C(=O)Nc2ccc(C#N)cc2)cc1 8326972 NCPSGOFNQZXKQG-SFHVURJKSA-N 383.473 3.057 30 40 GGEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OC)c(C)c1 224650684 SKKBOJMPBXSEJA-UHFFFAOYSA-N 375.446 3.156 30 40 GGEB N#C[C@]1(C=O)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 252516441 SNTUKNOLCVFLLZ-ZACQAIPSSA-N 390.258 3.098 30 40 GGEB CCC(NOC/C=C/Cl)=C1C(=O)CC(C[C@H](C)[S@](=O)CC)CC1=O 196068411 WALVSPYBSLAJMH-BSSAEPSASA-N 375.918 3.020 30 40 GGEB in-vitro COC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 4572988 MLHVQYMXHAOBFI-BLRPHQBRSA-N 397.456 3.063 30 40 GGEB N#Cc1c(NC(=O)CS(=O)(=O)c2ccc(F)cc2)sc2c1CCCCC2 4496414 QQXVJSDULNDXEN-UHFFFAOYSA-N 392.477 3.440 30 40 GGEB COc1ccc(-c2cc3n(c(=N)c2C#N)CCc2cc4c(cc2-3)OCO4)cc1O 101140850 UOSSSJBFJUHSDY-UHFFFAOYSA-N 387.395 3.172 30 40 GGEB biogenic N#Cc1c(NC(=O)CSc2nncn2-c2ccccn2)sc2c1CCCC2 4127001 HSUBHPNZBIPOJH-UHFFFAOYSA-N 396.501 3.205 30 40 GGEB COc1ccc(NC(=O)[C@H](C)N2CCCN(c3ccccc3C#N)CC2)cc1 52801196 HKXAKHOQMMVSCX-KRWDZBQOSA-N 378.476 3.106 30 40 GGEB CC(C)=C1Oc2c(ccc(O)c2CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1=O 41584751 DTCXQLQILFRBER-CABCVRRESA-N 392.455 3.042 30 40 GGEB biogenic CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302503 WOKHJGHJZFGSLS-SMXHQDLGSA-N 380.535 3.067 30 40 GGEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2)N(C)C(=O)N1C 12699491 ONVJMXXUIPSCDC-SFHVURJKSA-N 378.428 3.425 30 40 GGEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3cc(Br)ccc23)CC1 20721702 YEJRUPNKHSVCLE-KRWDZBQOSA-N 392.297 3.250 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 5246399 AEAODYJICOXTLQ-BPNFLLTHSA-N 394.562 3.287 30 40 GGEB COc1ccc(-n2c(=O)c3ccccc3n3c(SCCC#N)nnc23)cc1 4402560 BARMGBUSRHYDES-UHFFFAOYSA-N 377.429 3.048 30 40 GGEB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 4629614 CFYQHNQNEDNGFQ-IBGZPJMESA-N 380.444 3.475 30 40 GGEB CCc1nnc(S)n1/N=C/c1cn(-c2ccccc2)nc1-c1cccnc1 6684846 JDYXVHWFJLMSCI-CIAFOILYSA-N 375.461 3.259 30 40 GGEB N#Cc1cccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)c1 7073410 LPTOWBLXBOZIDM-UHFFFAOYSA-N 391.500 3.327 30 40 GGEB CC(C)[C@H](NS(=O)(=O)c1ccc(C#N)cc1)c1ccc2c(c1)OCCCO2 15520219 FZDWMDIKWKLEMG-FQEVSTJZSA-N 386.473 3.395 30 40 GGEB CCc1ccc(/C=C2/CS(=O)(=O)c3c(F)cccc3C2=O)cc1[N+](=O)[O-] 96925160 OLOWHAGEOAVXCC-JYRVWZFOSA-N 375.377 3.350 30 40 GGEB CCN(CC)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 408740035 HYJBALPNRIPMBC-OVBDPADQSA-N 394.500 3.299 30 40 GGEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225075671 LHEQHZFAYKNQRU-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB COc1cccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)c1 4028256 JRQDNYRAOVPLFL-DBZAVIBRSA-N 384.432 3.230 30 40 GGEB CC/N=C1/S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC 5705702 MQNDRSWZOKKFBT-OPGVCCBYSA-N 384.299 3.118 30 40 GGEB CC/N=C1/S[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1CC 100865669 NSTJVSITILKBOT-NXHAUGRDSA-N 390.534 3.167 30 40 GGEB C#Cc1cccc(NC(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)c1 40153446 BNILPOUIPBGSSH-SNVBAGLBSA-N 377.263 3.249 30 40 GGEB COc1ccc(CN2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1OC 791336 XISHBISGQXIUFZ-UHFFFAOYSA-N 381.457 3.026 30 40 GGEB CCOC(=O)[C@@]1(C)/C(=N\Nc2cccc(Cl)c2)C(=O)C(=O)N1c1ccccc1 12412362 QPHUIARYXQDTIZ-AKWGVZKHSA-N 399.834 3.046 30 40 GGEB O/N=C1/CC[C@H]2C[C@]3(Cc4ccccc4)C[C@H]1[C@]2(N1CCOCC1)C/C3=N/O 104183814 QNEAMANBFQKGEZ-CGEPVBOKSA-N 383.492 3.171 30 40 GGEB Cc1cccn2c(=O)c(/C=N/c3ccc4c(c3)OCO4)c(N3CCCC3)nc12 944856 SEBVYWRMVJPNGW-WSDLNYQXSA-N 376.416 3.082 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1cc(Cl)ccc1N1CCOCC1 12526811 OKQASZIYUBMMKR-CQSZACIVSA-N 385.851 3.454 30 40 GGEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(Cc2ccc(Cl)cc2)c1=O 3249971 RWZLXKIAZCXLHX-UHFFFAOYSA-N 382.778 3.497 30 40 GGEB COC(=O)/C(=N\Nc1ccccc1Cl)Sc1nnnn1-c1ccccc1 13647961 HPCNLPXOYNDRID-XMHGGMMESA-N 388.840 3.006 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccco2)cc1OC 18218035 LNHZWBGOBBBYFG-ZUOKHONESA-N 392.415 3.304 30 40 GGEB COC(=O)C(C(=O)CSc1nc2ccccc2o1)=C1Nc2ccccc2N1 5628673 HUPDGXMGZCQYMY-UHFFFAOYSA-N 381.413 3.411 30 40 GGEB CC1=NOC(=O)/C1=C\c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 409092067 SRJHBRBWMFBDQR-GDNBJRDFSA-N 377.805 3.424 30 40 GGEB COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218117588 NJQGPLXKYRZMEI-CEXWTWQISA-N 391.876 3.445 30 40 GGEB Cc1ccc(C)c(-n2ccnc2SCc2cc(O)n3ncc(C#N)c3n2)c1 40114282 CLXDPUCGHYQZIN-UHFFFAOYSA-N 376.445 3.401 30 40 GGEB Cc1cccc(-n2ccnc2SCc2cc(O)n3ncc(C#N)c3n2)c1C 48325021 JSGKFGKQCCPYPP-UHFFFAOYSA-N 376.445 3.401 30 40 GGEB C#C[C@]1(OC(C)=O)CC[C@@H]2[C@@H]3CCc4cc(OC(C)=O)ccc4[C@@H]3[C@H](O)C[C@@]21C 245377389 KOKWAOHITJLJCF-ZUYVPRDGSA-N 396.483 3.374 30 40 GGEB biogenic,in-vitro N#Cc1ccccc1NC(=O)C(=O)NCc1ccc([C@H](O)c2cccs2)s1 90750145 HTFQVUVNOZSHFC-QGZVFWFLSA-N 397.481 3.018 30 40 GGEB COC(=O)[C@H](C)Oc1ccc2c(c1C)O/C(=C\c1ccc3c(c1)OCO3)C2=O 6074111 SZBRSWJWWLVMBI-PGQWVYTBSA-N 382.368 3.280 30 40 GGEB biogenic CC(C)c1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1 104220385 ZXOCXPMWSQOPNQ-LFVOPCPISA-N 382.460 3.386 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)c1 20131610 NKDFJENFYVQRNQ-FQEVSTJZSA-N 394.471 3.225 30 40 GGEB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 100640855 NBBYVFLGUROWEE-HXUWFJFHSA-N 398.478 3.289 30 40 GGEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc2c1=O 8686358 AGZFNWUDPUJHLU-UHFFFAOYSA-N 376.441 3.111 30 40 GGEB O=C1N/C(=N\N=C\c2c(-c3ccccc3)[nH]c3ccccc23)S[C@@H]1CCO 27642336 POPGYYIMLJOIBQ-KKJJZKEWSA-N 378.457 3.139 30 40 GGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccco2)c2cc(Br)ccc21 2493110 KWGRTYBNLJVQDY-KRWDZBQOSA-N 376.206 3.035 30 40 GGEB CN(C)/C=C(\C(=O)c1cc(F)cc(F)c1)c1nnnn1-c1ccc(Cl)cc1 5341969 ADMPNYWYJQDPSS-MHWRWJLKSA-N 389.793 3.379 30 40 GGEB C[C@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NC1(C#N)CCCCC1 7505821 RJNCWLOWCUCSGX-NSHDSACASA-N 379.800 3.136 30 40 GGEB CCOC(=O)COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1 409036687 LJCKSPQNGIULKY-HOEBFWFUSA-N 390.255 3.342 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 32634181 AGQNNWBIJPGTAK-GGNAOWBESA-N 386.926 3.132 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32508306 GTRPEIYCQGMFAG-UOOAFGRTSA-N 394.562 3.341 30 40 GGEB Cc1nc2nc(SCC(=O)N(CCC#N)c3ccccc3)nn2c(C)c1C 40119235 YFZVHCPLUQPYBP-UHFFFAOYSA-N 380.477 3.089 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccc(OCC)cc1 224587564 BGEQUEZXGYPMCQ-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 14608169 ROQUDWKJTROYMN-KPZWWZAWSA-N 377.360 3.195 30 40 GGEB CCOCN1C2=C(C(=O)Nc3ccccc3F)C(=O)CCN2c2ccc(F)cc21 2003613 VQOQDABVGWLROX-UHFFFAOYSA-N 399.397 3.408 30 40 GGEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 3893177 GABRFRZVNHDYMU-IRXDYDNUSA-N 376.522 3.167 30 40 GGEB CCN/C(=N\c1ccccc1)S[C@@H]1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O 6708758 YUBGAOXCNWKCOC-MRXNPFEDSA-N 397.456 3.047 30 40 GGEB CC[C@H](C)c1ccccc1NC(=O)CN(c1cccc(C#N)c1)S(C)(=O)=O 24971540 CHXNDGKZYKYRBF-HNNXBMFYSA-N 385.489 3.476 30 40 GGEB Cc1cccc(Nc2nc3nonc3nc2N/N=C/c2cccc([N+](=O)[O-])c2)c1 59488842 WMNUENAJVYOAGC-VXLYETTFSA-N 390.363 3.419 30 40 GGEB CCCc1ccc(C#N)c(S[C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)n1 100587656 SUGAQCQEHDWPMD-QGZVFWFLSA-N 381.457 3.339 30 40 GGEB C[C@@H](Sc1nnc(-c2cccs2)n1N)C(=O)N(CCC#N)c1ccccc1 4537030 ISUXUDXLIFHUDL-CYBMUJFWSA-N 398.517 3.148 30 40 GGEB C=CCOc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 409002950 XMFZXALNACTHDX-UHFFFAOYSA-N 393.443 3.093 30 40 GGEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218546963 FRORVPDHKOKWRN-YQQAZPJKSA-N 379.796 3.013 30 40 GGEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218496931 SXPRGNDNAPWAEL-LMMKCTJWSA-N 389.860 3.437 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225090721 LQIUFUDZQUDXBR-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1Cc1ccc(F)cc1 225872236 WEUCHGWOQVNUQJ-UHFFFAOYSA-N 389.478 3.452 30 40 GGEB CCN(CC)[C@@H]1CCN(c2cc(C)nc(N3CC[C@@H](N(CC)CC)C3)c2C#N)C1 596143320 SIKIMVNDFLZDJI-WOJBJXKFSA-N 398.599 3.103 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C\CC(O)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 5854366 XZQOIJPSUCREFO-LMXLVEHLSA-N 390.196 3.147 30 40 GGEB O=C1/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(C(F)(F)F)=NN1c1ccccc1 6344849 WCNMVAHUCIBRDJ-BKUYFWCQSA-N 377.282 3.328 30 40 GGEB COC(=O)c1c(NC(=O)c2ccc(C#N)cc2)sc2c1CCN(C(C)C)C2 4223509 HGZMDDUQZVATEZ-UHFFFAOYSA-N 383.473 3.425 30 40 GGEB O=C(Cn1c[n+](CC(=O)c2ccc(Cl)cc2Cl)cn1)c1ccccc1 1775020 OQDYAXFQESCNIR-UHFFFAOYSA-N 375.235 3.243 30 40 GGEB COc1cccc(/C=N/Nc2[nH]c(=O)nnc2C)c1OCc1ccccc1Cl 11340512 HAEFCXHRSPQXPD-UFFVCSGVSA-N 399.838 3.160 30 40 GGEB C=CCc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(OCC)c1OCC 409321806 UWVNAWPSVYKDIS-HJWRWDBZSA-N 387.392 3.492 30 40 GGEB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 13129660 HLSBTOTUFNNZKJ-IYBDPMFKSA-N 397.500 3.477 30 40 GGEB N#Cc1ccsc1NC(=O)COC(=O)CCC(=O)c1ccc(Cl)s1 5246477 PAOSTETVKNMUQJ-UHFFFAOYSA-N 382.850 3.479 30 40 GGEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccsc2c1=O 8935506 IOEYJFMUMOQDQZ-UHFFFAOYSA-N 382.470 3.173 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccnc1 5408677 NOKCCBRUNPESDG-SELCWUDQSA-N 399.878 3.108 30 40 GGEB C=CCc1cc(C(=O)OCc2cc(=O)n3cc(C)ccc3n2)cc(OC)c1OC 16171320 UZDKPFFSLSFTLN-UHFFFAOYSA-N 394.427 3.106 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC(C)=O)c(OC)c1 19799702 DRRWQWXLYUIXDC-FQEVSTJZSA-N 399.443 3.152 30 40 GGEB Cc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cc(Cl)ccc2C#N)C1=O 408529918 DKLTVKPJRDDACV-AWEZNQCLSA-N 380.791 3.122 30 40 GGEB CC(=O)c1ccc(N2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)cc1 36212014 VRVPRMFOMKRWJJ-UHFFFAOYSA-N 396.516 3.200 30 40 GGEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507968 OOTWNSREWGCKNL-GQCRWUHZSA-N 394.562 3.458 30 40 GGEB COC(CN1C(=O)C(=O)/C(=C(/C)Nc2ccccc2)[C@H]1c1ccccc1)OC 100248917 MUFWMRTZIIHZJU-RMWKRFJVSA-N 380.444 3.144 30 40 GGEB Cc1noc(-c2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccccc3C#N)cc2)n1 22829684 YBKGTLWKEQOEFC-LBPRGKRZSA-N 376.372 3.101 30 40 GGEB Cc1ccc(C(=O)/C=C(\O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 100929028 JYWZCINWFABRQP-UYRXBGFRSA-N 391.427 3.056 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N(C)C[C@@H]1COc2ccccc2O1 48288272 NYHHYXGBRQNGBJ-OAHLLOKOSA-N 377.400 3.162 30 40 GGEB Cc1cc(SCC(=O)NC[C@H]2CCCO2)n2c(nc3ccccc32)c1C#N 4270057 FMKNJKJVFYBAOF-CQSZACIVSA-N 380.473 3.055 30 40 GGEB COc1c(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)nn1-c1ccccc1 8399931 XXZVOWHKPHTZQB-YBFXNURJSA-N 396.363 3.452 30 40 GGEB C=CCN(C(=O)Cn1nc(C(F)F)c2c1CCC2)c1nc(C)c(C(C)=O)s1 36614181 DOIGUABICVZRCG-UHFFFAOYSA-N 394.447 3.496 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(OC)cc1 5045125 MVZXRTKKXRLIPJ-QGZVFWFLSA-N 387.457 3.372 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1 20057862 DYPJVBCHZQSNEJ-IBGZPJMESA-N 398.459 3.127 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@H]12 1108068 RSQVUAMDIQUPDX-VUUXHMSQSA-N 393.442 3.432 30 40 GGEB biogenic Nc1nc2n(n1)[C@H](c1ccnc3ccccc13)C1=C(C[C@H](c3ccco3)CC1=O)N2 18200642 RZLKXUXEVZIJJP-FKIZINRSSA-N 398.426 3.417 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccsc2c1=O 14019092 XMEUXFMEVOKBPY-SGTLLEGYSA-N 390.534 3.179 30 40 GGEB COc1ccc([C@@H]2CCCN2C[C@@H](O)COc2ccc(C#N)cc2)c(OC)c1 14200954 UMXZHSKIJGXQOE-UTKZUKDTSA-N 382.460 3.152 30 40 GGEB Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1Cl 6809427 HWRWFHAGOGVZMD-UHFFFAOYSA-N 376.803 3.141 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCCC3)cc2)SC1=S 408577884 VJOOLDUQVGJCJV-VBKFSLOCSA-N 388.514 3.075 30 40 GGEB CCOc1cc(/C=C2/Oc3cc(O)ccc3C2=O)ccc1O[C@H](C)C(=O)N(C)C 96930458 LVQVTLLSYCSERL-AYPRBGQRSA-N 397.427 3.263 30 40 GGEB CCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(F)cc2)n(C)c1=O 96019535 NDIKWOZAAUHDMB-UHFFFAOYSA-N 399.470 3.158 30 40 GGEB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C(=O)c2cccc(C#N)c2)C3)n1 575403408 KCROIJRXWYXKPT-IBGZPJMESA-N 379.485 3.179 30 40 GGEB C=CCNC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(S)nc2c1 3043615 GWDCXYHWPQWDSG-UHFFFAOYSA-N 385.876 3.303 30 40 GGEB COc1ccc(C(=O)/C=C\Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC 100301593 SOQGZNZDHSBZQN-SEYXRHQNSA-N 393.443 3.310 30 40 GGEB N#Cc1c2c(c3nncn3c1NCc1ccncc1)CN(Cc1ccccc1)CC2 20677347 FBZWPMVCYWFZFN-UHFFFAOYSA-N 395.470 3.166 30 40 GGEB CC(=O)N[C@@H](CC(=O)OCc1cn2ccccc2c1C#N)c1ccc(C)cc1 32898903 QPKMMUMNCLSDOI-FQEVSTJZSA-N 375.428 3.430 30 40 GGEB COc1cc(C#N)ccc1OCCCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 79102737 AJLZRJFRLNUGQW-ROUUACIJSA-N 398.459 3.434 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2ccc(O)cc2)no1 102803962 ZCZHWQZCMBRGNC-IBOXJLQUSA-N 382.397 3.376 30 40 GGEB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1ccc(C#N)cc1 7890339 MRGMPSOMBOCFSL-UHFFFAOYSA-N 385.851 3.386 30 40 GGEB C[C@H](C(=O)Nc1sccc1C#N)N1CCC(C(=O)N2CCCCCC2)CC1 9051861 HIUSNBONLAMGDR-OAHLLOKOSA-N 388.537 3.061 30 40 GGEB O=C(O)COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl 59249116 GRUZKTFYXKKXKB-REZTVBANSA-N 394.727 3.066 30 40 GGEB N#Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1 12749692 NCLBEXDPXNYMDI-UHFFFAOYSA-N 376.412 3.065 30 40 GGEB CCCc1cc(=O)[nH]c(SCC(=O)N(CCC#N)c2cccc(Cl)c2)n1 11443611 VCGNQKUFDTYUIY-UHFFFAOYSA-N 390.896 3.415 30 40 GGEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 12858980 LMRHVBXQKJABJP-JAIQZWGSSA-N 396.395 3.428 30 40 GGEB biogenic C=C(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 2583209 JNPHNLUWBHJCHM-SFHVURJKSA-N 381.384 3.009 30 40 GGEB COc1ccc(/C=C2\Oc3c(ccc(OC(=O)N4CCOCC4)c3C)C2=O)cc1 13540502 JAYPMIWWTGMVFJ-UYRXBGFRSA-N 395.411 3.451 30 40 GGEB Cc1ccc(S(=O)(=O)c2nc(/C=N/Nc3ccccc3)oc2N(C)C)cc1 4539711 ZBTWVZPHYYDBSS-DEDYPNTBSA-N 384.461 3.328 30 40 GGEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 5515993 VXIILHSVWHOTKA-IJWOGYJESA-N 393.317 3.005 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2ccc(CC)cc2)S(C)(=O)=O)c1 408623521 ROGWRHGFDRVIDT-UHFFFAOYSA-N 388.489 3.219 30 40 GGEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 408797717 CQEWGZDDKIBNKF-LFIBNONCSA-N 380.787 3.018 30 40 GGEB O=[N+]([O-])c1cc2c(cc1/C=N/N=C(/Nc1ccccn1)c1ccccn1)OCO2 5006150 OKENUYMZJPMREJ-SSDVNMTOSA-N 390.359 3.006 30 40 GGEB C=CCc1cc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)ccc1OC 14397505 XCGRTJCSMWUZRC-UHFFFAOYSA-N 383.400 3.249 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)c1cccc(NC(=O)c2cccs2)c1 6607429 FXNKWEIGJZAHJN-FQEVSTJZSA-N 399.472 3.212 30 40 GGEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccco2)s1 102744887 BBJCDPWZJVKROL-MNWMYKRDSA-N 385.401 3.474 30 40 GGEB COC(=O)c1c(C)[nH]c(C(=O)COc2c(Cl)cc(C#N)cc2OC)c1C 23337819 MLEYYOJTAUZULE-UHFFFAOYSA-N 376.796 3.214 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@H](c2ccccc2F)/C1=C(\O)c1ccc(F)cc1 102930704 UAQHDNPYQJILLG-GROYHEBESA-N 393.349 3.381 30 40 GGEB CC(=O)c1cccc(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 13776832 ZGFGYIHSKKBACT-UHFFFAOYSA-O 378.427 3.369 30 40 GGEB C=CCN(CC(=O)NC1CCCC1)S(=O)(=O)c1ccc(Cl)c(Cl)c1 6561195 XRIKRBMJKIKQEA-UHFFFAOYSA-N 391.320 3.229 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 7059872 IFALKWOPEHOLHI-UHFFFAOYSA-N 395.406 3.088 30 40 GGEB COc1ccc([C@H](C#N)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)cc1 19866114 LAWXUGNCFXSFTO-VXKWHMMOSA-N 376.460 3.151 30 40 GGEB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=N/N=C2NC(=O)CS2)o1 408973980 SLXGGCRGXSINCJ-UBKPWBPPSA-N 394.796 3.070 30 40 GGEB C=CCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccccc2)cc1 224679918 RLGJXFYWVUCYNM-UHFFFAOYSA-N 375.446 3.010 30 40 GGEB Cc1nc(CO[C@H]2CSC3(C2)CN(C(=O)c2cccc(C#N)c2)C3)cs1 575404925 WAIRENXWJAUXBJ-QGZVFWFLSA-N 385.514 3.240 30 40 GGEB C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccccc1OC 26770659 UQQHVQZTJWHGGW-UHFFFAOYSA-N 383.444 3.388 30 40 GGEB CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 100895775 KIQOFEKCWWPQFM-XVZOTVTFSA-N 376.459 3.269 30 40 GGEB CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N 22863410 VXSYOTWMARIFQS-UHFFFAOYSA-N 382.445 3.128 30 40 GGEB N/C(=N\OC(=O)CCCc1nc(-c2ccc(F)cc2)no1)c1ccc(F)cc1 41156109 LXPLQXRPOZYRPP-UHFFFAOYSA-N 386.358 3.201 30 40 GGEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 408748460 ANBGCCAUUUBJLK-NVMNQCDNSA-N 375.182 3.210 30 40 GGEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5484032 RNFNQANVJQBKNL-HVESIFNPSA-N 385.803 3.236 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cc1 9376821 MSFMYWWKLQXJRU-KRWDZBQOSA-N 388.514 3.118 30 40 GGEB O=[N+]([O-])c1[nH]cnc1NN=C1C(Nc2ccccc2)=NN=C1Nc1ccccc1 8694913 MCRKALUPJVOXQZ-UHFFFAOYSA-N 389.379 3.036 30 40 GGEB COc1cc(C#N)ccc1OCc1nnnn1-c1ccc(C(F)(F)F)cc1 48344225 BHDUKSHYCAAWPL-UHFFFAOYSA-N 375.310 3.140 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 17777719 AVHHGEOUXVWJLN-FOIQADDNSA-N 395.455 3.353 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(F)cc1 19882184 FCZVCRIIUFBHNH-IBGZPJMESA-N 397.450 3.141 30 40 GGEB CS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C#Cc2ccccn2)c1 32905232 XHZOBGKDCVYXRI-UHFFFAOYSA-N 376.437 3.137 30 40 GGEB N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccco4)C2)C3)c1 8295035 WRVWIOPNLSRZKN-FUHWJXTLSA-N 385.423 3.239 30 40 GGEB biogenic,in-vitro Cc1oc(NC(=O)CN2CCN(CCSc3ccccc3)CC2)c(C#N)c1C 47273386 YMWWWSQUSCXMOR-UHFFFAOYSA-N 398.532 3.117 30 40 GGEB C=CCn1c(CSc2ccc(C)cc2)nn(CN2CCOCC2)c1=S 28114195 SGYOFONNSRAFSV-UHFFFAOYSA-N 376.551 3.491 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)CCCC(C)C)nc1O 12776199 WMMLYBMEQNJDPO-CYBMUJFWSA-N 393.509 3.259 30 40 GGEB COc1ccc(C/N=C(\Nc2ccccc2)S[C@H]2CC(=O)N(C)C2=O)cc1 13143849 CLBLLAARXLHBNN-KRWDZBQOSA-N 383.473 3.154 30 40 GGEB CCCCn1c(=O)[nH]c(O)c(C(=O)/C=C/c2c(Cl)cccc2Cl)c1=O 17014350 PGSXRJCSWQGDQK-BQYQJAHWSA-N 383.231 3.245 30 40 GGEB COc1ccc(/C=C2/S/C(=N/N=C/c3cccc([N+](=O)[O-])c3)NC2=O)cc1 8473711 IRDLQMZCIKTALE-GAZRNQOFSA-N 382.401 3.197 30 40 GGEB CCN(CC(F)(F)F)C(=O)[C@H]1CCCN(CCOc2ccc(CC#N)cc2)C1 72304917 XFMGYLCNNJKNSQ-KRWDZBQOSA-N 397.441 3.254 30 40 GGEB N#Cc1cc2cc3c(cc2nc1SCC(=O)NCCc1ccccc1)OCO3 35288676 FTELHBWUSFRTRL-UHFFFAOYSA-N 391.452 3.286 30 40 GGEB CCCCCn1c(C#N)cc(N)c1N1CCN(c2ccc3c(c2)OCO3)CC1 225871338 CZANAYJBZKMSEP-UHFFFAOYSA-N 381.480 3.187 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 23220059 KNQMFIOGMSBIBG-KZULUSFZSA-N 399.322 3.307 30 40 GGEB N#Cc1ccccc1-c1ccc(Cn2nnc(-c3ccc(C(N)=O)cc3)n2)cc1 23487419 AWSBIKSAMJHNJO-UHFFFAOYSA-N 380.411 3.026 30 40 GGEB CCOC(=O)CC/C(=N/N=c1\[nH]cnc2ccccc12)c1ccc(OC)cc1 12810373 CYDJCECVQLZZQW-MOHJPFBDSA-N 378.432 3.220 30 40 GGEB C=CCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)OC)cc1 14232037 WAWPGHQPTCEXJE-UHFFFAOYSA-N 392.502 3.399 30 40 GGEB CCOC(=O)C1=C(C)Nc2c(C#N)c(N3CCCC3)nn2[C@@H]1c1ccccc1 7991036 CBQZBOZVINACNH-GOSISDBHSA-N 377.448 3.207 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1cc(Cl)c(N)c(Cl)c1 16490053 VZOSDTBGLXGBPH-UHFFFAOYSA-N 379.247 3.324 30 40 GGEB C#CCOc1ccccc1C=Nn1c(C)nc2ccc(Br)cc2c1=O 409293359 HUOJFAZRUNGSIL-UHFFFAOYSA-N 396.244 3.362 30 40 GGEB O=[N+]([O-])c1cc(/C=N\NC(=S)NCc2ccccc2)ccc1Br 34881912 YCDXLRQFZJUJHS-ZDLGFXPLSA-N 393.266 3.356 30 40 GGEB N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)N2CCCC(F)(F)CC2)[nH]1 599771693 ZQADFCIRZJNTEF-UHFFFAOYSA-N 379.798 3.472 30 40 GGEB C[C@@H]1C=C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]1C(=O)Nc1cccc(C#N)c1 103773261 DEZBWTMTCQZVAI-QAJUQPOASA-N 399.450 3.120 30 40 GGEB COc1ccc(/C=N/N=C2\SCC(=O)N2/N=C/c2ccc(OC)cc2)cc1 100365937 IBMRYFMTGCUBAX-DGHFAGPFSA-N 382.445 3.003 30 40 GGEB N#Cc1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCC2 1786814 PWRISWBJNCSDFG-UHFFFAOYSA-N 396.501 3.205 30 40 GGEB CCNC(=S)N/N=C/c1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 2123635 DQOWALTZJDCNNS-VCHYOVAHSA-N 389.393 3.113 30 40 GGEB C#CCOc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1OCC 3667769 GNKXNENPLAFTQY-LGMDPLHJSA-N 384.501 3.488 30 40 GGEB C=CCN(C(=O)[C@H]1CN(C(C)=O)c2ccccc2O1)c1nc2c(s1)CCCC2 7988160 RBOQZUHIQZLINT-GOSISDBHSA-N 397.500 3.355 30 40 GGEB Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965101 GNTXPJQJOOFMDD-YDZHTSKRSA-N 378.457 3.364 30 40 GGEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(OC)c(OC)c1 224804271 VMNJAGJQMLHXGD-UHFFFAOYSA-N 377.462 3.402 30 40 GGEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C(=O)O)cc1 242677070 SXPRGNDNAPWAEL-ZIFCJYIRSA-N 389.860 3.437 30 40 GGEB COc1cccc2[nH]c3c(=O)n(/N=C/c4ccc(C(C)C)cc4)c(=O)[nH]c3c12 5163987 KNTUAASPTGNUBF-SSDVNMTOSA-N 376.416 3.185 30 40 GGEB C#CCOc1cccc(CN2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)c1 12667730 UGJZOXLPQUEIHH-GOSISDBHSA-N 375.476 3.012 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2cccs2)cc1 102878659 AUMSWUMVHQBOFD-FCQICNGXSA-N 399.468 3.357 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN(CCO)Cc3ccccc3)C(=O)O[C@@H]1C2 4028006 VTCCECULTVEOLP-FWDUKEBRSA-N 399.531 3.008 30 40 GGEB biogenic CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@@H]2c1ccc(OC(F)(F)F)cc1 18200684 VUIBGFAPSPXSIM-CQSZACIVSA-N 393.369 3.417 30 40 GGEB Cn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccc(F)cc1 6581966 CZWLDDHYKAAJEZ-UHFFFAOYSA-N 381.436 3.270 30 40 GGEB O=[N+]([O-])c1cccc(/C=N/n2c(S)nnc2-c2cc(-c3ccccc3)n[nH]2)c1 9357232 SWYHUQFEKVSFHK-YBFXNURJSA-N 391.416 3.414 30 40 GGEB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(C#N)cc4F)cc3)nn12 4776882 DWZFJWLYHOGBKY-UHFFFAOYSA-N 378.392 3.424 30 40 GGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2)c(F)c1 409201779 OBBSJGPBDVIACZ-UHFFFAOYSA-N 377.169 3.255 30 40 GGEB C=CCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)N2CCOCC2)cc1 19897848 NCJAPEYENDXHEV-QFIPXVFZSA-N 396.487 3.063 30 40 GGEB COc1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408743340 ZZGBUPZSLUOOHZ-RNDVCUHJSA-N 387.848 3.115 30 40 GGEB CC1(c2ccccc2)OC(=O)C(=NNc2ccc(Br)cc2)C(=O)O1 5425670 UPCZGGFTWMFPPL-UHFFFAOYSA-N 389.205 3.190 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 102930669 SNOSVSUMMQIRRQ-YDJIHCHBSA-N 395.455 3.462 30 40 GGEB CCOC(=O)[C@@H](C#N)C(c1cc(Cl)cc(Cl)c1O)[C@H](C#N)C(=O)OCC 4714434 FAJBVOHIEOVGDX-RYUDHWBXSA-N 399.230 3.188 30 40 GGEB COc1cc(/C=C/C(=O)Nc2ccc(N3CCCC3=O)cc2)ccc1OCC#N 7640580 IQHVDDJUXDPJTB-VZUCSPMQSA-N 391.427 3.376 30 40 GGEB CCN1CCN(c2ccccc2NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1 8025259 VMEYELKJTSOGKZ-KRWDZBQOSA-N 378.476 3.106 30 40 GGEB COc1cc(/C=N\S(=O)(=O)c2cccs2)cc(Br)c1O 17863191 OJOAFWPAYNAGSH-AUWJEWJLSA-N 376.253 3.033 30 40 GGEB CCOC(=O)c1ccc(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)cc1 13787240 PYKFWZPWCALTJL-UHFFFAOYSA-O 390.463 3.204 30 40 GGEB CC(C)n1nnnc1SCC(=O)Nc1ccccc1S[C@@H](C)CC#N 95953372 VCYKTWRUOFGNKX-LBPRGKRZSA-N 376.511 3.379 30 40 GGEB C/N=C(/NCCc1ccc(C)nc1)NC1CCN(Cc2ccccc2C)CC1 86484238 BJEBNMQPOOLEPH-UHFFFAOYSA-N 379.552 3.071 30 40 GGEB Cc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cc(Cl)ccc3C#N)C2=O)c1 408533142 JLAYIPQCMUFLFS-OAHLLOKOSA-N 380.791 3.122 30 40 GGEB O=C(COc1ccccc1/C=N\Nc1ccc([N+](=O)[O-])cn1)Nc1ccccc1 408913194 UCDBVBPDQZMOJC-UUYOSTAYSA-N 391.387 3.453 30 40 GGEB CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(CC#N)cc3)c2)CC1 219996478 IIIHDXWVIRPLJT-UHFFFAOYSA-N 397.500 3.426 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc(F)c2)S(C)(=O)=O)c1 220479108 VJDJACAMIOSJQK-CQSZACIVSA-N 392.452 3.184 30 40 GGEB Cc1c(C(=O)Nc2ccc(C#N)c(Br)c2)cnn1-c1ccccn1 589010598 NVNKRRZQDFIPSY-UHFFFAOYSA-N 382.221 3.462 30 40 GGEB CNC(=O)COc1ccc(/C=C2/COc3c(C)cc(C)cc3C2=O)cc1OC 63412047 FAVNIGVBHGHXIJ-SXGWCWSVSA-N 381.428 3.096 30 40 GGEB COc1ccc(N2CCN(C(=O)CSCc3ccccc3C#N)CC2)cc1 5637619 HKONVBVBCJVMRF-UHFFFAOYSA-N 381.501 3.149 30 40 GGEB COc1ccc(CCN2C(=O)C[C@@H](C(=O)O)S/C2=N\c2ccccc2)cc1 4535750 RGSCMAAMEUTKPR-UNEBPCJRSA-N 384.457 3.344 30 40 GGEB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 40066974 UUUWCJAAUCZLKF-QGZVFWFLSA-N 399.516 3.030 30 40 GGEB CCCCCCCOc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1C 101113426 XNMACRNGKXSOOK-UHFFFAOYSA-N 396.553 3.230 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@@H]2c2ccc(O)cc2)no1 102803966 ZCZHWQZCMBRGNC-UYTDBDHRSA-N 382.397 3.376 30 40 GGEB O=CC[C@H](O)[C@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 4769181 MFDVHNZBVJVEJX-XZOQPEGZSA-N 376.452 3.306 30 40 GGEB C=CCOc1ccc(C(=O)NCc2ccc(-n3ccnc3C)nc2)cc1OC 54625775 JCDUSDICBFHBJC-UHFFFAOYSA-N 378.432 3.079 30 40 GGEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(F)cc1)C1CCCCC1 102061449 ROYVTCJARCSFKX-VFAFWLKOSA-N 396.509 3.007 30 40 GGEB Cc1nn(Cc2ccccc2)c(C)c1CNS(=O)(=O)Cc1ccc(C#N)cc1 12974879 KNJLVTYOMJMAHB-UHFFFAOYSA-N 394.500 3.040 30 40 GGEB CN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccccc2)c2cc(Br)ccc21 4554982 COTKAJPNMKURPV-QRBZPYHOSA-N 386.245 3.286 30 40 GGEB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CSCC3=O)c2C#N)C1 70733938 VUAJWVSDXUZIBT-NSHDSACASA-N 377.535 3.242 30 40 GGEB CCOc1ccc2nc(NCCNC(=O)c3ccccc3OC)c(C#N)cc2c1 35311791 QTGOPWRQMZSDIE-UHFFFAOYSA-N 390.443 3.356 30 40 GGEB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)S2)cc1 34145304 LEDGGJKFFQWRLX-BOPFTXTBSA-N 378.457 3.077 30 40 GGEB COC(=O)COc1ccc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1 5007642 HIOCJJAPBFRSHV-YBEGLDIGSA-N 386.404 3.269 30 40 GGEB C=CCOc1ccc(C(=O)N2[C@H]3CC[C@@H]2CC(O)(c2cccnc2OC)C3)cc1 12117944 XDVTXTLWWWSEKX-NHJWOMDBSA-N 394.471 3.310 30 40 GGEB O=C1C[C@H](c2ccco2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 14608172 ROQUDWKJTROYMN-XIKOKIGWSA-N 377.360 3.195 30 40 GGEB CC[C@@H]1CCCCN1C[C@H](O)Cn1c2ccccc2n2c(=O)cc(C)c(C#N)c12 2708654 AIYONIJQDRWVHX-MSOLQXFVSA-N 392.503 3.060 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)COc1ccc(Br)cc1 8554493 MAHYHUWBMAWRBT-UHFFFAOYSA-N 389.249 3.382 30 40 GGEB CCc1cccc(CC)c1NC(=O)[C@@H](C)Sc1nc(CC)c(C#N)c(=O)[nH]1 5239030 ZLUBMMRFSQQFOU-GFCCVEGCSA-N 384.505 3.448 30 40 GGEB Cn1c(=O)n(CC(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)c2ccccc21 14105811 JHBJWINTERKHQP-UHFFFAOYSA-N 383.407 3.484 30 40 GGEB COc1cc([C@H]2NC(=NC#N)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408731077 KIWLOJLVWWIYFA-OAQYLSRUSA-N 390.443 3.208 30 40 GGEB CC[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCOCC1 9483273 SLRDLNYTTSQVFI-GOSISDBHSA-N 397.519 3.199 30 40 GGEB C=CCN1CCN([C@H](c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1 20121631 VEVCYVAGZYUHHN-HXUWFJFHSA-N 384.503 3.210 30 40 GGEB N#CCOc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409407433 UBHBAYUCHOOWOC-LWWSYDQCSA-N 390.226 3.037 30 40 GGEB COc1ccccc1-c1nc(C#N)c(N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)o1 32124385 VGZJUALQPYCMLS-CABCVRRESA-N 388.427 3.007 30 40 GGEB biogenic CCn1c(=C(C#N)C#N)s/c(=C/c2ccc(-c3ccccc3Cl)s2)c1=O 32906722 RZLQKPTXDCVJPL-RQZCQDPDSA-N 397.912 3.338 30 40 GGEB C=CC[C@](CC(=O)O)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 71606103 IQLWGFSOSYCVLE-JOCHJYFZSA-N 395.411 3.399 30 40 GGEB CCOC[C@]1(C#N)[C@@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514098 BELIIZMYMRWROS-PWRODBHTSA-N 399.468 3.210 30 40 GGEB CCSc1nc2n(n1)[C@@H](c1ccc(O)c(OC)c1)C1=C(C[C@@H](C)CC1=O)N2 14165123 LWYLDPIIWMNDGL-QGHHPUGFSA-N 386.477 3.372 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/NS(=O)(=O)c1ccc(C)cc1 15229894 PFRCFUBGLCTZAM-PXLXIMEGSA-N 378.453 3.473 30 40 GGEB C=CCn1cnnc1SCC(=O)Nc1cc(C2CC2)nn1-c1ccccc1 23006956 OSQNLHADJNGRGL-UHFFFAOYSA-N 380.477 3.258 30 40 GGEB COc1ccc(CN/N=C/c2ccccc2I)cc1OC 20195954 PVMVDMZTPKMUQF-YBFXNURJSA-N 396.228 3.432 30 40 GGEB C[C@H](Sc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C#N)C(N)=O 12700300 AJRSDMZZBJSSMP-JTQLQIEISA-N 381.486 3.292 30 40 GGEB C=CCN(CC=C)C(=O)COC(=O)c1ccccc1NC(=O)c1ccccc1 3408442 CUFRRNADMHVTRD-UHFFFAOYSA-N 378.428 3.296 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2n[nH]c3ccccc23)c1 5827067 WXDZGHJVPDLOAB-UHFFFAOYSA-N 376.416 3.283 30 40 GGEB CCCCn1c(SCC(=O)N(CCC#N)c2ccc(C)c(C)c2)n[nH]c1=O 29423840 QHAJBKCXYSUDBA-UHFFFAOYSA-N 387.509 3.027 30 40 GGEB CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)=O 8461787 JERBYRFDCUOKGF-VCHYOVAHSA-N 388.336 3.273 30 40 GGEB C[C@H](Oc1ccc[nH]/c1=N\S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 84660462 DHMPMMKZDRMETD-HNNXBMFYSA-N 379.441 3.316 30 40 GGEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@@H]1CCc2nnc(C)n2C1 89589084 UUTOAMCPYNGPPZ-MRXNPFEDSA-N 388.431 3.155 30 40 GGEB COc1cc(Br)c(S(=O)(=O)N[C@](C)(C#N)C(C)C)cc1Cl 89791181 BKCUHBSLTXSINI-CYBMUJFWSA-N 395.706 3.328 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)NC1=S 408902636 PBGWSJOJXUFKDJ-QGOAFFKASA-N 392.480 3.387 30 40 GGEB Cn1c2ccc(Br)cc2c2nnc(N/N=C\c3ccc(O)cc3)nc21 31857601 UAXSLOYVUIRGLD-OCKHKDLRSA-N 397.236 3.431 30 40 GGEB CCOC(=O)c1c(C)nc2c(C#N)c(N)[nH]c(=O)c2c1-c1ccc(Cl)cc1 5399008 OWDBGMYLBVDBND-UHFFFAOYSA-N 382.807 3.183 30 40 GGEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CCC#N)c2ccc(F)cc2)c1C 2646988 IAEPIDZAUOEBJY-UHFFFAOYSA-N 385.395 3.077 30 40 GGEB COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccccc2C)c(OC)c1 100902494 ODBIMHXYBOBFRN-KYPJYIKXSA-N 383.473 3.478 30 40 GGEB COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2Cl)N2NN=NC2=N1 1104778 RGSLDDWOZSOEGO-MRXNPFEDSA-N 395.806 3.248 30 40 GGEB CCc1nc(SCC(=O)c2ccc(Br)cc2)nc(O)c1C#N 1016895 ZAOWATBPKTUIOJ-UHFFFAOYSA-N 378.251 3.354 30 40 GGEB C=CCNC(=O)[C@@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 7196466 KKPFAAKFYZOENP-CQSZACIVSA-N 383.404 3.054 30 40 GGEB O=[N+]([O-])c1cc(Br)c(O)c(/C=N\NC(=S)Nc2ccccc2)c1 409105360 IRNAFAVRRJLREM-PXNMLYILSA-N 395.238 3.383 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 32777665 GZAUJEASMWQTTP-UHFFFAOYSA-N 384.342 3.047 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2cc(OC)c(OC)c(OC)c2)c1C 3537787 NWLGHCVAPBIRFA-UHFFFAOYSA-N 387.432 3.356 30 40 GGEB COc1ccccc1[C@H]1/C(=C(\O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1 102721375 IPAIFWLWBNFNBA-HVESIFNPSA-N 380.356 3.211 30 40 GGEB O=C(O/N=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Cl 12959092 STFJWRJQXBOAKC-NDENLUEZSA-N 389.795 3.276 30 40 GGEB Cc1cn2c(/C=C/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c(C)nc2s1 9156627 MFUKGQIOYHNKKA-MDZDMXLPSA-N 389.502 3.159 30 40 GGEB CC(C)Oc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1 6781946 KSHAMKDPNMZXEY-WOOAAIBNSA-N 398.459 3.050 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccncc1 6908477 ZRKVRRXNVPEZKI-HNNXBMFYSA-N 379.489 3.496 30 40 GGEB CCn1c(N/N=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)nc2ccccc21 408692110 DPUYZUAFVXHSKR-STZFKDTASA-N 394.435 3.247 30 40 GGEB C=CCN(C(=O)c1ccc(N2C(=O)c3nccnc3C2=O)cc1)c1ccccc1 33703661 VTTCTIGBMNWTGI-UHFFFAOYSA-N 384.395 3.110 30 40 GGEB C=CCc1c(OCC(=O)NCc2cccs2)ccc2ncn(CC=C)c(=O)c12 20735387 XYULESCERPRUAH-UHFFFAOYSA-N 395.484 3.068 30 40 GGEB CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(N)=O)cc2)C(=O)N1C 408916049 UETJTAWRBGQQOA-HPJGCCTDSA-N 395.484 3.347 30 40 GGEB COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1OC(C)C 409408952 ZXXHJSBVZZFJKG-MGBSGCIJSA-N 388.851 3.277 30 40 GGEB C=CCN(c1ccc(C(=O)NCCCc2cccc(C)c2)cc1)S(C)(=O)=O 13613037 VPONFDAKFGFEFO-UHFFFAOYSA-N 386.517 3.310 30 40 GGEB C=CC/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)S1 6503235 DHIJBORMEBPAQL-NSHDSACASA-N 391.802 3.461 30 40 GGEB C=C1c2ccccc2C(=O)N1C/C(O)=N/c1nc(-c2ccccc2OC)n[nH]1 52778869 CTBGGELCIOZKPC-UHFFFAOYSA-N 375.388 3.195 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1cccnc1 102876335 FNMAYXXNSVPMMM-YDJIHCHBSA-N 393.487 3.235 30 40 GGEB CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OC(C)=O 814123 NLHXJCDKEFNXRZ-NRFANRHFSA-N 394.427 3.365 30 40 GGEB COCCN1COc2c(cc3c(c2C)O/C(=C\c2ccccc2OC)C3=O)C1 54333095 HRZNVWXXKUOVGR-ODLFYWEKSA-N 381.428 3.418 30 40 GGEB biogenic C=CCN(C(=O)Cc1nn(C)c(=O)c2ccccc12)c1nc2c(s1)CCCC2 25728373 ZPBFMCLRVGBJAM-UHFFFAOYSA-N 394.500 3.031 30 40 GGEB Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408968435 YUWBDWVHWUPNTC-MTJSOVHGSA-N 398.444 3.400 30 40 GGEB N#Cc1c(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)sc2c1CCCC2 4471750 GIGVWRKFFJCTPF-RVDMUPIBSA-N 392.440 3.077 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)Nc2nnc(C)s2)nnc1-c1ccccc1 4736423 IVIJJMUHYFRZFV-NSHDSACASA-N 386.506 3.410 30 40 GGEB C=CCNC(=O)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409126331 HMJMMKFDJJQVHA-UHFFFAOYSA-N 378.413 3.404 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(F)cc1 218367214 DGFJPNMCYIRXDB-CMKODMSKSA-N 387.432 3.147 30 40 GGEB C=CCn1c(SCc2cc(=O)n3cc(C)ccc3n2)nc2ccccc2c1=O 2623678 DFXYRBCBVTZUFY-UHFFFAOYSA-N 390.468 3.191 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 102736480 LCDJTGCXXOBNBJ-WOOAAIBNSA-N 393.443 3.134 30 40 GGEB COc1cccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1OC 4860450 VQALKOBEXPPZEM-JKMAKKBCSA-N 392.415 3.213 30 40 GGEB C=CCNC(=S)N/N=C/C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1 3191391 FVVFCYBUJHIITJ-WINQIOIRSA-N 382.533 3.086 30 40 GGEB COc1cccc(C[C@H](C#N)c2c(C#N)c(N)nc(N3CCCCC3)c2C#N)c1 25286903 FTKRFSPXIYKMMO-MRXNPFEDSA-N 386.459 3.256 30 40 GGEB O=C1[C@@H](/C(O)=N/O[C@H]2CCCCO2)CCN1c1cccc(Br)c1 58419254 JSEYYBGFGWITSL-KGLIPLIRSA-N 383.242 3.217 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccncc2)c1 6078109 IHWAOOBRYNOOPH-IBGZPJMESA-N 396.443 3.095 30 40 GGEB CCc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 6168699 KAZXPTCNHOKXJV-KPKJPENVSA-N 385.485 3.166 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2n[nH]c3ccccc23)sc2c1CCCC2 6370731 BSDLNRSUYISQCJ-UHFFFAOYSA-N 380.429 3.170 30 40 GGEB N#Cc1ccccc1COC(=O)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 7567314 QFWRUUHUJDWLTE-MRXNPFEDSA-N 387.482 3.194 30 40 GGEB N#CCc1ccc(NC(=O)COc2ccc(I)cc2)cc1 7834123 IBSYUDJUIGXULP-UHFFFAOYSA-N 392.196 3.375 30 40 GGEB C=CCSc1ccccc1C(=O)Nc1nnc(SCC(=O)OC)s1 224507794 UBSVQCQRHZQZSD-UHFFFAOYSA-N 381.504 3.334 30 40 GGEB Cc1cc(/C=N/c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 5894230 VDAURQUSXQYSDN-WSDLNYQXSA-N 397.456 3.190 30 40 GGEB CC/N=C1/S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1CC 18180176 MRWWXWIFMVLVBF-FUYOWACXSA-N 384.299 3.118 30 40 GGEB O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@@H](c2nc(O)n[nH]2)C1 1562462997 HFEXQHNQTKQVNU-GOSISDBHSA-N 387.443 3.322 30 40 GGEB C=CCNc1oc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1C#N 12421214 HYISMOZWHCDRHK-UHFFFAOYSA-N 386.477 3.376 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1ccccc1 102497571 CEWCRKXZBQEFTQ-NHFXJNLRSA-N 386.407 3.409 30 40 GGEB COc1ccccc1[C@@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1C[C@@H]1CCCO1 102862428 YNOVZBYOGBOQBZ-PAJPURNCSA-N 399.468 3.357 30 40 GGEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 102538978 DHIIVUAYLIQJPE-GROYHEBESA-N 385.803 3.236 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 100301602 KFTVOWXKQNSPKK-QFCPZRJBSA-N 376.387 3.473 30 40 GGEB CCCN(CCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)O[C@H](C)COC 2326499 GFNAPRNKVNGSSL-CVEARBPZSA-N 384.480 3.441 30 40 GGEB Nc1nc2n(n1)[C@@H](c1cccc(F)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200621 YHBZDJJXOOEOFL-DIFFPNOSSA-N 381.436 3.477 30 40 GGEB COc1cccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)c1 5576794 NXYVRHWTYLNGSZ-YDJIHCHBSA-N 394.471 3.069 30 40 GGEB C/C(=N\NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(-n2ccnc2)cc1 5656770 GQHFMUKGYFUPSL-FYJGNVAPSA-N 380.433 3.491 30 40 GGEB Cc1cc(C)c2nc(NCCNS(=O)(=O)c3ccc(F)cc3)c(C#N)cc2c1 35312861 NQDAEHOVVPIUGP-UHFFFAOYSA-N 398.463 3.253 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 218454035 FZFDJGGNYQMJBI-CQSZACIVSA-N 392.452 3.184 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC(c2ccc3cccnc3n2)CC1 594475128 RLHDANSULKAVAE-UHFFFAOYSA-N 378.457 3.070 30 40 GGEB C=CCNC(=O)COc1ccccc1-c1noc(-c2ccc(OCC)cc2)n1 33325174 OELWRPNPYHZDSJ-UHFFFAOYSA-N 379.416 3.483 30 40 GGEB CC(=O)/C(C(=O)OC(C)C)=C1/N=C(NC(=O)c2ccc(C)cc2)c2ccccc21 2888412 GDPQUHYSLPDKTR-VXPUYCOJSA-N 390.439 3.437 30 40 GGEB COC(=O)COc1ccccc1/C=C1/SC(=Nc2ccc(F)cc2)NC1=O 408962810 VLBREZKIHOYUCG-MHWRWJLKSA-N 386.404 3.269 30 40 GGEB Cc1cc(I)ccc1NC(=O)COc1ccc(C#N)cc1 5108927 OETXXJDVWVHBGJ-UHFFFAOYSA-N 392.196 3.489 30 40 GGEB C=CCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O 4746030 UVKDRKSCQVFACF-UHFFFAOYSA-N 381.413 3.466 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OCC 408917538 WPEXEJXOVDMSOF-RVDMUPIBSA-N 375.833 3.420 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)cc1O 18197631 IZKIHKBXYDNUHE-BLVKFPJESA-N 394.456 3.470 30 40 GGEB CC(C)(C)/N=C(\O)CN1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 22691376 YRAOWBQCLDYXNU-UHFFFAOYSA-N 398.507 3.173 30 40 GGEB COC(=O)C1=C(C)N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 409021277 ZVTCOIAVPKTFLB-GZTJUZNOSA-N 379.412 3.234 30 40 GGEB C=CCOc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1 222583395 WMJAHPXZUZNGFN-UHFFFAOYSA-N 386.473 3.434 30 40 GGEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225116565 VQWZZHMSHSABKH-UHFFFAOYSA-N 393.436 3.392 30 40 GGEB COc1cccc2cc(C(=O)N3CCC(Oc4ncccc4C#N)CC3)oc12 96102845 BMVRNDPAMYJULW-UHFFFAOYSA-N 377.400 3.392 30 40 GGEB COc1cc(/C(C)=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(OC)c1OC 16137186 AAPPHZVPOLJXST-VCHYOVAHSA-N 390.352 3.365 30 40 GGEB CC(=O)OC1=C(C(C)=O)[C@H](c2ccccc2)N(c2ccc(OC(C)=O)cc2)C1=O 78547159 KZPGKQUQYZGEKL-FQEVSTJZSA-N 393.395 3.106 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@H]2c2ccc(F)cc2)cc1 102873483 ZBGYKPOXXSKRKH-WOOAAIBNSA-N 397.402 3.421 30 40 GGEB CCNC(=S)N/N=C/c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1 6891532 GPEZOBPCIPCVRQ-UFFVCSGVSA-N 391.880 3.435 30 40 GGEB C=CCOc1ccc(-c2nc3s/c(=C\c4cccc(F)c4)c(=O)n3n2)cc1 2703792 LDLGODLMQSOITI-ATVHPVEESA-N 379.416 3.070 30 40 GGEB CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(Br)cc2)cc1 695326 RSFYMZWDGDQZLI-GZTJUZNOSA-N 383.267 3.160 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl 101311955 VXIILHSVWHOTKA-CYVDBUDESA-N 393.317 3.005 30 40 GGEB C=CCn1c(N)cc(=O)nc1S[C@H](C)C(=O)Nc1cccc2ccccc12 798430 IZMUFTKLFCBJMM-CYBMUJFWSA-N 380.473 3.284 30 40 GGEB Cc1cccc(-n2c(C)nnc2SC[C@@H](O)COc2ccc(C#N)cc2)c1 12557883 RCMRSQJMOICNDH-SFHVURJKSA-N 380.473 3.288 30 40 GGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 12783031 KKCYQFNVHGNBPL-GOSISDBHSA-N 395.287 3.221 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)CCCC(C)C)nc1O 12776196 WMMLYBMEQNJDPO-ZDUSSCGKSA-N 393.509 3.259 30 40 GGEB COC(=O)c1ccc(N2CC(=O)C(c3nc(-c4ccccc4)cs3)=C2N)cc1 13690246 IEQKMXZMJLJLPP-UHFFFAOYSA-N 391.452 3.313 30 40 GGEB Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(S(N)(=O)=O)cc1 4675760 NJGKZCFJDLGKAL-SSDVNMTOSA-N 397.456 3.221 30 40 GGEB C=CCSc1nnc(NC(=O)CSc2ccc3c(c2)OCCO3)s1 9114106 SQGHBTXQGGWDGN-UHFFFAOYSA-N 381.504 3.318 30 40 GGEB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OCC(=O)N[C@](C)(C#N)C(C)C 7478459 SMUARHBVGXMJJD-LJQANCHMSA-N 388.855 3.045 30 40 GGEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(O)=NC1=S 34138238 POTJZZGIWJIXSO-RVDMUPIBSA-N 382.401 3.039 30 40 GGEB N#Cc1cnn2c(O)cc(CSc3nnc(Nc4ccccc4F)s3)nc12 40114187 UCWWZAQTJZGLPV-UHFFFAOYSA-N 399.436 3.333 30 40 GGEB C/C(=N\OCC(=O)Nc1ccc2c(c1)OC(F)(F)O2)c1sc(C)nc1C 98054724 KNNPDKDHTPWZOS-ZVBGSRNCSA-N 383.376 3.461 30 40 GGEB Nc1ccc(S(=O)(=O)c2ccc(/N=C3/C(=O)Nc4ccccc43)cc2)cc1 5338540 NFSGNPZUOOTVSO-UHFFFAOYSA-N 377.425 3.175 30 40 GGEB CCCNC(=O)c1ccc2c(=O)n(Cc3ccccc3)c(SCC#N)nc2c1 12415091 UYQLKURYCFUMJP-UHFFFAOYSA-N 392.484 3.200 30 40 GGEB CCc1cccc2c(C(=O)CN3CCN([C@@H](C)/C(O)=N/C4CC4)CC3)c[nH]c12 40024843 YOZCERFXDMTKTN-HNNXBMFYSA-N 382.508 3.038 30 40 GGEB C#Cc1cccc(NS(=O)(=O)c2cc(OC)c(OC)cc2Br)c1 12541915 FHVSUBORAOHCKO-UHFFFAOYSA-N 396.262 3.248 30 40 GGEB C=CCN(CCc1ccccc1)C(=O)NCc1ccccc1Cn1cncn1 58249179 XUMGAEASTCYUIT-UHFFFAOYSA-N 375.476 3.267 30 40 GGEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2381826 VIUDPZBXTYZPHE-MRXNPFEDSA-N 382.464 3.197 30 40 GGEB COc1cc(OC)cc([C@@H](Nc2ccc([N+](=O)[O-])cc2C#N)c2nccn2C)c1 28620247 WBPRASQSCBJOQM-LJQANCHMSA-N 393.403 3.419 30 40 GGEB O=S(=O)(/N=C(\O)c1ccccc1SC[C@@H]1CCCO1)c1cccnc1 48532223 YWGWYOKUXXHMMY-ZDUSSCGKSA-N 378.475 3.046 30 40 GGEB COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1I 408750731 RAKPFIOVPARESA-APSNUPSMSA-N 398.160 3.049 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3C(=O)Nc2ccccc2)cc1 9375033 PTOZSOMXBLKLOY-CRAIPNDOSA-N 390.439 3.171 30 40 GGEB C=CCNC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 225864073 WZILVQXPGFDBJE-UHFFFAOYSA-N 390.892 3.397 30 40 GGEB COC(=O)C[C@H](c1ccc(C#N)cc1)c1c(O)n[nH]c1Cc1ccc(OC)cc1 96117890 SISLZOVRNGBRNC-GOSISDBHSA-N 391.427 3.281 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242463634 DGFJPNMCYIRXDB-QWFCFKBJSA-N 387.432 3.147 30 40 GGEB N#Cc1ccc(N=c2[nH]c(C3CCN(Cc4ccccn4)CC3)cs2)cn1 585294955 LSYNKAWSCCHBDF-UHFFFAOYSA-N 376.489 3.350 30 40 GGEB CCOc1ccc(/C=N/OCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 14314719 JMBJMXUFLPQFPI-NSMHLIOHSA-N 384.432 3.084 30 40 GGEB C/N=C1\S/C(=C/c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N1C 15227059 JSEVTEGAFAFOOU-OUYOUGTCSA-N 383.473 3.413 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 19996921 QVOQZFMRFSUICF-LJQANCHMSA-N 382.435 3.356 30 40 GGEB Cn1ccnc1C[C@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 590285352 RJTHIWAPJGGWMD-INIZCTEOSA-N 399.376 3.419 30 40 GGEB CCOCCn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2cc([N+](=O)[O-])ccc21 100873548 PSTXKSXVSZMUNW-VZCXRCSSSA-N 396.428 3.260 30 40 GGEB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1 100640853 NBBYVFLGUROWEE-FQEVSTJZSA-N 398.478 3.289 30 40 GGEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302508 WOKHJGHJZFGSLS-RGEMVIMISA-N 380.535 3.067 30 40 GGEB COc1ccc(/C=C/C(=O)NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1OC 3171992 DZTKFYBDSYSGKU-CSKARUKUSA-N 397.814 3.363 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1 5184826 OKBWCKMQBKCTHQ-GOSISDBHSA-N 391.383 3.170 30 40 GGEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(OC)cc2OC)C1=O 13939660 RHQOGNCPTVZTLF-QPEQYQDCSA-N 382.235 3.136 30 40 GGEB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1OC 6406847 KNEUCAPHTLMYDR-PLWJUESGSA-N 380.400 3.159 30 40 GGEB N#CCCN(CCN1CCOCC1)c1nc(-c2ccccc2)c2ccccc2n1 84559955 CTTMNXJCUGXADW-UHFFFAOYSA-N 387.487 3.349 30 40 GGEB C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCC(=O)O 409077675 FULLHZMZALCQMI-BOPFTXTBSA-N 393.395 3.232 30 40 GGEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408806521 JMGULLHMHKTHDA-FOWTUZBSSA-N 394.814 3.327 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218104620 BCCYQJWVJNWMJZ-ZJOUEHCJSA-N 399.468 3.016 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@]23C[C@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 260838485 SEHOEPKKISIXLJ-HRAATJIYSA-N 398.484 3.107 30 40 GGEB COC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3)S2)cc1 4572990 MLHVQYMXHAOBFI-HZSHHLKBSA-N 397.456 3.063 30 40 GGEB COc1ccc(C(=O)[C@@H](C#N)c2nnc3n2CCCCC3)cc1Br 40089601 DAGLTZAXXAVUOW-GFCCVEGCSA-N 389.253 3.266 30 40 GGEB C=CCSc1nnc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)s1 8938532 FVFNAMFNQOPWJS-UHFFFAOYSA-N 387.490 3.014 30 40 GGEB COc1cccc(C(=O)O/N=C2/C[C@H](NC(=O)C(F)(F)F)c3ccsc32)c1 33709729 AKWPZSQPRJNJRY-CJVAQADSSA-N 398.362 3.441 30 40 GGEB N#Cc1c(NC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCCCC2 84610023 ANSUESODIKBNEA-AWEZNQCLSA-N 394.500 3.271 30 40 GGEB C=CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccncc1 5471892 XDSYZMXIDSQGGQ-QGZVFWFLSA-N 379.489 3.448 30 40 GGEB N#CCCN(Cc1cccnc1)C(=S)NC(=O)C12CC3CC(CC(C3)C1)C2 5656959 GSAMHSAEZFZZED-UHFFFAOYSA-N 382.533 3.415 30 40 GGEB CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O 4865132 RGOXZVZORMIJHX-AWEZNQCLSA-N 385.445 3.101 30 40 GGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 7814560 VKWXCKMPRWCMNW-FOOFDJGMSA-N 391.471 3.111 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2cccc(F)c2)cc1 19904236 GLYPRRKFJYFDNZ-GOSISDBHSA-N 383.375 3.187 30 40 GGEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)cc1 33807113 HBCBESGIZJPHKH-UEMWTREESA-N 398.440 3.439 30 40 GGEB C[C@@H](C(=O)N1CCC(c2c(Cl)cccc2Cl)CC1)n1cnc(C#N)n1 564126846 DTMPLWAFFVFYBS-NSHDSACASA-N 378.263 3.424 30 40 GGEB N#Cc1cccnc1N1CCC(CNC(=O)c2ccccc2Br)CC1 70929300 TUEOMWSIFXWXLK-UHFFFAOYSA-N 399.292 3.362 30 40 GGEB C=CCn1c(S[C@H]2CCCCNC2=O)nc2sc3c(c2c1=O)CCCC3 11121342 KYDHIBMDVUVMIX-AWEZNQCLSA-N 389.546 3.284 30 40 GGEB CC(C)CNc1oc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc1C#N 12421063 HPDLTYANKWVGKZ-UHFFFAOYSA-N 388.493 3.456 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1775979081 ZHPBSHGCKSKXOY-GOSISDBHSA-N 391.452 3.075 30 40 GGEB COc1ccc(-c2c[n+](CC(=O)c3cccc([N+](=O)[O-])c3)c3n2CCC3)cc1 17206296 CHKFUFJXFQMKKZ-UHFFFAOYSA-N 378.408 3.189 30 40 GGEB N#CCCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)O)ccc1Cl 78705756 QCGZLHHHRDAZJS-UHFFFAOYSA-N 382.800 3.286 30 40 GGEB COc1ccc(C)cc1C(=O)CCC(=O)OCC(=O)Nc1ccccc1C#N 6588944 GFYGVDUFJHWFEX-UHFFFAOYSA-N 380.400 3.020 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 101311958 VXIILHSVWHOTKA-OYPIUGFMSA-N 393.317 3.005 30 40 GGEB CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 12625482 WRBISAJXHGRSOW-HKWRFOASSA-N 375.768 3.462 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N1CCC(c2ccc(O)cc2)CC1 44369587 QHLQFDIUSGUWAB-UHFFFAOYSA-N 380.492 3.458 30 40 GGEB C#CCN(C(=O)NC[C@@H](c1cccs1)N1CCOCC1)C1CCCCC1 62474276 PNBNNXFLXFXOAJ-SFHVURJKSA-N 375.538 3.099 30 40 GGEB Cc1ccc(O[C@@H](C)/C(O)=N/S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 48536714 DULQLPBKFZGAGL-ZDUSSCGKSA-N 378.406 3.157 30 40 GGEB COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@H](C)C[C@@H](C)C1 4936722 WYEZDKBTZQMRAG-WCXIOVBPSA-N 396.491 3.297 30 40 GGEB CN(C)C(=O)COc1ccccc1C(=O)Nc1ccccc1SCCC#N 95944761 PETWHWIGSONIJC-UHFFFAOYSA-N 383.473 3.412 30 40 GGEB N#Cc1ccc(COc2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 408603721 GYAKBZQTJTXFPU-JXMROGBWSA-N 390.355 3.417 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OC 408779253 CKWWTRRHJFERCH-QGOAFFKASA-N 376.412 3.399 30 40 GGEB CC(C)c1ccc2ncc(C#N)c(N3C[C@@H](CO)[C@H](c4cnn(C)c4)C3)c2c1 517278592 LYYZJIRCOPSFDR-ICSRJNTNSA-N 375.476 3.176 30 40 GGEB CC(C)CNC(=O)c1csc(Nc2cccc(C3CCN(CC#N)CC3)n2)n1 585295054 YLKJNAFAKJMCGS-UHFFFAOYSA-N 398.536 3.370 30 40 GGEB Cc1ccc(C(=O)Nc2ccon2)cc1Nc1nc(N)nc(NC(C)C)c1C#N 13674013 VXWYKMMJKQFNRP-UHFFFAOYSA-N 392.423 3.043 30 40 GGEB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)c1 4517864 QUWDBPUQZDMIBE-UHFFFAOYSA-N 383.454 3.338 30 40 GGEB Cc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1 20501907 TTWRMOZBZSSJMO-KRWDZBQOSA-N 399.516 3.208 30 40 GGEB CC(C)[C@@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 32740525 YEUJDFACCVMBJB-HXUWFJFHSA-N 386.473 3.395 30 40 GGEB CC1CCN(C(=O)CSc2nc3cc4c(cc3cc2C#N)OCCO4)CC1 1354948 MQFNAHDULTUURT-UHFFFAOYSA-N 383.473 3.228 30 40 GGEB N#Cc1ccc(COC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1 3373127 JAROQYZMPYLASE-UHFFFAOYSA-N 386.363 3.304 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)c2ccc3c(c2)OCCO3)c1 3459676 DYEGIUZHKUQQIJ-UHFFFAOYSA-N 394.427 3.178 30 40 GGEB C/C(=N\N=C1/NC(=O)[C@H](Cc2cccc(C)c2)S1)c1cccc([N+](=O)[O-])c1 4712962 WTZCZIIOLNIQSW-RSZPVBOMSA-N 382.445 3.458 30 40 GGEB CCOc1ccc2nc(NCCNC(=O)c3cccc(F)c3)c(C#N)cc2c1 35311789 KJMSGGHZSUEAHJ-UHFFFAOYSA-N 378.407 3.486 30 40 GGEB NC(=S)NN=Cc1cc(Br)ccc1OCCOc1ccccc1 13371490 HXYIRNNOFHMNGD-UHFFFAOYSA-N 394.294 3.074 30 40 GGEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 13569694 YGOZFZNWYQVBBT-LPXFMOJISA-N 396.395 3.420 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccc(Cl)c1 102798328 FYYJXVFACDTAFA-IBOXJLQUSA-N 375.808 3.310 30 40 GGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)c(O)c1)n1ncnc1N2 18197604 ODYPFVJSPDUUCM-BBATYDOGSA-N 380.429 3.167 30 40 GGEB C=CCS[C@]1(Br)NC(C)(C)C[C@]2(C)OC(=O)[C@@H](C(C)C)N21 19324871 MLMCNDZVLTUDMQ-BYCMXARLSA-N 377.348 3.283 30 40 GGEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)O 408911576 OAAXYMHZKJUJNV-LSCVHKIXSA-N 379.756 3.166 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1cccc2ccccc12 70636248 RPCXJWZRJZLUGG-IBGZPJMESA-N 393.830 3.153 30 40 GGEB CCc1noc(-c2cc(=O)n(CC(=O)Nc3cccc(C#N)c3)c3ccccc23)n1 49401270 MIHDXXDTVGMQCH-UHFFFAOYSA-N 399.410 3.124 30 40 GGEB C[C@@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@]43C=O)[C@@]13O[C@H]3C[C@H]2c1ccc(=O)oc1 584578896 LFLJTMIVTFTLOA-OXJUBTAESA-N 398.499 3.437 30 40 GGEB Cc1ccccc1/N=C1\SCCN1C(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 12864757 BSTZCPZBKYLTHV-SSTPKXICSA-N 375.519 3.012 30 40 GGEB CC[C@@]1(C)NC(=O)N(/N=C/c2ccc(OCc3ccccc3)c(OC)c2)C1=O 3528207 NJYBPHFZIDOFMC-XWRADEMYSA-N 381.432 3.329 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 100937030 UFTNEYPSVAJLBM-SVQNHAPJSA-N 380.535 3.041 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2cccc(C#N)c2)c1 2653837 QZMRGLBIZLTXHB-UHFFFAOYSA-N 391.880 3.494 30 40 GGEB CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O 4865133 RGOXZVZORMIJHX-CQSZACIVSA-N 385.445 3.101 30 40 GGEB Cc1ccccc1-c1nc(/C(O)=N/S(=O)(=O)C[C@@H]2CCCCO2)cs1 67632677 BOUPHPFJOPELLT-ZDUSSCGKSA-N 380.491 3.322 30 40 GGEB CC[C@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)N1CCCC1=O 84718764 RCFLNZINCDZNDR-GOSISDBHSA-N 378.432 3.394 30 40 GGEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(OC)c(Cl)c1 224957912 RCPDXNAKSHWSRI-UHFFFAOYSA-N 381.837 3.459 30 40 GGEB O=C(/C=C/N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccc(Br)cc1 2110528 GERFSKUJBUUGKO-RIEFBQKVSA-N 399.288 3.427 30 40 GGEB CC1(C)Cc2c(c(N3CCN(C(=O)c4ccco4)CC3)[nH]c(=S)c2C#N)CO1 17123037 WMQDZXISECFVDJ-UHFFFAOYSA-N 398.488 3.023 30 40 GGEB C=CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cc(OC)ccc21 100874985 PDBZEIWPFJXGPS-UNEBPCJRSA-N 382.441 3.165 30 40 GGEB N#Cc1c(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)sc2c1CCCC2 4496277 OAHRPWBQSCLONT-UHFFFAOYSA-N 392.477 3.440 30 40 GGEB C#CCN(Cc1nnc2n(C)c(=O)c3cc(C)ccc3n12)[C@@H]1CCc2ccccc21 52846214 ZMYXUOIQCNSEJZ-HXUWFJFHSA-N 397.482 3.012 30 40 GGEB CCOC(=O)c1c(/N=C/c2ccc(OCC(N)=O)cc2)sc2c1CCCC2 6955666 JONBOEMEWAECBR-SSDVNMTOSA-N 386.473 3.418 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(OC)ccc1F 660062 WEBSGQILGMVCPM-INIZCTEOSA-N 389.423 3.325 30 40 GGEB COc1ccc(O[C@H](C)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 12785340 HKKZKBKKDQLEPC-GOSISDBHSA-N 393.487 3.069 30 40 GGEB C=CCn1c(SCC(=O)Nc2nncs2)nnc1-c1cc2ccccc2o1 4816369 RCZUHRPITWWXAW-UHFFFAOYSA-N 398.473 3.460 30 40 GGEB Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 72307251 ASLVVDNTQJXGRJ-UNMCSNQZSA-N 393.487 3.141 30 40 GGEB C=CCN(CCc1ccco1)Cc1cc(OCC)n2nc(C(F)(F)F)nc2n1 95466196 KIRPWLLOXZDOJX-UHFFFAOYSA-N 395.385 3.366 30 40 GGEB C=CCN(C(=O)c1ccccn1)[C@@H](C(=O)NCc1ccccc1)c1ccncc1 35310811 YEVWIDFYBDFMTO-OAQYLSRUSA-N 386.455 3.163 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NCc1ccc([C@@H](O)c2cccs2)s1 90750146 HTFQVUVNOZSHFC-KRWDZBQOSA-N 397.481 3.018 30 40 GGEB COCc1cc(C)nc(N/N=C/c2ccc(I)o2)c1C#N 5128085 KKFPGCSMUSHXSQ-REZTVBANSA-N 396.188 3.052 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)o1 5869321 NAOUXJUEBLIFEY-DLJQPYPDSA-N 390.395 3.176 30 40 GGEB COc1ccc(-c2csc(C3=C(N)N(Cc4ccco4)CC3=O)n2)cc1OC 13548954 OLYXRFMWNZDJBN-UHFFFAOYSA-N 397.456 3.133 30 40 GGEB N#CCSc1ccccc1NC(=O)CNc1ccccc1N1CCCC1=O 12527014 HSYHBYPPZXSMKT-UHFFFAOYSA-N 380.473 3.480 30 40 GGEB CCNC(=O)[C@H]1CC(=O)N(CC)/C(=N/c2cc(Cl)c(O)c(Cl)c2)S1 17918536 QUHDUMZLWDMDLC-QNPMFDGYSA-N 390.292 3.177 30 40 GGEB C=CCSc1nnc(NC(=O)c2ccc(S(=O)(=O)C(F)F)cc2)s1 3337342 RFGCXJMEQZNQME-UHFFFAOYSA-N 391.446 3.065 30 40 GGEB N#CCCN(C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccc1 3310324 QLVZIOLZELNRFH-VAWYXSNFSA-N 379.372 3.098 30 40 GGEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc1 409235907 CYFQGPSYYINKSP-LZYBPNLTSA-N 381.388 3.372 30 40 GGEB N#Cc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4)CC3)CC2)cc1 4682112 ODEZHCOYHDWPRU-UHFFFAOYSA-N 388.515 3.119 30 40 GGEB CC(C)Oc1ccccc1/C=N/Nc1nc(N2CCCC2)nc(N2CCCC2)n1 408603613 SAQCUBOPFLBBNO-PXLXIMEGSA-N 395.511 3.305 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218341512 OCMVOPBDXUPHRP-AOIWGVFYSA-N 389.860 3.353 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OCC)cc3)C2=O)ccc1O 36076694 MANHGENPWJYTJR-QGOAFFKASA-N 392.411 3.186 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 605444349 OMTLBUYZLMTHPK-UHFFFAOYSA-N 388.493 3.174 30 40 GGEB CCCN(CCC)C(=O)CSc1nc(-c2ccc(C)cc2)c(C#N)c(=O)[nH]1 5238288 WWSZRKRDWUASPI-UHFFFAOYSA-N 384.505 3.358 30 40 GGEB CC/N=C1/S[C@@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1CC 100865664 NSTJVSITILKBOT-AOMYARPXSA-N 390.534 3.167 30 40 GGEB C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3cccc(Cl)c3)no2)c1=O 38652770 ASLDLDJYXXKTTL-UHFFFAOYSA-N 394.818 3.101 30 40 GGEB Cc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)o1 20134153 UZBMRPSSWVHSPL-LJQANCHMSA-N 394.427 3.474 30 40 GGEB C=CC[C@@]12C[C@H](COc3ccccc3C(N)=O)OC1=Nc1ccccc1NC2=O 1609111 PIOIJRVTEYTDQA-PEBXRYMYSA-N 391.427 3.198 30 40 GGEB CCOC(=O)[C@]1(C(N)=O)O[C@@]1(c1ccc(Cl)cc1)c1ccccc1Cl 4921104 CBGRCWIFFWBLAC-ROUUACIJSA-N 380.227 3.054 30 40 GGEB CC(C)OCCCNC(=O)c1ccc(-n2cccn2)c(C#Cc2cccnc2)c1 57760571 FHKHRXBSKFUSRS-UHFFFAOYSA-N 388.471 3.212 30 40 GGEB C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 3884871 BZPCJEIKGXJCIU-UHFFFAOYSA-N 381.837 3.428 30 40 GGEB CCSc1nc2n(n1)[C@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 4436215 JCRNHEAWOVUCJQ-MRXNPFEDSA-N 386.477 3.429 30 40 GGEB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 4518014 JWNCYWMWPCSSMA-UHFFFAOYSA-N 383.454 3.338 30 40 GGEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OCC)c1OC 409357522 JOMBKAABQHTPAB-UHFFFAOYSA-N 379.416 3.120 30 40 GGEB C[C@@H](N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1)C(=O)NC1(C#N)CCCCC1 602918987 XJFCBYGCFMMWFW-XWIAVFTESA-N 377.435 3.116 30 40 GGEB C=CCn1c(N2CCC(C(=O)Nc3nnc(CC)s3)CC2)nc2ccccc21 19523671 LMXFTOTZNGYTBZ-UHFFFAOYSA-N 396.520 3.491 30 40 GGEB COc1ccc(OCCSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5238203 NMVCITGKYISWFA-UHFFFAOYSA-N 379.441 3.488 30 40 GGEB N#Cc1cccc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)c1 1888928904 NWRXPHKUVUOIQQ-UHFFFAOYSA-N 376.435 3.319 30 40 GGEB CCOc1ccccc1/C=C1\Oc2c(ccc(O)c2CN2CCOCC2)C1=O 22625769 SRWJGRXYSXHBJK-MOSHPQCFSA-N 381.428 3.239 30 40 GGEB C=CCOc1ccc(/C=c2\sc3nc(-c4cccc(C)c4)nn3c2=O)cc1 2193652 ITWLTBSDZGEJSY-AQTBWJFISA-N 375.453 3.239 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102731352 NQZFKRUOJWLELJ-GROYHEBESA-N 380.356 3.211 30 40 GGEB COc1ccccc1[C@H]1N=C(SCc2ccccc2C#N)NC(C)=C1C(N)=O 4893096 AOQMVJSOFTXEQK-LJQANCHMSA-N 392.484 3.260 30 40 GGEB C[C@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12913852 YCPFCJIUPTZMCZ-SJLPKXTDSA-N 376.460 3.236 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)C1CCCCC1 7795528 DNUBJECFOOTFOY-UHFFFAOYSA-N 377.510 3.456 30 40 GGEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)c1OCC 409408763 ZHEVFLCKZXHPDN-MGBSGCIJSA-N 388.851 3.278 30 40 GGEB CN(c1ccc2sc(C(=O)Nc3cccc(C#N)c3)cc2c1)S(C)(=O)=O 225851138 DIYVWPWDPUGVST-UHFFFAOYSA-N 385.470 3.421 30 40 GGEB O=C1CCCC2=C1[C@@H](c1cccnc1)n1nc(SCc3ccccn3)nc1N2 12349842 ONOSWRXZEZOENN-GOSISDBHSA-N 390.472 3.382 30 40 GGEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)O/N=C(\C#N)c1nc3ccccc3s1)OC2=O 5500125 BUHOCYHSLMMFBK-CRGVXCIWSA-N 383.429 3.189 30 40 GGEB Cc1ccc(S(=O)(=O)Nc2c(C#N)cnn2-c2ccc3ccccc3n2)cc1 12239270 YWHWBNXIIDKLPD-UHFFFAOYSA-N 389.440 3.401 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2c2nncs2)cc1 104181263 UIWKPSJSWBPNEY-IBOXJLQUSA-N 377.425 3.473 30 40 GGEB C#CCNC(=O)CNC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 50667452 MBANBXPABKLKCY-UHFFFAOYSA-N 377.831 3.034 30 40 GGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(=O)OCC)CC4)[C@H]3C[C@@H]12 20609731 VLIDGLKYDMEAAQ-NFSXTHTRSA-N 390.524 3.075 30 40 GGEB biogenic C[C@@H](Oc1ccc(C#N)cc1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 58369652 QMBKIEMXEOXRTC-SNVBAGLBSA-N 382.800 3.463 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364668 OKIFEXYGZLJIIE-OAHLLOKOSA-N 387.443 3.142 30 40 GGEB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 8771871 UJYLXXLXFUMFSA-YOEHRIQHSA-N 378.403 3.301 30 40 GGEB CC(=O)C1=C(OC(=O)c2ccccc2Cl)c2ccccc2S(=O)(=O)N1C 13625441 QZQKTUPLEMUFQU-UHFFFAOYSA-N 391.832 3.089 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 7246427 SZHXUQMTJTUCJB-UHFFFAOYSA-N 389.473 3.233 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCc1cccc(C(F)(F)F)c1 7989520 MRIBTIRIEPJTKC-UHFFFAOYSA-N 377.366 3.131 30 40 GGEB C[C@@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)S(C)(=O)=O 56037030 JHCKUCWGYBBIAZ-NSHDSACASA-N 378.837 3.376 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(F)cc2)cc1OC 902840 WZBNOOUMTRROPN-FQEVSTJZSA-N 399.418 3.370 30 40 GGEB CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 5799112 ITIMGLAJVRKSJX-SFHVURJKSA-N 398.846 3.054 30 40 GGEB CC(=O)/C(=C\Nc1nc(C)c(Br)c(C)n1)C(=O)Nc1ccccc1 100068152 OJMLLTQHDHILLA-NTEUORMPSA-N 389.253 3.379 30 40 GGEB C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc(-c2ccncc2)no1 55891626 DOYILTHWLUHLOO-UHFFFAOYSA-N 378.432 3.288 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1cccc(F)c1)c1nccn1C 12551662 FPAADGOUIQEZPY-AUUYWEPGSA-N 378.407 3.104 30 40 GGEB Cc1ccc2nc(SCC(=O)NC3(C#N)CCCCCC3)n(C)c(=O)c2c1 58246008 KCYKZBMDXFPMRT-UHFFFAOYSA-N 384.505 3.067 30 40 GGEB COc1cc(OC)c(OC)cc1CNC(=O)c1c(C)oc(-n2cccc2)c1C#N 12794117 ONYPUTVBGOYPHI-UHFFFAOYSA-N 395.415 3.206 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)CSc2nc3ccccc3c(=O)n2C)cc1 3452202 VWQQXRJXFMNASS-UHFFFAOYSA-N 392.484 3.281 30 40 GGEB Cc1ccc(F)cc1NC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N 12985718 XIOZIAZQZYODSS-UHFFFAOYSA-N 385.342 3.444 30 40 GGEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224237392 GVTXGFBJIRLWDP-UHFFFAOYSA-N 378.881 3.389 30 40 GGEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cccc(Oc3ccc(F)cc3)c1)C2 225682235 OOOMUMUIBUISJP-UHFFFAOYSA-N 389.386 3.376 30 40 GGEB CSc1ncc(C#N)c(N2CCC(COc3ccncc3Cl)CC2)n1 1889114108 HMYSRHSTAOETNH-UHFFFAOYSA-N 375.885 3.414 30 40 GGEB COc1ccc(/N=C2\N=C(C)N/C(=N\c3ccc(OC)cc3)[C@H]2[N+](=O)[O-])cc1 6782745 LRGFEAWSUMPIQF-UHFFFAOYSA-N 381.392 3.131 30 40 GGEB COc1ccc(CCNC=C2C(=O)CC(c3ccc(OC)cc3)CC2=O)cc1 100429117 FOMANVOGWBJCEF-UHFFFAOYSA-N 379.456 3.436 30 40 GGEB COc1ccccc1SCC(=O)N1CCN([C@H](C#N)c2ccccc2)CC1 79015387 HEQFDVIIAHBZPC-GOSISDBHSA-N 381.501 3.196 30 40 GGEB CC(C)N(CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12)C(C)C 22457698 MJHAVTISRMMQFD-NGJIECEZSA-N 392.584 3.222 30 40 GGEB C=CCc1ccc(OCc2nnc3n(CC)c(=O)c4ccccc4n23)c(OC)c1 26777797 BDPKLLFGSKVRBO-UHFFFAOYSA-N 390.443 3.380 30 40 GGEB Cc1ccc(S(=O)(=O)NC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 4208171 JABVDSBLJJOKBI-UHFFFAOYSA-N 375.475 3.317 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 6813216 DBOZTTTXMSNQHM-IBGZPJMESA-N 381.428 3.228 30 40 GGEB N#Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 7989244 KQVDEXFSRBMXMG-SFHVURJKSA-N 384.457 3.245 30 40 GGEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 32503500 SKKSZAPTZJXDMI-GQCRWUHZSA-N 394.562 3.458 30 40 GGEB C=CCOc1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225777133 CILMNQQXMIWZDM-UHFFFAOYSA-N 396.560 3.490 30 40 GGEB CC(=O)OCC(=O)[C@]12O[C@@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254578358 ZGLUWNAFPZDBGF-XOQMWEJJSA-N 388.504 3.190 30 40 GGEB N#Cc1nn(-c2cccc(Cl)c2)nc1N1CCN(c2ccccc2F)CC1 256048663 VGABQIZKSRIEGV-UHFFFAOYSA-N 382.830 3.258 30 40 GGEB C[C@@]12CC[C@H]3[C@H](CC[C@@H]4C[C@H](O)CC[C@@]34C=O)[C@@]13O[C@H]3C[C@H]2c1ccc(=O)oc1 584578894 LFLJTMIVTFTLOA-BZNRZFJGSA-N 398.499 3.437 30 40 GGEB C=CCc1cc(C(=O)OC)cc(OC)c1OC(=O)c1cc(OC)cc(OC)c1 8074248 DEGMCWCMXMDRGT-UHFFFAOYSA-N 386.400 3.447 30 40 GGEB C=C(C)CN(CC)C(=O)CSc1nnc([C@@H]2COc3ccccc3O2)o1 26435913 KSFMQPDYWYZIIC-HNNXBMFYSA-N 375.450 3.099 30 40 GGEB C[C@@H](Sc1nc(N)c(-c2nc(-c3ccccc3)cs2)cc1C#N)C(N)=O 12700298 AJRSDMZZBJSSMP-SNVBAGLBSA-N 381.486 3.292 30 40 GGEB C=CCN1C(=O)/C(=C/c2cccc(OCC(=O)N3CCCC3)c2)SC1=S 408578559 YSZPFBHEORYTPJ-VBKFSLOCSA-N 388.514 3.075 30 40 GGEB COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1 4028697 SBUJQWNPHRABOX-FWDUKEBRSA-N 399.531 3.354 30 40 GGEB biogenic COc1ccccc1CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@H]3C[C@H]12 4046230 LKIBGRZTZMJKEF-QBHJEPNRSA-N 399.531 3.354 30 40 GGEB biogenic Cc1cc(/N=C\c2ccc(OCC(N)=O)cc2)ccc1I 408965960 YAXJMCWDBSWCBG-OCKHKDLRSA-N 394.212 3.214 30 40 GGEB C=CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)C1=S 408729618 HKQKQCFALZTNAU-GHRIWEEISA-N 393.424 3.325 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242538686 JBZKBZOGHKYRIT-YQVWRLOYSA-N 389.860 3.353 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2ccc(C)cc2)N2NN=NC2=N1 2486356 GUJFVRBHTFWBBQ-SFHVURJKSA-N 389.415 3.212 30 40 GGEB C=CC/N=C1/NC(=O)[C@@H](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)S1 6904930 QRUWFUMVQIDIQE-LLVKDONJSA-N 391.802 3.461 30 40 GGEB Oc1cccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c1 4199555 PULQMUPKGJAOAJ-RCCKNPSSSA-N 381.484 3.004 30 40 GGEB CC(=O)Oc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409347569 QDEKVYFXWNWBDA-UHFFFAOYSA-N 392.198 3.216 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C=O)cc3)c2C#N)C1 6407990 ITSCXANUEIXHNW-GFCCVEGCSA-N 382.441 3.353 30 40 GGEB C=CCN(CC(=O)Nc1ccccc1C#N)S(=O)(=O)c1c(C)cc(C)cc1C 8429613 FBLKVIATULLZGA-UHFFFAOYSA-N 397.500 3.299 30 40 GGEB C=CCNc1nnc(SCc2noc([C@@H]3COc4ccccc4O3)n2)s1 84638158 ADXKHTXFWPGTSW-LBPRGKRZSA-N 389.462 3.324 30 40 GGEB CN(C)CCN(Cc1ccc(C#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 32932900 MWQJGJUANVBHSE-UHFFFAOYSA-N 393.512 3.464 30 40 GGEB CCOC(=O)[C@](NC(=O)CC)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F 2281178 FRLBXXPJYRHVER-HNNXBMFYSA-N 391.415 3.250 30 40 GGEB C/C(=N/N=C1/NC(=O)C[C@@H](C(=O)Nc2ccccc2)S1)c1ccc(F)cc1 4996766 FRXNBMYZFRBNPT-GGNAWJQTSA-N 384.436 3.166 30 40 GGEB COc1ccc(NC(=O)COc2ccc(/C=N\O)cc2Br)cc1 105570936 OHJPYRVORNUPIF-NVMNQCDNSA-N 379.210 3.283 30 40 GGEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3n2)cc1 3649286 OECWGDRDKOGPJL-ATVHPVEESA-N 379.416 3.070 30 40 GGEB CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 13989621 CPHZJLNTOPIMMU-JTQLQIEISA-N 375.523 3.395 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)Nc2sccc2C#N)c1 14626574 VQOHVBICHCPXFF-UHFFFAOYSA-N 377.491 3.211 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1cccc(C#N)c1 7989976 LGQPZDRSBQRBKG-UHFFFAOYSA-N 380.473 3.182 30 40 GGEB N#C[C@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218539744 ISBNIDBREBKGJB-YQQAZPJKSA-N 379.796 3.013 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224900253 KJBSPTIEEXQHNU-UHFFFAOYSA-N 389.433 3.243 30 40 GGEB COC(=O)Cn1/c(=N\N=C(/C)c2ccc([N+](=O)[O-])cc2)sc2ccccc21 17175163 KBPMMRMRFPTHLK-WMNPJARVSA-N 384.417 3.109 30 40 GGEB C#CCOC[C@@H]1CCCN(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)C1 49031862 GBWOURNCCBVECQ-CYBMUJFWSA-N 376.305 3.352 30 40 GGEB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1 31773920 UZVYZGOTZPACPE-LLVKDONJSA-N 396.428 3.029 30 40 GGEB C/C(=N/NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1O 101156438 OTRWFVJWMNHJSJ-UNOMPAQXSA-N 385.401 3.156 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Br)s1 1104381 FLVKDCCQPYXMGM-ZDUSSCGKSA-N 398.278 3.365 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccnc2)/C1=C(\O)c1cccs1 102802952 NESPSMRASRXLFT-GROYHEBESA-N 377.425 3.160 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 100301591 KFTVOWXKQNSPKK-HBUCMGDCSA-N 376.387 3.473 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CCC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 100937042 OEJBRXLCMKRGRO-ZNWLFMFGSA-N 394.562 3.431 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N1CC(OCc2cccc3ccccc23)C1 72308930 VUUWCSVLUNXROH-SBUREZEXSA-N 379.504 3.484 30 40 GGEB C=CCN(C(=O)CCNC(=O)c1cccs1)c1nc2c(s1)CCCC2 23263595 DYMBDNFVFFKGFG-UHFFFAOYSA-N 375.519 3.423 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1)S(C)(=O)=O 22532259 QADHTUNUAVLQHQ-HXUWFJFHSA-N 384.501 3.446 30 40 GGEB C[C@H](OC(=O)c1ccccc1Sc1ccccc1C#N)C(=O)N1CCOCC1 11460693 XRBVSNNIACZRES-HNNXBMFYSA-N 396.468 3.114 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnnn2-c2ccccc2)c1 3504021 XLJLWEHJUZAROH-UHFFFAOYSA-N 392.488 3.318 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1 19973893 MOYSMZMTXDXXQJ-IBGZPJMESA-N 398.459 3.127 30 40 GGEB C=CCn1c([C@H](C)c2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1121660749 WFEWUZBTYLFSLB-QGZVFWFLSA-N 394.548 3.395 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cccc(OC)c1 5014458 IXPWUWLWQNSJHZ-LJQANCHMSA-N 381.428 3.310 30 40 GGEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3COC[C@H]3C)C2=O)c1OC 32501349 FGLMBVKWLNZUBS-JFPGXGMNSA-N 397.427 3.204 30 40 GGEB biogenic CCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 2246180 OZBMPBOIWAQOPI-FSJBWODESA-N 376.420 3.172 30 40 GGEB O=S(=O)(c1ccc(/N=C/c2ccc3ncccc3c2)cc1)N1CCOCC1 6167965 NDUZAXLYBWKQEH-PXLXIMEGSA-N 381.457 3.006 30 40 GGEB N#Cc1cccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)c1 5298256 FHKHSVIDWVOCML-UHFFFAOYSA-N 375.384 3.029 30 40 GGEB COc1ccccc1OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1cccnc1 9061342 AHBHYUUWRNKTMZ-UHFFFAOYSA-N 376.416 3.387 30 40 GGEB CCOC(=O)c1[nH]c(C)c(C(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C 9313773 DTXDWHZBMXBIPT-AATRIKPKSA-N 386.360 3.341 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc2ccsc2c1=O 9691187 YVDSGLBDWZIBLE-CHWSQXEVSA-N 377.535 3.431 30 40 GGEB COc1cc(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)c1OC 408749335 FXPGKBLZGDCBSD-IDUWFGFVSA-N 381.186 3.216 30 40 GGEB N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)sc2c1CCCCC2 102445328 VZTRLLOOMSUAFA-GJZGRUSLSA-N 399.516 3.392 30 40 GGEB C[C@@H](CC#N)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 64346434 VWSFCFFGJQPYIE-NSHDSACASA-N 384.358 3.248 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2F)C2CC2)cc1 18213878 FEHRENGNOWAAIF-UHFFFAOYSA-N 388.464 3.095 30 40 GGEB COc1cc(/C=N/N=C2/NC(=O)[C@H](Cc3ccc(C)c(C)c3)S2)ccc1O 6054342 QIBMAWWDTVAYOD-NIQDBXHUSA-N 383.473 3.182 30 40 GGEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)(C)C)cc2)C1=O 8947545 GPAKZKJHAPQGFL-QFIPXVFZSA-N 385.508 3.176 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)cc1OC 5427782 QQAUDNVQAPKJPT-XCLFUZPHSA-N 392.415 3.304 30 40 GGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OC(=O)c2ccco2)cc1 5853611 QRGOQPYYTVMAKX-KRWDZBQOSA-N 398.440 3.021 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 17161455 ZDTLNXACDMGEGL-LJQANCHMSA-N 381.428 3.228 30 40 GGEB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4175664 FKUYLYZJOQMFRZ-CRALRDPISA-N 391.187 3.497 30 40 GGEB N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2c(-c4cccnc4)ccc(=O)n2C3)cc1 3841863 YKPOTGGRJQQYFV-FXAWDEMLSA-N 396.450 3.041 30 40 GGEB biogenic,in-vitro Cc1ccc2c(c1Br)/C(=N/Nc1ccc([N+](=O)[O-])cc1)C(=O)N2 12462636 WQSKKDLXVBGQNO-UHFFFAOYSA-N 375.182 3.434 30 40 GGEB C=CCS(=O)(=O)N1[C@@H]2CC[C@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 100112847 WGEQXZNEIQPTCQ-XPKDYRNWSA-N 375.412 3.453 30 40 GGEB C/C(=N\N=c1\nc(N2CCCCC2)nc(N2CCCCC2)[nH]1)c1cccs1 59514572 RLJHUFBLQUPZMD-HZHRSRAPSA-N 385.541 3.172 30 40 GGEB N#Cc1ccc(F)c(COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1 10892045 QFTKMCISDXLNET-UHFFFAOYSA-N 384.382 3.432 30 40 GGEB Cc1ccc(-c2c[n+](CC(=O)Nc3ccc4c(c3)OCCO4)c3n2CCC3)cc1 13759111 UYUBSQOOHJLENQ-UHFFFAOYSA-O 390.463 3.107 30 40 GGEB COc1cccc(/N=C2\S[C@H](CC(=O)Nc3ccc(F)cc3)C(=O)N2C)c1 4680843 RFTSJWNMQYCMIZ-BWORXHKJSA-N 387.436 3.424 30 40 GGEB CCOc1ccc(/N=C2\N=C(O)C[C@H](C(=O)Nc3ccc(OC)cc3)N2)cc1 987720 UUCWXFZLMKYKDX-QGZVFWFLSA-N 382.420 3.039 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)/C1=C(\O)c1ccc(F)cc1 102893915 UFCWSYFXRZXPEL-WOOAAIBNSA-N 389.386 3.238 30 40 GGEB Cc1noc(-c2ccc(C(=O)O[C@H](C)C(=O)Nc3ccccc3C#N)cc2)n1 22829679 YBKGTLWKEQOEFC-GFCCVEGCSA-N 376.372 3.101 30 40 GGEB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118928362 XQVPPASTQTXMTK-ZTHGNWFUSA-N 388.504 3.380 30 40 GGEB Cc1nn(Cn2ccc(C(=O)Nc3ccc(C#N)cc3)n2)c(C)c1Br 27973386 ZEDRDPFHDWNVRC-UHFFFAOYSA-N 399.252 3.089 30 40 GGEB COC(=O)COc1c(Cl)cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Cl 409075995 WDUXREWIZFAKGT-FBCYGCLPSA-N 399.190 3.294 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccn1 5799437 ZFKIUIYNAKCWIY-YDJIHCHBSA-N 393.487 3.154 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 16927695 PUFHTIYGAZNXMA-OLZOCXBDSA-N 393.944 3.326 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 409045193 FVWRDXSNXKXGLX-JNYQPBIVSA-N 396.446 3.239 30 40 GGEB C=CCNC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448398 ULYMGBOWIGXPIB-ZDUSSCGKSA-N 390.892 3.396 30 40 GGEB N#CC1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218175784 ZSZPXENVZHHLPU-SJORKVTESA-N 386.816 3.042 30 40 GGEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2 224825507 QKNPOKYVTWQFMW-UHFFFAOYSA-N 375.446 3.238 30 40 GGEB C#CCOc1ccc(CN2CCC(c3n[nH]c4ncccc34)CC2)cc1OC 12221376 LOVFXEYRQVJCKW-UHFFFAOYSA-N 376.460 3.358 30 40 GGEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)S/C1=N/c1nccs1 100849185 SHKDKPRHXNUCMB-AJMWVYNUSA-N 390.465 3.429 30 40 GGEB COc1ccccc1[C@@H]1/C(=C(\O)c2ccco2)C(=O)C(=O)N1c1cc(C)on1 102721372 IPAIFWLWBNFNBA-GROYHEBESA-N 380.356 3.211 30 40 GGEB CN(Cc1ccc(OC(F)F)cc1)Cc1nc2ccccc2c(=O)n1CC#N 52921984 HWQRZYXTNSZQND-UHFFFAOYSA-N 384.386 3.153 30 40 GGEB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc(C#N)cc1 12534920 GVOOGVWJHXUHGX-ZDUSSCGKSA-N 378.363 3.067 30 40 GGEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc2ccsc2c1=O 9691186 YVDSGLBDWZIBLE-STQMWFEESA-N 377.535 3.431 30 40 GGEB C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@H](C)N(c2ccc(C)cc2)C1=O 14183428 BPYVRFVIONDHEY-INIZCTEOSA-N 397.500 3.428 30 40 GGEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1C 6586979 JBHPFOVIPBDYSH-AWEZNQCLSA-N 378.461 3.270 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 7705773 GRPGPASJQPHRRK-UHFFFAOYSA-N 398.440 3.065 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2nnnn21 8395187 DRNFATKOIDSETD-LJQANCHMSA-N 389.463 3.134 30 40 GGEB C=CCOc1ccc(NC(=O)[C@@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 218453839 QNWPIJZOJQSBAY-CQSZACIVSA-N 392.452 3.184 30 40 GGEB CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C#N)c2)s1 604205440 UREOMQVRTUBNNS-SECBINFHSA-N 383.882 3.271 30 40 GGEB COc1ccccc1N1CCN(C2CCN(Cc3ccc(C#N)s3)CC2)CC1 1888875871 VRRYQAHIACBWPF-UHFFFAOYSA-N 396.560 3.415 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2ccc(O)cc2)cc1 9330693 JPJCHPZHTNZQGJ-QVKFZJNVSA-N 388.427 3.408 30 40 GGEB CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H](C)C1 101451765 OMHVDGXECMRTIY-ROUUACIJSA-N 381.561 3.136 30 40 GGEB COc1ccc(OC)c([C@@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)c1 959833 MFMPAHGXHUMGNX-OAHLLOKOSA-N 399.472 3.074 30 40 GGEB CSc1nc(C2CC2)cc(C(=O)Nc2ccc3c(c2)NC(=O)CO3)c1C#N 27104355 KCTXIOHUXZWTEJ-UHFFFAOYSA-N 380.429 3.136 30 40 GGEB CC(C)Oc1c(Br)cc(Br)cc1/C=N/NC(N)=S 8830423 ISLRYAQCJYQFQU-PJQLUOCWSA-N 395.120 3.166 30 40 GGEB aggregator CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 20445179 OTMHBDCEIHWQHZ-SVQNHAPJSA-N 380.535 3.033 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCCO2 84372181 GPXPSWZADFAVOP-HUUCEWRRSA-N 377.393 3.046 30 40 GGEB C=CCN1CCN([C@@H](c2ccccc2Cl)c2nnnn2C2CCCC2)CC1 20139142 ZLWCIFYMJFAIMS-IBGZPJMESA-N 386.931 3.335 30 40 GGEB C#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OCC 408936499 KPEADFKZYVUTLS-UNOMPAQXSA-N 384.348 3.360 30 40 GGEB COc1ccc([C@@H]2[C@H](/C(O)=N/c3ncn[nH]3)c3ccccc3C(=O)N2C)cc1 95473707 KVKUPSFVEKYNQJ-IAGOWNOFSA-N 377.404 3.012 30 40 GGEB Cc1ccnc(Br)c1NS(=O)(=O)c1ccc(C#N)c(Cl)c1 84250895 JKXFPONVPSDTAW-UHFFFAOYSA-N 386.658 3.478 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[nH]c(=O)c2[C@@H]1c1ccncc1 100951328 CSBJOLRNCIZLBR-OAHLLOKOSA-N 396.472 3.004 30 40 GGEB CN1/C(=C\C(=O)Cn2nc(-c3cccs3)oc2=O)C(C)(C)c2ccccc21 32751607 HJRMZQNNOHVQAB-BOPFTXTBSA-N 381.457 3.445 30 40 GGEB C=CCOc1ccccc1/C=N/N=C1/NC(=O)[C@H](Cc2cccc(OC)c2)S1 6458108 SHDSQOXJRRXHIH-KWJZBXMYSA-N 395.484 3.424 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccnc2)/C1=C(O)/C=C/c1ccco1 8973495 RVGSHKKTADFLLP-BMYXOPPQSA-N 387.395 3.248 30 40 GGEB COc1ccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)cc1OC 19909825 JYJAITQMASHBJO-ZZXKWVIFSA-N 391.217 3.428 30 40 GGEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1cccc(C(F)(F)F)c1 408535788 OVNDRSNAGPOVOH-LBPRGKRZSA-N 393.296 3.446 30 40 GGEB C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408803902 UOQLJPWAOIYVMI-LDADJPATSA-N 392.411 3.235 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)cc1 408795036 UMLGZFZWVIBNCR-ZJYZBMPFSA-N 383.444 3.103 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C#N 225774130 LLTGOVFTCQEBBC-UHFFFAOYSA-N 378.428 3.479 30 40 GGEB N#CCCSc1ccccc1NC(=O)Cc1csc(N2CCCC2=O)n1 95953415 FVSSJOIHFGTSNJ-UHFFFAOYSA-N 386.502 3.457 30 40 GGEB N#Cc1nc(-c2ccc(COc3ccc(Cl)cc3)o2)oc1N1CCNCC1 40165763 NJTSVBXXYNQENK-UHFFFAOYSA-N 384.823 3.448 30 40 GGEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)S/C1=N/c1cccc(C(=O)O)c1 100927934 ZSECGHCATMNBLV-SDHVYIKKSA-N 399.384 3.232 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2ccccc21 20744548 CFUJWTLOTGKZTN-QFIPXVFZSA-N 386.386 3.269 30 40 GGEB N#Cc1ccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)cc1 11999241 SEUBBNYKGJFXQE-UHFFFAOYSA-N 389.864 3.394 30 40 GGEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c(OC)c1 852331 KIRGBLQQTVCISL-FQEVSTJZSA-N 381.428 3.231 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 102800366 YSNWPSPDYVRJGI-SELCWUDQSA-N 396.399 3.053 30 40 GGEB CCCCCCCCn1c(N2CCC(C)CC2)nc2c1c(=O)[nH]c(=O)n2C 53319426 FZWYDFYEUPWXEU-UHFFFAOYSA-N 375.517 3.020 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1cccs1 5576819 OIEZGYRDHOAANU-HVESIFNPSA-N 388.464 3.261 30 40 GGEB CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nc2ccsc2c1=O 23053649 CYDJQWDGVMGUKF-JTQLQIEISA-N 390.515 3.211 30 40 GGEB CCOC(=O)/C(=N/CCCN(C)C)NNc1cc(C(F)(F)F)ccc1Cl 3188167 VNVZZNMLUUYADY-UHFFFAOYSA-N 394.825 3.189 30 40 GGEB COCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2302976 GPCJNAYIVIATDV-KRWDZBQOSA-N 397.523 3.118 30 40 GGEB O=C(O)C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)N(c2ccc(O)cc2)C1=O 6133007 UBMDNGZRWUVUFR-KHXQKPHCSA-N 395.440 3.371 30 40 GGEB C[C@H](Sc1nnnn1C1CC1)C(=O)Nc1sc2c(c1C#N)CCCCC2 8313820 MJYMUAMEWUGKNK-JTQLQIEISA-N 388.522 3.329 30 40 GGEB COc1ccc2c(c1)c(C(=O)N1CCN(CC#N)CC1)c(C)n2-c1ccccc1 19904107 RCSJDRSFGKXCEB-UHFFFAOYSA-N 388.471 3.229 30 40 GGEB N#Cc1c(N2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc2cc(Cl)ccn12 579279957 DCGJFOLQVIUIQB-HXUWFJFHSA-N 384.842 3.430 30 40 GGEB N#Cc1c(SCC(=O)Nc2cccc(F)c2)sc2c(O)cc(=O)[nH]c12 13119401 SCXHSEMHSCHTCR-UHFFFAOYSA-N 375.406 3.037 30 40 GGEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 14608171 ROQUDWKJTROYMN-SGTLLEGYSA-N 377.360 3.195 30 40 GGEB COc1ccc([C@@H]2CCc3cc4c(cc3/C2=N/OC(C)=O)OCO4)cc1OC 16982593 ZLNILMHQBVKPMC-SKAIHHOBSA-N 383.400 3.430 30 40 GGEB N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 19961410 CLERWKSODXDYON-GJZGRUSLSA-N 391.818 3.391 30 40 GGEB COc1ccc(C)cc1CN(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 32879718 VYAWYSKQEDYUKR-UHFFFAOYSA-N 378.476 3.145 30 40 GGEB COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1C[C@H]1CCCO1 794997 KDKAVGSJRVYLBF-ACJLOTCBSA-N 383.400 3.046 30 40 GGEB COC(=O)CN(c1ccc(C#N)c2ccccc12)S(=O)(=O)c1ccccc1 1610529 KIFIJQONBSXGKD-UHFFFAOYSA-N 380.425 3.080 30 40 GGEB CCCCn1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 4400799 BYQIJYYJOGNQNF-UHFFFAOYSA-N 376.511 3.016 30 40 GGEB COC(=O)C1=C(c2ccc(Cl)cc2)Nc2ncnn2[C@H]1c1ccc(C#N)cc1 59227896 JDPWWCATXPCIEA-SFHVURJKSA-N 391.818 3.402 30 40 GGEB C[C@@H](Oc1ccccc1)/C(O)=N/c1nc2n(n1)[C@@H](c1ccccc1)CC(=O)N2 2333011 IXPMJODXFQTJDI-CZUORRHYSA-N 377.404 3.265 30 40 GGEB C[C@H]1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3sccc3C#N)c2)C1 3405273 DQZORQMRMRXKHE-ZDUSSCGKSA-N 389.502 3.293 30 40 GGEB O=C(O)[C@]1(c2ccccc2)CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 4752002 CTMVPQXTZDHTSF-ZJYZBMPFSA-N 384.348 3.477 30 40 GGEB CCCOc1cccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1 6783494 RRXPJJMITNHQPJ-WOOAAIBNSA-N 398.459 3.052 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Cl 409146946 UCBZAJUGOFMMKB-IZZDOVSWSA-N 386.212 3.126 30 40 GGEB C=CCc1cc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)ccc1OC 408703638 VHYPDNBYMPPTTK-UHFFFAOYSA-N 380.444 3.148 30 40 GGEB NC(=O)COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1 408904237 GXIZKRNZACMKQW-NVNXTCNLSA-N 387.848 3.096 30 40 GGEB COc1ccc(S(=O)(=O)N/N=C(\C)c2ccc(Br)cc2)cc1 5282590 FJHHHYPVVNZZBK-GZTJUZNOSA-N 383.267 3.160 30 40 GGEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 40154091 DVFVINARUBJISS-ZIAGYGMSSA-N 396.413 3.441 30 40 GGEB CCOc1cc(/C=N/NC(=S)NC)ccc1OCc1ccc([N+](=O)[O-])cc1 980731 AJBZATSJMXFOHS-RGVLZGJSSA-N 388.449 3.000 30 40 GGEB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2SCC#N)cc1[N+](=O)[O-] 3363540 JGKPYRGGDXENBJ-UHFFFAOYSA-N 385.401 3.314 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)OCc3nc4ccccc4s3)cc2C1=O 3567723 CUMQFTXWELNTSD-UHFFFAOYSA-N 378.409 3.435 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)cc1 4503831 YVMZTJGIFZDYBG-UDWIEESQSA-N 384.413 3.266 30 40 GGEB N#Cc1ccc(NC(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)cc1 6881751 MIMDBXDKXOSURP-AUEPDCJTSA-N 390.321 3.157 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCCCC3)o2)cc1 12421035 BLTMYLLUZXOTHU-UHFFFAOYSA-N 388.493 3.234 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32508259 OHKUZZUEQVOIOI-RGEMVIMISA-N 380.535 3.095 30 40 GGEB C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C[C@H](C)O1 32831182 AZQHXPBRXMNQDN-IRXDYDNUSA-N 378.476 3.489 30 40 GGEB S=C(N/N=C\c1cc2c(cc1Br)OCO2)Nc1ccccc1 34782296 XILLEMRMRRDNTD-IUXPMGMMSA-N 378.251 3.498 30 40 GGEB Cc1cccc(OCCCNC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)c1 40082193 RUSROLFQFXHAAL-UHFFFAOYSA-N 391.475 3.044 30 40 GGEB CC#CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)N1CCOCC1)C2 49171732 GZPJHZWJGQNMPM-SFTDATJTSA-N 393.531 3.125 30 40 GGEB biogenic,in-vitro C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225038306 UUZVQQXMXMEDST-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB C#CCOC(=O)c1cc(Br)c(OCc2cccnc2)c(OC)c1 226321391 DKQNRXBCLXTYDY-UHFFFAOYSA-N 376.206 3.222 30 40 GGEB CCOC(=O)[C@@](C#N)(Cc1c(-c2ccccc2)[nH]c2ccccc12)NC(C)=O 6403554 KPRHVWUKDWVJAI-QFIPXVFZSA-N 375.428 3.339 30 40 GGEB CC/N=C1\S[C@@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC 102420459 MQNDRSWZOKKFBT-JTFSYWPOSA-N 384.299 3.118 30 40 GGEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CC(=O)N(Cc2ccco2)C1 12546030 OWAQFTSAANZODU-GOSISDBHSA-N 385.423 3.062 30 40 GGEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(O)/C=C/c1ccc2c(c1)CCO2 58150595 DLMFWJGKWNQZMU-ZZXKWVIFSA-N 378.837 3.170 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccs1 6238821 BOWKXPDSXMPJSM-QGZVFWFLSA-N 387.457 3.372 30 40 GGEB COc1cc(/C=N/NC(N)=S)ccc1OCCCOc1ccc(C)c(C)c1 4590156 ICXLQTWRTBHEPG-LPYMAVHISA-N 387.505 3.327 30 40 GGEB N#Cc1c(NC(=O)CSc2nnc(NC3CC3)s2)sc2c1CCC2 7577457 LLIGJEHZMWIPKD-UHFFFAOYSA-N 377.520 3.265 30 40 GGEB C=CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222849457 WDJBLLVYJWQDNN-INIZCTEOSA-N 386.879 3.438 30 40 GGEB N#CCOc1ccccc1/C=C1\C(=O)NN(c2ccc(Cl)c(Cl)c2)C1=O 4714563 LUAVPAOMDPCKPO-UKTHLTGXSA-N 388.210 3.357 30 40 GGEB O=C1C=C(S(=O)(=O)O)c2ccccc2/C1=N/Nc1ccc2ccccc2c1O 33917710 QNEGQZGHPJUFJX-QOCHGBHMSA-N 394.408 3.173 30 40 GGEB in-vitro COc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1C(=O)O 792227 ROMFYKPUTWSMIC-UHFFFAOYSA-N 381.428 3.437 30 40 GGEB C#CCn1cc(/C=C2\SC(=O)N([C@@H](C)C(=O)OCC)C2=O)c2ccccc21 981117 ABBLQAZPRJSTDT-MFVBVHDHSA-N 382.441 3.262 30 40 GGEB C=CCNC(=O)c1c(N)n(CCc2ccc(F)cc2)c2nc3ccccc3nc12 2445669 CAFBFBXDRSSYDT-UHFFFAOYSA-N 389.434 3.464 30 40 GGEB CCn1c(S[C@H](C)C(=O)Nc2ccccc2C#N)nc2ccccc2c1=O 6093877 HDBDVIYARSEWBQ-CYBMUJFWSA-N 378.457 3.407 30 40 GGEB CO/C(O)=C(\C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2 13125539 ISFZIIOXPDOTQF-LDADJPATSA-N 391.493 3.127 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1F 15812744 HVNRUTRXHHKHQH-ZDUSSCGKSA-N 383.448 3.308 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc1 26686087 KMCVYFIFWJMEOV-UHFFFAOYSA-N 394.880 3.374 30 40 GGEB Cc1nc(C(F)(F)F)ccc1C(=O)OCC(=O)Nc1oc(C)c(C)c1C#N 31157326 RQNGGRSGYCVDBO-UHFFFAOYSA-N 381.310 3.286 30 40 GGEB COc1cccc(N2CCN(CC(=O)Nc3sc(C)c(C)c3C#N)CC2)c1 36186398 JUADFNNOKNIGMK-UHFFFAOYSA-N 384.505 3.006 30 40 GGEB COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@]2(C#N)C(=N)O4)c(OC)c1 102681676 FMBYCPFMBKMTOE-SGLNWRHMSA-N 392.415 3.213 30 40 GGEB N#CCc1ccc(NC(=S)NCc2ccccc2CN2CCCC2=O)cc1 225651820 XWDQZJZMBAPKRO-UHFFFAOYSA-N 378.501 3.362 30 40 GGEB COc1ccc2c(c1)CCC[C@]2(O)C#C[C@@]1(O)CCCc2cc(OC)ccc21 4769003 MHOMBPPRCDOIMK-ZEQRLZLVSA-N 378.468 3.455 30 40 GGEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 7985060 TXBCXNHMLMHUHF-LLVKDONJSA-N 379.781 3.046 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)OCc2nc(-c3ccc(F)cc3)no2)cc1 23221482 QZUNKKCAOQKCEE-UHFFFAOYSA-N 380.335 3.085 30 40 GGEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)c(OC)c1OC 12348524 MMUHEKIIUVJNPQ-CQSZACIVSA-N 399.447 3.342 30 40 GGEB C=CCn1c(Cc2csc(NC(=O)c3n[nH]c4ccccc34)n2)n[nH]c1=S 24752127 WMKMTOSNRXYZIE-UHFFFAOYSA-N 397.489 3.303 30 40 GGEB CCOC(=O)c1cc(C#N)c(S[C@H](C)C(=O)N2CCCCCC2)nc1C 7302100 RZRVNIYCTFRJMO-CQSZACIVSA-N 375.494 3.322 30 40 GGEB Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)c1 408904175 FWWPCNXYBDDJHV-YVLHZVERSA-N 381.457 3.059 30 40 GGEB NC(=S)N/N=C\c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1 33927544 UABVPQDIMMBSFE-JMIUGGIZSA-N 383.458 3.461 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 226420779 RZUWRAFWFCFTQI-VEFGYQGYSA-N 391.383 3.386 30 40 GGEB COc1ccc(C(=O)C2=CON=C(C(F)(F)C(F)(F)C(F)(F)F)N2)cc1 5981925 TUQFWTNTSMMVSP-UHFFFAOYSA-N 386.223 3.486 30 40 GGEB N#CC1(C(=O)N2CC[C@H]3OCCC[C@@]3(COCc3ccncc3)C2)CCCC1 1565543038 JHSGEMCAZUXEJV-KNQAVFIVSA-N 383.492 3.080 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccc(I)cc1 100626973 IEQYMMPQZUOVJE-LCYFTJDESA-N 391.164 3.389 30 40 GGEB Cc1ccnc(NS(=O)(=O)c2ccc(/N=C\c3ccc(N(C)C)cc3)cc2)n1 104210775 BWHIFBQQCGSMIK-HMAPJEAMSA-N 395.488 3.402 30 40 GGEB O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 5377550 HQTIBPLHNWHEGJ-ODLFYWEKSA-N 379.393 3.466 30 40 GGEB CCCn1c(SCC(=O)Nc2cccc(C#N)c2)nc2ccccc2c1=O 8195343 VOIIIKFHYATBRV-UHFFFAOYSA-N 378.457 3.409 30 40 GGEB CN(CCC#N)C(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1 8692792 LFDAGEJYIQBHTP-UHFFFAOYSA-N 384.486 3.116 30 40 GGEB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCN(c2ccccc2C#N)CC1 52801219 LKKCGOJJCSOTQD-OAHLLOKOSA-N 384.430 3.376 30 40 GGEB COc1ccc(C(=O)[C@@H](CCC(=O)/C=C\c2ccccc2)S(C)(=O)=O)cc1 17139541 PCXUKZBEDIBADR-NHHWLVAYSA-N 386.469 3.354 30 40 GGEB COc1ccccc1N1C(=O)C[C@H](S/C(=N\C#N)Nc2ccccc2)C1=O 113480719 PFPKIJHOWPHRTB-INIZCTEOSA-N 380.429 3.009 30 40 GGEB CC(C)C[C@H](NC(=O)OC(C)(C)C)/C(N)=N/OCC(=O)N(C)C1CCCCC1 40158236 SYYVPVIPTDWDKI-INIZCTEOSA-N 398.548 3.006 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCC1(c2ccccc2)CCC1 32824905 HKZCTXQUVFANPZ-UHFFFAOYSA-N 387.487 3.389 30 40 GGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1cccc(OC)c1OC)C2=O 5900983 QWXJBHYUIPQTNV-ZDLGFXPLSA-N 384.384 3.262 30 40 GGEB biogenic CCOCCCNC(=O)CSc1cc(C)c(C#N)c2nc3ccccc3n12 6653018 NMDGZUHCQBUQPN-UHFFFAOYSA-N 382.489 3.303 30 40 GGEB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)C(=O)N(O)C(=O)C[C@@H]4[C@@H]3CC[C@@H]2C1 8616314 LSLMBSPEDYWCBK-RDMGKRHOSA-N 377.481 3.315 30 40 GGEB C#CCOc1ccccc1CN1CCC(NC(C)=O)(c2ccccc2F)CC1 12344685 XOZMLFPMKBJGFI-UHFFFAOYSA-N 380.463 3.465 30 40 GGEB N#Cc1nc(/C=C/c2ccc(F)cc2)oc1N1CCN(C(=O)c2ccco2)CC1 12418663 YBCOISJXTUGWQK-VMPITWQZSA-N 392.390 3.411 30 40 GGEB CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1 13127834 JPLUQBMWEDSCDR-LJQANCHMSA-N 398.459 3.207 30 40 GGEB Cc1cc(C(=O)C[C@H]2S/C(=N\N=C\c3ccco3)NC2=O)ccc1Cl 16754616 LENJJUHTEOIFTG-VTNJTDAWSA-N 375.837 3.436 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2cccc(F)c2)cc1 19904238 GLYPRRKFJYFDNZ-SFHVURJKSA-N 383.375 3.187 30 40 GGEB CCNC(=S)N/N=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12 33633925 AIQDKHLXSUPTTH-FOKLQQMPSA-N 397.479 3.237 30 40 GGEB COC(=O)c1cnn2c1NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccccc1OC 49551302 ZBMIKSDTPUWYAG-SFHVURJKSA-N 381.432 3.336 30 40 GGEB N#Cc1c(Cl)nsc1N1CCC(C(=O)NCc2ccc(F)cc2)CC1 52427959 KHEPHTIIPHHWLQ-UHFFFAOYSA-N 378.860 3.340 30 40 GGEB N#Cc1cccc(Cn2c(=O)n(CCc3cccs3)c(=O)c3sccc32)c1 90610238 GJOHXTSSPZVWFD-UHFFFAOYSA-N 393.493 3.449 30 40 GGEB CCO[C@](F)(C(F)(F)F)C(F)(F)O[C@](F)(CC(F)(F)F)C1=NCCN1 97949681 GJAJOZGKSUZEQO-VXNVDRBHSA-N 394.209 3.480 30 40 GGEB COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c(OC)c1 102717426 WFPVKCNKMSFYHM-SGLNWRHMSA-N 392.415 3.213 30 40 GGEB C=CCc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(OCC)c1OCC 409125919 GFERCLWTPRWJSE-XNTDXEJSSA-N 391.445 3.333 30 40 GGEB COc1cccc2sc(N3C[C@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2087046258 HGCFKNHAZWHHRW-HUUCEWRRSA-N 377.473 3.144 30 40 GGEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2c(C)cc(C)cc2[nH]c1=O 883095 FOFGYVHWEFCLRT-INIZCTEOSA-N 375.428 3.475 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccco2)c1 6197062 ZQTKRYABORHHPZ-SFHVURJKSA-N 385.416 3.293 30 40 GGEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1Cl 5515991 VXIILHSVWHOTKA-SFWGKQECSA-N 393.317 3.005 30 40 GGEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1C(F)(F)F 408534112 LIFGNSLGUWPLRM-UUIJZJDISA-N 393.365 3.291 30 40 GGEB Cc1cc(NC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)n(CCC#N)n1 600816052 BSSWGEPRAGAKMF-CZUORRHYSA-N 378.354 3.226 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)N[C@@H](C3CCC3)[C@@H]3CCCO3)CC2)c(F)c1 601878357 XDIBUBNABSTCNG-SFTDATJTSA-N 385.483 3.378 30 40 GGEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccccc3Cl)c2)c1 5863345 CCCFHEYDBDLVQA-UHFFFAOYSA-N 380.787 3.308 30 40 GGEB N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc2n(c1=N)CCc1cc3c(cc1-2)OCO3 101358441 ROSYGBOEQGMZTP-UHFFFAOYSA-N 386.367 3.366 30 40 GGEB N#Cc1c(NC(=O)CSc2nncn2-c2cccnc2)sc2c1CCCC2 4126809 DJPMFNSEOKWJJI-UHFFFAOYSA-N 396.501 3.205 30 40 GGEB CCCCOc1ccc(/C=N/NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 2769616 STOYPDPCOLFTMI-XSFVSMFZSA-N 389.477 3.136 30 40 GGEB COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N\O 1001916 RKEDCAXAFNXKJJ-NVMNQCDNSA-N 379.210 3.283 30 40 GGEB N#CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC3CC3)c2)cc1 12760595 QDIBIYUXLMQYID-UHFFFAOYSA-N 389.864 3.099 30 40 GGEB N#Cc1ccc(C(=O)NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 12780878 ZGNISUIWHDCHBG-UHFFFAOYSA-N 379.729 3.203 30 40 GGEB Cc1cc(C)c(NC(=O)CN(C)[C@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 13041427 ATGXORLBHUQKKB-QGZVFWFLSA-N 378.476 3.381 30 40 GGEB CCSc1nc2n(n1)[C@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2 4436228 PUNOJWZTIHWKRD-QGZVFWFLSA-N 386.477 3.429 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1Br 408726167 QLSRLOOAFJTKDP-HNONJZJJSA-N 385.261 3.289 30 40 GGEB C=CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nc2ccsc2c1=O 9691185 YVDSGLBDWZIBLE-OLZOCXBDSA-N 377.535 3.431 30 40 GGEB CCCCNS(=O)(=O)c1ccc2nc(Sc3ccc(C#N)cn3)[nH]c2c1 40050774 KEOMMGCHRKUBPP-UHFFFAOYSA-N 387.490 3.059 30 40 GGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\Cc3ccco3)NC2=O)cc1Cl 21224327 QGKFYDOWIJSUEW-CQSZACIVSA-N 377.853 3.358 30 40 GGEB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@@H](c3ccco3)CC2=O)N1 100420994 GQQMMIPCMCKSTF-RISCZKNCSA-N 384.819 3.408 30 40 GGEB C=CCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 2631865 FMYFMQFHGVICHW-UHFFFAOYSA-N 376.412 3.369 30 40 GGEB CC(C)(C)OC(=O)c1ccc(NCC2=C(Br)C(=O)C=CC2=O)cc1 1650143 IKXATUBKZNLNKH-UHFFFAOYSA-N 392.249 3.411 30 40 GGEB N#Cc1ccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1 12641619 YVOAFJDRYHEVMS-UHFFFAOYSA-N 386.337 3.208 30 40 GGEB NC(=S)N1N=C(c2ccccc2)/C(=N/Nc2ccc(Cl)c(Cl)c2)C1=O 5683536 FWMNYMLKSYBLLD-STZFKDTASA-N 392.271 3.251 30 40 GGEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Br)C2=O 9419075 VYLWXIZHVLFEOP-NVNXTCNLSA-N 395.230 3.404 30 40 GGEB C=CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409355951 FZTMIPSFMZIEKX-UHFFFAOYSA-N 385.807 3.211 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 32503314 JYEJBIWTOWZXEH-YTLYVFJMSA-N 394.562 3.028 30 40 GGEB C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)N1CCOCC1)C2 49171869 VMZGAMVWOWTBEO-PMACEKPBSA-N 381.520 3.288 30 40 GGEB biogenic,in-vitro CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 6002234 UQLMPAUQYDKRFF-HNNXBMFYSA-N 383.473 3.455 30 40 GGEB COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)N2NN=NC2=N1 1417461 NWOWWIIVKVHFEB-INIZCTEOSA-N 395.806 3.248 30 40 GGEB C=C(C)Cn1c(SCc2ccc3ccccc3c2)nc2c1c(=O)[nH]c(=O)n2C 2344204 PCNVPNFNGWCFIM-UHFFFAOYSA-N 392.484 3.445 30 40 GGEB C=C(C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)C(=O)O 38528782 JNPHNLUWBHJCHM-GOSISDBHSA-N 381.384 3.009 30 40 GGEB C[C@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1cccc(C#N)c1 4315022 KJWQRLDDBKOUQY-NSHDSACASA-N 398.879 3.303 30 40 GGEB COc1ccc(N2C(=O)[C@@H](CC(=O)O)S/C2=N\N=C\c2cccs2)cc1 4877618 KKSQPCCNAGLCAC-RGQGTRSXSA-N 389.458 3.070 30 40 GGEB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C 118940147 HYPKNITXJMDRAR-MPOGTKMKSA-N 390.520 3.270 30 40 GGEB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C#N)c1 225771116 UDPKHTGNAGZQTN-UHFFFAOYSA-N 381.388 3.162 30 40 GGEB N#Cc1cccc(CS(=O)(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)c1 108399949 ZAOQTABYHLCBMQ-GOSISDBHSA-N 394.855 3.254 30 40 GGEB C[C@H](Sc1nnc(-c2cccs2)n1N)C(=O)N(CCC#N)c1ccccc1 4537023 ISUXUDXLIFHUDL-ZDUSSCGKSA-N 398.517 3.148 30 40 GGEB COc1cc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)ccc1OCC(=O)O 8078565 NUZFBEFJXVNERR-DUXPYHPUSA-N 390.775 3.437 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C2C(=C/c3ccccc3)/N3CCC/2CC3)cc1 35742149 CTDRZKJRDNESON-NXICHMRKSA-N 381.501 3.396 30 40 GGEB COc1ccccc1N1C(=O)NC(=O)[C@H](C=Nc2cccc3ccccc23)C1=O 408530226 DOUSKWYJMWIXNM-INIZCTEOSA-N 387.395 3.450 30 40 GGEB N#C[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218546696 FRORVPDHKOKWRN-VYDXJSESSA-N 379.796 3.013 30 40 GGEB N#Cc1cc(S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1Cl 32932950 CPBMYGCVRZLMJD-UHFFFAOYSA-N 396.299 3.376 30 40 GGEB O=C1/C(=N\Nc2ccccn2)c2cc(C(F)(F)F)ccc2N1C1CSC1 223745536 LXGLUCKSAFLENM-HAHDFKILSA-N 378.379 3.379 30 40 GGEB COc1ccc([C@H]2[C@@H](/C(O)=N/c3ncn[nH]3)c3ccccc3C(=O)N2C)cc1 95473710 KVKUPSFVEKYNQJ-IRXDYDNUSA-N 377.404 3.012 30 40 GGEB C(=N/OCc1nc2c3cnn(Cc4ccccc4)c3ncn2n1)\c1ccccc1 2372414 SGMKHCLKOIELSQ-BHGWPJFGSA-N 383.415 3.073 30 40 GGEB N#Cc1ccccc1COc1ccc(/C=C2/NC(=O)NC2=O)cc1Br 6222396 YNGMAPPWNDIWRE-OVCLIPMQSA-N 398.216 3.080 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@H]2c1ccccc1Br 18200683 UBRHBOPMSHVRJL-AWEZNQCLSA-N 388.269 3.281 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H](C)CC)nnc1-c1ccc([N+](=O)[O-])cc1 3556244 FPLUZHWFBBBQPC-LBPRGKRZSA-N 375.454 3.046 30 40 GGEB C=CCn1nnc2c(sc3nc(N4CCCC4)c4c(c32)CC(C)(C)OC4)c1=O 13691183 RISVNWBGDKUJJB-UHFFFAOYSA-N 397.504 3.039 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1Cl 4427708 KMVYOORRELZUEY-GHNGSUTGSA-N 384.863 3.323 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCSc2ccc(F)cc21 14234511 YRRZAUMKMRTJIK-KRWDZBQOSA-N 385.464 3.288 30 40 GGEB C=C(C)CSc1nnc2n1-c1sc3c(c1-c1ncnn1-2)CC(C)(C)OC3 5499695 GUDFOZZDMXCMKZ-UHFFFAOYSA-N 386.506 3.409 30 40 GGEB COCc1cc(C)nc(N/N=C/c2cc(Br)ccc2O)c1C#N 4750799 VFSAYDSCQRGDJW-UFWORHAWSA-N 375.226 3.322 30 40 GGEB C=CCc1cc(C(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1OC 216945643 ZMCAZHVRLVGOTI-UHFFFAOYSA-N 379.504 3.106 30 40 GGEB O=C1CCCN1c1cccc(/C(O)=N/S(=O)(=O)c2ccc(Cl)cc2)c1 48409912 VYULMYVKNSYAIS-UHFFFAOYSA-N 378.837 3.160 30 40 GGEB CC(=O)C1=C(c2ccc(C)cc2)N(C(C)=O)n2c(nnc2C(F)(F)F)S1 5223714 XVCRZEXMFYIYGW-UHFFFAOYSA-N 382.367 3.153 30 40 GGEB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 5373384 LYHMBCLIGWSIJH-UHFFFAOYSA-N 389.502 3.435 30 40 GGEB CCN(C[C@H](C)C#N)C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1 40119502 AHNGVYLNZXBCLU-MRXNPFEDSA-N 385.489 3.133 30 40 GGEB COc1ccc(/N=C2\S[C@@H](C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1 2727644 ZKHBQYJOJJLWJR-DVSFIDLUSA-N 386.429 3.315 30 40 GGEB O=[N+]([O-])c1ccc([C@@H]2C[C@H](C(Cl)(Cl)Cl)OS(=O)(=O)O2)cc1 3154968 PJXNJUSJPRZPOY-DTWKUNHWSA-N 376.601 3.056 30 40 GGEB C=C(Cl)COC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 4894737 LEWPSHYXLMDCIT-VZAMPYOESA-N 376.796 3.267 30 40 GGEB N#Cc1cccc(S(=O)(=O)NCC(=O)Nc2ccc(-c3ccccc3)cc2)c1 6549943 DNIAKWHGLUVKIL-UHFFFAOYSA-N 391.452 3.142 30 40 GGEB COc1ccc(-c2nc([C@@H]3CN(C(=O)C4(C#N)CCCCC4)CCO3)no2)cc1 96000897 VENPDNDRZIGPPM-KRWDZBQOSA-N 396.447 3.119 30 40 GGEB CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]2(C#N)CCC[C@@H](C)C2)cc1Cl 96013459 GFDCFXPEGJDFTF-QLJPJBMISA-N 387.864 3.188 30 40 GGEB CCSc1nc2n(n1)[C@@H](c1cccc(OC)c1OC)C1=C(CCCC1=O)N2 4436218 JCRNHEAWOVUCJQ-INIZCTEOSA-N 386.477 3.429 30 40 GGEB NC(=S)N/N=C/c1cc([N+](=O)[O-])ccc1OCc1cccc2ccccc12 4545040 RVCCMHIIVJFOFL-SRZZPIQSSA-N 380.429 3.494 30 40 GGEB CN(C)c1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 6570679 OJYIVWRSCCSUJK-ONNFQVAWSA-N 381.432 3.394 30 40 GGEB C=CCN1C(=O)c2ccccc2N[C@H]1c1ccccc1OCC(=O)N1CCCC1 8162580 SRRWGBONCZPHBP-JOCHJYFZSA-N 391.471 3.440 30 40 GGEB C=CCn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccn1 17078095 TTYYZBAAXSUUQK-UHFFFAOYSA-N 382.474 3.190 30 40 GGEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc(OC)c1O 18195888 RSGKMRLTZGPSRN-CQSZACIVSA-N 385.420 3.039 30 40 GGEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccc(O)cc2)C1=O 409052177 GMKFYHZNIWXVCR-VBKFSLOCSA-N 395.436 3.254 30 40 GGEB CCN1CCN(c2c(N)cc(C#N)n2Cc2ccc(Cl)cc2Cl)CC1 225869905 PNWQLZLVURTCAU-UHFFFAOYSA-N 378.307 3.439 30 40 GGEB COc1ccc(S(=O)(=O)N(C)c2ccc(CC#N)cc2)cc1Br 224882785 COZSKAZTGOGAQU-UHFFFAOYSA-N 395.278 3.349 30 40 GGEB C[C@@H](c1ccccc1)N1C[C@@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585104790 TWBLZXWLWKVNCN-YADARESESA-N 389.499 3.370 30 40 GGEB N#Cc1ccc(N2C[C@@]3(CCN(C(=O)Cc4cccc(F)c4F)C3)CC2=O)cc1 585101631 ZZMSFUNDZACXGN-QFIPXVFZSA-N 395.409 3.035 30 40 GGEB COc1c(Br)cc(Br)cc1/C=N/n1c(C)nnc1C 865594 NEAMJYBMOALBNZ-GIDUJCDVSA-N 388.063 3.311 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C(=O)NC1=S 208221785 WDQDPLVQKRHQHB-YYTPVVGHSA-N 383.517 3.221 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\C(=O)NC(=S)N=C2O)cc1 2795082 DILBXNZNUPEWPY-UHFFFAOYSA-N 394.368 3.013 30 40 GGEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Br)cc1)C2=O 6850116 ZDQUHLMXRJLHLL-NVNXTCNLSA-N 395.230 3.404 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2ncccc2c1=O 31615263 DRRPMVAWXLWKDD-UHFFFAOYSA-N 380.473 3.325 30 40 GGEB COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 794996 BIDPDUMNLFPJSJ-MAUKXSAKSA-N 383.400 3.046 30 40 GGEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCCC2)cc1 12766275 KQRRDSWTAOGXKE-UHFFFAOYSA-N 396.465 3.106 30 40 GGEB C[C@@H](C(=O)Nc1sccc1C#N)N1CCC(C(=O)N2CCCCCC2)CC1 9051858 HIUSNBONLAMGDR-HNNXBMFYSA-N 388.537 3.061 30 40 GGEB Cc1nnc(/N=C(\O)c2c(O)c3c(n(Cc4ccccc4)c2=O)CCCC3)s1 17027894 ICQIMMSWFSHUMM-UHFFFAOYSA-N 396.472 3.277 30 40 GGEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O 38178381 MQAHOIXDMVCCBL-KEBDBYFISA-N 386.795 3.498 30 40 GGEB N#C[C@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 528928099 MTIPDLDXDQVFEP-TUAOUCFPSA-N 390.262 3.357 30 40 GGEB CN(CC(=O)Nc1cccc(C#N)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 3459168 UFXNOWRGYKMRFT-UHFFFAOYSA-N 398.271 3.124 30 40 GGEB CC(=O)Nc1cccc(-n2c(C)nnc2Sc2ccc([N+](=O)[O-])cc2C#N)c1 12538283 HSRMSPGTZODMTC-UHFFFAOYSA-N 394.416 3.465 30 40 GGEB Cc1[nH]c(C(=O)O[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1C(=O)OC(C)C 7413423 YQNVNEIXWSJODI-AWEZNQCLSA-N 397.431 3.252 30 40 GGEB CC(=O)N1CCN(c2oc(-c3ccc(COc4ccccc4)o3)nc2C#N)CC1 12419023 DNKAVRPDMUQLNY-UHFFFAOYSA-N 392.415 3.054 30 40 GGEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715450 BCYKQAKQLJUPKI-SFHVURJKSA-N 389.452 3.075 30 40 GGEB C=CCn1c(N2CCC(C(=O)NC[C@H]3CCCN3CC)CC2)nc2ccccc21 19527227 RGWJDQDNWMDRMW-LJQANCHMSA-N 395.551 3.039 30 40 GGEB Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C 4492411 IBOXUXKSNZFTBD-UMIVRTMYSA-N 397.456 3.283 30 40 GGEB CCCN1CCCc2cc(CCNC(=O)C(=O)Nc3ccccc3C#N)ccc21 11612998 XXOPRXGMURQFPM-UHFFFAOYSA-N 390.487 3.018 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(F)cc2)C3=O)CC1 22575505 LKSWUIWPOGILPO-MOSHPQCFSA-N 382.435 3.285 30 40 GGEB Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc3c(c2)OCO3)n1 13579595 QBLVXXJQGFGWFK-UHFFFAOYSA-N 398.440 3.207 30 40 GGEB COc1cc2nc(C)n(/N=C/c3c(O)ccc4ccccc34)c(=O)c2cc1OC 1287752 LWDKOIXGJJWQQS-FSJBWODESA-N 389.411 3.463 30 40 GGEB COc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc1 100129384 SXOLPQVKMPFPIO-MAUKXSAKSA-N 390.439 3.171 30 40 GGEB COC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 1889110 KNZDABWXIBPSSL-MSUUIHNZSA-N 382.803 3.003 30 40 GGEB C#CCOc1ccc(CCNC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 58008782 CMCWWAHSQVMJDS-UHFFFAOYSA-N 376.412 3.478 30 40 GGEB Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@H]2c1ccc([N+](=O)[O-])cc1 44974079 NWCABWFYSOZQRB-OAHLLOKOSA-N 380.404 3.187 30 40 GGEB O=C1[C@H](/C(O)=N/O[C@@H]2CCCCO2)CCN1c1cccc(Br)c1 58419252 JSEYYBGFGWITSL-UONOGXRCSA-N 383.242 3.217 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2ccncc2)cc1 102888521 VULFMRKAWZWHHI-GHNGSUTGSA-N 375.384 3.313 30 40 GGEB C=CCNC(=O)[C@H](C)OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 28479564 QFTWYVBGGDEICI-LBPRGKRZSA-N 383.379 3.185 30 40 GGEB C=CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2C)cc1OC 89536952 JBCQQNTUWSEFMS-UHFFFAOYSA-N 383.448 3.052 30 40 GGEB N#Cc1cnn(C(=O)c2ccc(COc3ccccc3Br)cc2)c1N 60470868 WQJQXSJKQJASFW-UHFFFAOYSA-N 397.232 3.367 30 40 GGEB CN(C)/C=C1\S/C(=N\S(=O)(=O)c2ccccc2)N(C2CCCCC2)C1=O 13843602 RVSUBSDJJSFHLD-PIVKVMHHSA-N 393.534 3.042 30 40 GGEB CC1(C)[C@@]2(C(=O)Nc3ccc(F)c(F)c3)CC[C@@]1(C)c1nc(C#N)c(C#N)nc12 100205239 ALMKITXPGWQNIY-SFTDATJTSA-N 393.397 3.466 30 40 GGEB CC[C@@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccccc1 32824677 ULASDQAQTBTPTH-KRWDZBQOSA-N 375.476 3.460 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)[C@H]1c1ccco1 102736479 LCDJTGCXXOBNBJ-LFVOPCPISA-N 393.443 3.134 30 40 GGEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2cc(C)cc(C)c2[nH]c1=O 883094 YFKFDNPLSDUNJK-QGZVFWFLSA-N 375.428 3.475 30 40 GGEB CS/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCN(c2ccccc2)CC1 6590225 YVLFEYXWJKXAGZ-FMQUCBEESA-N 389.546 3.225 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cnccn1 2397653 VQEQSBCULJOTMP-UHFFFAOYSA-N 380.477 3.269 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12878666 GZUUZULNWZQEDN-SJLPKXTDSA-N 377.444 3.203 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 3631503 WXSWVWBOGLUHQR-OMWUSAIZSA-N 397.471 3.171 30 40 GGEB Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)s1 4311706 ZZBRDJWUMKNTGU-QGZVFWFLSA-N 399.516 3.290 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(C)o1 6428317 FFHHLHVHSYFRTK-BFUOFWGJSA-N 397.427 3.136 30 40 GGEB biogenic C[C@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(F)cccc2F)C1=O 6588128 YVBQIBFREZAFTR-DMYCNYMVSA-N 395.312 3.367 30 40 GGEB COc1ccc(N2C(=O)NC(=O)[C@H](/C=N/c3ccc(C)c(Cl)c3)C2=O)cc1 4738588 MZGZINSEWBASEE-LKKXKRCMSA-N 385.807 3.259 30 40 GGEB C=CCNc1nc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)cs1 7843321 MRDMIPYYHWYFAA-UHFFFAOYSA-N 388.518 3.463 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2Cc3ccccc3C2)n1 225924007 NCUVJUNJTSBDOC-UHFFFAOYSA-N 380.521 3.069 30 40 GGEB C=CCn1c(SCC(=O)N(CCC#N)CCC#N)nnc1C1CCCCC1 9456955 YTINAPKPGBVFIZ-UHFFFAOYSA-N 386.525 3.260 30 40 GGEB N#CC1(NC(=O)COC(=O)c2[nH]c3ccccc3c2Br)CCCC1 40106450 FKXWPHDNLFZPPF-UHFFFAOYSA-N 390.237 3.040 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 102497535 BOMZGFJQGLEWHK-WOOAAIBNSA-N 381.428 3.072 30 40 GGEB Cc1cc(C(=O)O[C@H](C)C(=O)N(CCC#N)c2ccccc2)ccc1[N+](=O)[O-] 7532231 QWTQPSMVAACKKM-OAHLLOKOSA-N 381.388 3.395 30 40 GGEB N#CCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1 8126392 QAAZTVTZTVYKKT-UHFFFAOYSA-N 393.468 3.213 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(O)c2)cc1 9058825 QGFWBFHXPDTXPW-VFNWGFHPSA-N 388.427 3.408 30 40 GGEB N#Cc1c(NC(=O)Cn2cnc3ccsc3c2=O)sc2c1CCCCC2 12772712 LVZWKPHGJQBOSQ-UHFFFAOYSA-N 384.486 3.299 30 40 GGEB CCOc1ccccc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408756253 QXAYCMBRDQTIRT-NGZBARDMSA-N 381.457 3.160 30 40 GGEB C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nccs1 6304013 XGTLQBRUVMTCCP-UHFFFAOYSA-N 387.490 3.230 30 40 GGEB CCN(CC(=O)Nc1ccccc1C(F)(F)F)CC(=O)N[C@](C)(C#N)C(C)C 7017568 FLPKUYKHRXUYSZ-GOSISDBHSA-N 398.429 3.020 30 40 GGEB N#Cc1c(N)sc2c1CCN(c1ncnc3c1cnn3-c1ccc(F)cc1)C2 9478583 QUACKCPCSXSJMD-UHFFFAOYSA-N 391.435 3.033 30 40 GGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccc(C(=O)O)cc1)n1ncnc1N2 18196306 GCHSJARTISGIFA-UGSOOPFHSA-N 392.440 3.454 30 40 GGEB COc1cccc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)c1 409408377 QEYMMXMGQPRGJW-SNHGZMDHSA-N 389.455 3.244 30 40 GGEB CCCCCCN(CCN1CCOCC1)C(=O)[C@@H](C)Oc1ccccc1C#N 48343287 CZNGRYUFZFFOCU-LJQANCHMSA-N 387.524 3.067 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCCCC2)cc(N2C[C@@H](C)C[C@@H](C)C2)n1 225924186 QQABZODLWKMQHZ-IYBDPMFKSA-N 388.585 3.422 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(F)cc2)cc1OC 902842 WZBNOOUMTRROPN-HXUWFJFHSA-N 399.418 3.370 30 40 GGEB COc1cc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@@H](C)C3)o2)cc(OC)c1OC 8535492 RJRVVFUHHWBYJG-AGKLADILSA-N 399.447 3.356 30 40 GGEB C#Cc1cccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1 54152482 JWRIXCXAOAAVIJ-UHFFFAOYSA-N 376.456 3.314 30 40 GGEB C=CCNc1nnc(S(=O)(=O)Cc2ccc(OCC(F)(F)F)cc2)s1 58282956 RBTAAWKJFZXAIS-UHFFFAOYSA-N 393.412 3.051 30 40 GGEB C=CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 3470797 XMAAXNARIJCWMN-UHFFFAOYSA-N 385.514 3.458 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)c1 19973843 QQAMYJKVTJVHCI-IBGZPJMESA-N 398.459 3.127 30 40 GGEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccccc3Cl)C2=O)c1 408937354 ODNSHWKSMICOOR-QINSGFPZSA-N 380.787 3.018 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1cccnc1 2703956 DBWBIEWGVQOCOS-SFHVURJKSA-N 378.384 3.053 30 40 GGEB COc1ccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1 794765 UYHGBAROQSLMTQ-UHFFFAOYSA-N 379.372 3.475 30 40 GGEB CN(C)CCCN(CCC#N)C(=O)/C=C/c1cc(Br)ccc1F 58209313 COGLRGSEHOUIBN-VMPITWQZSA-N 382.277 3.295 30 40 GGEB C=CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 20766299 FOMLYMRMHOXOFE-UHFFFAOYSA-N 390.892 3.397 30 40 GGEB CN(C)c1cc(N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)nc(N(C)C)n1 4119305 RGNYILBIRZMIJT-UDWIEESQSA-N 395.423 3.223 30 40 GGEB COc1cc2c(cc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1)O[C@H](C)C2 14183163 YWKDXEVEHJGKCB-JOZWUWCOSA-N 395.455 3.382 30 40 GGEB CC(=O)Nc1ccc(/N=C/c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 4619149 PIPIUXGUHSRUCO-KGENOOAVSA-N 381.436 3.056 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N2CCN(Cc3ccccc3)CC2)n1 17440306 SCZRWQIPLHDASR-UHFFFAOYSA-N 380.517 3.007 30 40 GGEB CCN/C=C(\C(=O)OCC)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl 255189517 QIHPIHQUGYPQAJ-VURMDHGXSA-N 379.171 3.280 30 40 GGEB CCn1cc(-c2cc(C(F)(F)F)nc(N/N=C/c3cnn(CC)c3F)n2)cn1 252487998 IGQZNIYBWKAQRN-AERZKKPOSA-N 396.352 3.180 30 40 GGEB C=CCNC(=S)N/N=C/c1ccc(OC(=O)c2ccc(F)cc2)c(OC)c1 7011453 ODTSHUCRKRTNBK-WSDLNYQXSA-N 387.436 3.038 30 40 GGEB C[C@@H](NC(=O)CSc1sc2c(O)cc(=O)[nH]c2c1C#N)c1ccccc1 4945423 XWPIQNNHGVSKCX-SNVBAGLBSA-N 385.470 3.136 30 40 GGEB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC 12698757 GVTKOTBRZRLTOG-CQSZACIVSA-N 383.448 3.043 30 40 GGEB CCOC(=O)/C(=N\Nc1ccccc1)Sc1nnnn1-c1ccc(C)cc1 13496569 IMVCADNWVXAQDC-CAPFRKAQSA-N 382.449 3.052 30 40 GGEB C/C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccccc1O 4477977 BNWUOEILXNCDQV-PCLIKHOPSA-N 395.511 3.394 30 40 GGEB C#CCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2Br)C1=O 6421463 FOUFOMWYJLGYCH-QPEQYQDCSA-N 382.235 3.136 30 40 GGEB O=C1N[C@@H](c2cccc(F)c2)C(C(=O)c2ccc(Br)cc2)=C1O 5446484 ZUZUNFREFUYVNW-AWEZNQCLSA-N 376.181 3.454 30 40 GGEB O=C(O)CCN1C2=C(C(=O)CCC2)C(c2cccc(O)c2)C2=C1CCCC2=O 409075105 UKUZNEUDRBWXCE-UHFFFAOYSA-N 381.428 3.280 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)N[C@@H](C#N)c3ccc(F)cc3)CC2)c(F)c1 505986162 GJQQYNBSDXJOFD-IBGZPJMESA-N 380.398 3.434 30 40 GGEB C=CCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 224797897 DWZYKOCKQXPDBF-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB N#Cc1ccc(CN2CCC[C@@H](COc3ncc(Br)cn3)C2)cc1 1775995345 PANNANBXNQJJLO-MRXNPFEDSA-N 387.281 3.402 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c(OC)c1 14608173 AEGQQNKWZSCYAN-MPBGBICISA-N 392.415 3.304 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 12276984 UFTNEYPSVAJLBM-WMEZAZGNSA-N 380.535 3.041 30 40 GGEB O=S(=O)(/N=C(/C=N/Nc1ccccc1)NNc1ccccc1)c1ccccc1 27026306 QUXSBEAJYWTESL-LTGZKZEYSA-N 393.472 3.488 30 40 GGEB C=C(Cl)COC(=O)[C@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2C=C[C@H]1C2 100569036 LEWPSHYXLMDCIT-GVAFMPQTSA-N 376.796 3.267 30 40 GGEB C=CCN(CCc1ccccc1)C(=O)[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1 60163637 XDROFMIIVPDDDC-LJQANCHMSA-N 378.472 3.305 30 40 GGEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1ccc(-n2ccnc2)nn1 4135526 CCPZJGZOBXUZAH-SRZZPIQSSA-N 378.827 3.256 30 40 GGEB CN(C)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCCC3=CCCCC3)o2)o1 71288060 RJQHFAVIYQCYCN-UHFFFAOYSA-N 390.465 3.359 30 40 GGEB C[C@@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccc(Cl)c(Cl)c1 7046922 BOOXEFUCLDNLDE-MRVPVSSYSA-N 382.276 3.207 30 40 GGEB COC1=N[C@@]2(O)C[C@@]3(C)[C@@H](CC[C@H]3O)[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]32S1 118936491 WOKYKYYRLSDRHQ-GVZGIGRWSA-N 391.533 3.050 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(C)c1 32508308 GTRPEIYCQGMFAG-YTLYVFJMSA-N 394.562 3.341 30 40 GGEB C=C(Cl)COC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 32667950 OABOSCUAQFVRIE-MRXNPFEDSA-N 397.855 3.011 30 40 GGEB CC1=C/C(=N\NC(N)=S)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 5854552 JFUDBCXCGILAGW-ZRPFTQSCSA-N 377.354 3.024 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)CN1C(=O)COc2ccccc21 18890451 SRTFWRMGWBCDIU-UHFFFAOYSA-N 376.865 3.342 30 40 GGEB C#CCOc1cccc(CN2CC[C@@H](c3cc4nc(C)c(C)c(O)n4n3)C2)c1 12255378 GUGBMMYTXXYNCN-GOSISDBHSA-N 376.460 3.053 30 40 GGEB CCOC(=O)c1cn(C(C)C)c2cc(B3OC(C)(C)C(C)(C)O3)ccc2c1=O 169979385 MIDAFLJKDMSYAI-UHFFFAOYSA-N 385.269 3.058 30 40 GGEB NC(=O)c1ccc(N/N=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 100507792 AIPDKLNTSNMWKE-QQTULTPQSA-N 383.411 3.005 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(F)cc1F 809346 YUNQXILFSVYMCG-OAHLLOKOSA-N 377.387 3.455 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)CC)c1ccccc1F 4965249 VMCQLPOSPDQXLC-MRXNPFEDSA-N 390.484 3.352 30 40 GGEB N#CC1(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)CCCCC1 8275283 HCSGXWXRVGNUOL-GOSISDBHSA-N 383.492 3.327 30 40 GGEB c1ccc(N/N=C(/COc2nsnc2N2CCOCC2)c2ccccc2)cc1 12136880 NHNQIPFNHDRYRD-PYCFMQQDSA-N 395.488 3.270 30 40 GGEB COc1ccc(Br)cc1-c1nc(Cn2cnc(C#N)n2)cs1 14143764 JUILPTNLGWICDW-UHFFFAOYSA-N 376.239 3.093 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2cccs2)cc1 1775979083 ZHPBSHGCKSKXOY-SFHVURJKSA-N 391.452 3.075 30 40 GGEB CCOC1(OCC)[C@H](C#Cc2ccccc2)C(C#N)(C#N)C1(OCC)OCC 721521 OKAZPZNWXMJPRK-LJQANCHMSA-N 382.460 3.240 30 40 GGEB CC(C)(C)[C@H](C#N)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 79022877 QIYLDFBRPOJWRG-AWEZNQCLSA-N 377.491 3.217 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1 102874381 RXFPIETYVHYVGY-GROYHEBESA-N 399.516 3.052 30 40 GGEB N#Cc1c(F)cccc1N1CCN(C(=O)c2cccc(OC(F)F)c2)CC1 24209154 YCIKPJZXHDLOPW-UHFFFAOYSA-N 375.350 3.261 30 40 GGEB CC(C)N1C(=O)/C(=N\n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 3305135 BBBDSOBJWKWNJD-NKFKGCMQSA-N 392.484 3.344 30 40 GGEB N#Cc1ccc(C(=O)O[C@@H]2CCCCN(C(=O)c3ccc(F)cc3)C2=O)cc1 16208367 VQPUFZBZUZBCFG-GOSISDBHSA-N 380.375 3.076 30 40 GGEB N#CCCN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)c1ccccc1 5317736 BBYSILQJZXCZQZ-UHFFFAOYSA-N 383.757 3.467 30 40 GGEB N#CC(CC(=O)N1CCCC1)(CC(=O)N1CCCC1)c1nc2ccccc2s1 2615987 ODBIBBJNGGSYAR-UHFFFAOYSA-N 396.516 3.083 30 40 GGEB CN(C)c1ccc(/C=N\C[C@@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 103708572 RAMXIBOZPYXAMC-GEUHTFEZSA-N 394.544 3.470 30 40 GGEB COc1ccccc1CNC(=O)CSc1nc2ccccc2n1CCC#N 7735502 PMJVHDKAOCKJSN-UHFFFAOYSA-N 380.473 3.367 30 40 GGEB C=CCOc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OCC 59272232 QRVKHEYURAURIO-UYRXBGFRSA-N 378.453 3.420 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccncc2)cc1 6275839 JGKKDCUBOCWJET-SFHVURJKSA-N 391.383 3.170 30 40 GGEB CC1(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)CCCC1 95946841 YLKWTOVWBJFETN-UHFFFAOYSA-N 377.510 3.456 30 40 GGEB C=CCn1c(CCCC)nnc1SCC(=O)Nc1ccc(C(=O)OC)cc1 408560483 JBPMDLSWPNKDRN-UHFFFAOYSA-N 388.493 3.324 30 40 GGEB C=CCOc1cccc(NC(=O)CCCN(C)S(=O)(=O)c2ccccc2)c1 219718497 UIPODPRYDUSPAE-UHFFFAOYSA-N 388.489 3.291 30 40 GGEB Cc1c(NC(=S)N/N=C\c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 5214235 SWNQXTUFJSILNR-MTJSOVHGSA-N 399.907 3.458 30 40 GGEB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)OC(=O)c1ccc(NC(=O)CC#N)cc1 5813035 PHKMEVGFFALZSE-LSDHHAIUSA-N 391.427 3.062 30 40 GGEB CCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccco2)c2cc(Br)ccc21 4555020 XSAHDRPUTVTXEY-IPLHWJFFSA-N 390.233 3.269 30 40 GGEB C#CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cccc(OCC)c21 100910418 DJJXMLKJJOERNT-DQRAZIAOSA-N 396.468 3.493 30 40 GGEB CC1(C)Cc2c(C#N)c(OCc3ccccc3)nc(N3CCOCC3)c2CO1 40283494 BXCLWOJLLIWOEX-UHFFFAOYSA-N 379.460 3.220 30 40 GGEB C/C(=N\OCC(=O)Nc1ccc2c(c1)OCCCO2)c1ccc2c(c1)CCO2 98055582 BIJKAMPWLOPXPU-OEAKJJBVSA-N 382.416 3.162 30 40 GGEB Cc1cccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)c1C 256049326 ZJACZAQOBAOEND-UHFFFAOYSA-N 376.439 3.222 30 40 GGEB Fc1ccc(/C=N\Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 30293444 VRGDZORKXBPUSY-HMAPJEAMSA-N 393.426 3.037 30 40 GGEB C=CCn1c(Cc2csc(NC(=O)c3ccc[nH]c3=S)n2)n[nH]c1=S 30689152 JHJTWMUXTCWMPK-UHFFFAOYSA-N 390.519 3.484 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1 32093052 DSQCHWIUNKLEIT-HXUWFJFHSA-N 380.444 3.325 30 40 GGEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)[C@@H]2c2ccccc2F)cc1 102856866 GSYRCFFVCOLRAU-LFVOPCPISA-N 399.418 3.293 30 40 GGEB Cc1ccc(-n2c(SCC(=O)N(C)CCC#N)nnc2N2CCCCC2)cc1 7104739 YQCAHNJYDAQDQK-UHFFFAOYSA-N 398.536 3.030 30 40 GGEB C=CCn1c(SCC(=O)N(CC)CC)nc2sc3c(c2c1=O)CCCC3 1250588 VAMBOSDCOQPHMZ-UHFFFAOYSA-N 391.562 3.483 30 40 GGEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nccn2C)cc1 12627504 UANMJIJSMKLUHE-UHFFFAOYSA-N 395.488 3.439 30 40 GGEB Cc1cc(C)n2nc(CCCNC(=O)[C@@H](C)Sc3ccccc3)c(C#N)c2n1 48236096 GNMRGMAUESLCQH-MRXNPFEDSA-N 393.516 3.447 30 40 GGEB COc1ccc(NC(=O)C[n+]2cc(-c3ccc(C)cc3)n3c2CCC3)c(OC)c1 13777238 YPMPISVGPJURJS-UHFFFAOYSA-O 392.479 3.353 30 40 GGEB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1cccc(C#N)c1 4315042 KJWQRLDDBKOUQY-LLVKDONJSA-N 398.879 3.303 30 40 GGEB CCc1ccc(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 222642129 VBKRNPIGLQWABL-UHFFFAOYSA-N 399.516 3.500 30 40 GGEB C=CCN/C(S)=C(\C(=O)c1ccccc1Br)[n+]1ccccc1 12656357 SQWNPVOMGNWSEN-UHFFFAOYSA-O 376.299 3.451 30 40 GGEB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(F)ccc1F)c1nc(C#N)c(C#N)nc12 100198426 IXNINCSFCLVGNR-NHCUHLMSSA-N 393.397 3.466 30 40 GGEB N#Cc1cccnc1N1CCN([C@H](C(=O)O)c2c[nH]c3cc(Cl)ccc23)CC1 32104402 QEGVHNMANGSXTA-SFHVURJKSA-N 395.850 3.036 30 40 GGEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCN(Cc2ccccc2)CC1 54061435 PUAGSVRMQQRAGW-UHFFFAOYSA-N 389.415 3.444 30 40 GGEB C=CCN(CC=C)C(=O)CSc1nc2ncccc2c(=O)n1-c1ccccc1 14084071 NNBYCSJAVOBRBY-UHFFFAOYSA-N 392.484 3.073 30 40 GGEB COc1cc(-c2c(-c3ccc(C)cc3)c[nH]c(=N)c2C#N)ccc1OCC(=O)O 408987308 WESBZLXHGJQDEJ-UHFFFAOYSA-N 389.411 3.480 30 40 GGEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc(F)cc1 409404633 DZXGBMGERHMYGN-HZVDNRATSA-N 377.419 3.374 30 40 GGEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2cn(C)cn2)n1 585294419 QZFHRPYCBBJHNF-FQEVSTJZSA-N 388.479 3.256 30 40 GGEB N#CCc1cccc2c1CCN(C(=O)Nc1ccc(F)cc1N1CCOCC1)C2 599796650 VIPXNRKMAVDRAR-UHFFFAOYSA-N 394.450 3.319 30 40 GGEB COc1cc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)cc(OC)c1OC 12877556 ZCBKJSGWKBYYDA-IDUWFGFVSA-N 384.384 3.296 30 40 GGEB biogenic CCCOC(=O)c1cccc(N2CC(=O)C(c3nc4ccc(C)cc4[nH]3)=C2N)c1 5182914 PJLYLZXGYLXPRS-UHFFFAOYSA-N 390.443 3.155 30 40 GGEB N#Cc1nc(-c2ccccc2F)oc1N1CCN(C(=O)c2ccccc2F)CC1 6661800 DEPYPVZGOGHBBQ-UHFFFAOYSA-N 394.381 3.454 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1C=Nc1ccccc1 408530404 FGNJSQXFAQJCEA-CQSZACIVSA-N 375.306 3.307 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 852712 IODAQPOKPQCAQF-YCIYHOANSA-N 379.415 3.436 30 40 GGEB biogenic C=CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cccc(OC)c21 100909799 PCHUXFVHFOCGPU-JHBCHSCWSA-N 382.441 3.165 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@@H](c2ccccc2F)/C1=C(\O)c1cccs1 104173590 APFVSGNJGVJFPB-REQDGWNSSA-N 387.417 3.365 30 40 GGEB Cc1ccc(C(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)c(C)c1 31778687 WPCNOYNNGSSHJT-UHFFFAOYSA-N 391.450 3.445 30 40 GGEB CCCCc1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)cc1 101649263 AHULCICUSWBQSI-OEAKJJBVSA-N 393.443 3.333 30 40 GGEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2ccccc2OC)C1=O 101662459 RBQYWZCRRFYWCB-FQEVSTJZSA-N 375.469 3.305 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1 3258056 IGDTWYDXVBDBKC-UHFFFAOYSA-N 375.384 3.099 30 40 GGEB C#CCN1CCCC[C@@H]1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 72273211 LVQCUOHLOZTCIT-LJQANCHMSA-N 394.544 3.128 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccco2)cc1 5489207 BTYOYAJXPIMDRT-QFBILLFUSA-N 397.427 3.436 30 40 GGEB Cc1cc(C(=O)CN2CCN(Cc3ccc(C#N)cc3)CC2)c(C)n1C1CC1 95939066 BESCUYBFAFACBK-UHFFFAOYSA-N 376.504 3.312 30 40 GGEB Oc1nc(=N/N=C/c2ccc3c(c2)OCO3)n(-c2ccccc2)c2ccccc12 408731495 LCRABXDLMQIAIJ-YDZHTSKRSA-N 384.395 3.395 30 40 GGEB C=CCn1c(N2CCC(C(=O)Nc3nnc(C)s3)CC2)nc2ccccc21 72347668 OYKFJUVNIBIFQP-UHFFFAOYSA-N 382.493 3.237 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224657338 GKGYVMGCKNCNQJ-UHFFFAOYSA-N 375.446 3.172 30 40 GGEB Cc1cccn2c(=O)c(/C=N/Cc3cccnc3)c(NCc3cccnc3)nc12 5337900 BFDSFCLKNHAUSB-MFKUBSTISA-N 384.443 3.024 30 40 GGEB CN1CCc2c(C#N)c(SCc3ccccc3)nc(N3CCOCC3)c2C1 20648736 PVIWHHQOWUIETQ-UHFFFAOYSA-N 380.517 3.070 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1ccc(I)cc1 102986748 IEQYMMPQZUOVJE-UKTHLTGXSA-N 391.164 3.389 30 40 GGEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCC(C(N)=O)CC1 2343710 VDSVHARFFMSZNS-UHFFFAOYSA-N 395.246 3.134 30 40 GGEB CC/N=C1/S[C@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1CC 18180180 MRWWXWIFMVLVBF-OPGVCCBYSA-N 384.299 3.118 30 40 GGEB C=CCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc21 6658764 VLYLGNJPZPHKMH-IBGZPJMESA-N 386.791 3.241 30 40 GGEB N#Cc1oc2ccccc2c1NC(=O)CSc1nnnn1Cc1ccccc1 9049503 AGCNPYQWDRTLOC-UHFFFAOYSA-N 390.428 3.070 30 40 GGEB C[C@@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N 7551762 GZYNENFGZNSDCX-ZWNOBZJWSA-N 390.848 3.395 30 40 GGEB O=C(COc1ccccc1/C=N/Nc1ncccc1[N+](=O)[O-])Nc1ccccc1 409104112 DQWRFDGVXBSCPZ-LPYMAVHISA-N 391.387 3.453 30 40 GGEB O=C(O)c1cc(/N=C\c2cc([N+](=O)[O-])cc(Br)c2O)ccc1O 409069709 VLWYMQLRWJIBJF-SOFYXZRVSA-N 381.138 3.217 30 40 GGEB CC(C)c1ccc([C@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@@H]2C#N)cc1 19961553 LNPMKJBKZVCXDH-IAGOWNOFSA-N 391.475 3.107 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 5799635 INDHTQWGQOMIFM-AUUYWEPGSA-N 381.428 3.044 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@@H](c2ccc(C)cc2)N2NN=NC2=N1 2486359 GUJFVRBHTFWBBQ-GOSISDBHSA-N 389.415 3.212 30 40 GGEB COc1cccc(Nc2nnc(SCC(=O)NC3(C#N)CCCC3)s2)c1 4503553 GLJDTXLTJCNPPU-UHFFFAOYSA-N 389.506 3.335 30 40 GGEB COc1ccc2cc(/C=C/C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)ccc2c1 6654595 YDJLQQUVVLQFPJ-FLVSMNSFSA-N 380.444 3.459 30 40 GGEB CCCN(CC1CC1)C(=O)CSc1nc(C)c(C(=O)OCC)cc1C#N 8776642 VXQUKPNPUNMZRI-UHFFFAOYSA-N 375.494 3.179 30 40 GGEB CN(CCC#N)c1ccc(CNCc2ccccc2CN2CCOCC2)cc1 12567114 APSNTZKHOOXJOI-UHFFFAOYSA-N 378.520 3.158 30 40 GGEB C=C(C)COc1ccc2c(C)c(CCC(=O)N3CCC(=O)CC3)c(=O)oc2c1 12893452 BKSSIEQBOUOHKV-UHFFFAOYSA-N 383.444 3.180 30 40 GGEB biogenic COc1cc(C#N)ccc1OCCCC(=O)NC1(c2noc(C)n2)CCCCC1 40132305 LPFDYSCUSXXELJ-UHFFFAOYSA-N 398.463 3.393 30 40 GGEB C=CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C2CCCCC2)cc1 56140017 WXJGNZTUOMCKFH-SFHVURJKSA-N 397.562 3.098 30 40 GGEB C#CCn1cnc2c(NC(=O)COc3ccccc3Cc3ccccc3)ncnc21 72275017 UWKSXFDBYUEUNF-UHFFFAOYSA-N 397.438 3.068 30 40 GGEB CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]2(C#N)CCC[C@@H](C)C2)cc1Cl 96013461 GFDCFXPEGJDFTF-HWPZZCPQSA-N 387.864 3.188 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)cc1 102861628 BOFMYSDDYPHTKG-LFVOPCPISA-N 382.460 3.270 30 40 GGEB COc1cc2c(cc1OC)/C(=N/Nc1ccc(Br)cc1)C(=O)N2 223736495 XXVDXMOUTRPAMI-UHFFFAOYSA-N 376.210 3.235 30 40 GGEB C=CCN1CCN(C(=O)C2CCC2)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 257247757 JAHZCVUYXOZZLM-QFIPXVFZSA-N 389.499 3.317 30 40 GGEB C[N@@+]1(CC(=O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](O)c1ccccc1)C2 261506652 REFUXNZBPJQVLU-CMQAHMCDSA-N 394.491 3.286 30 40 GGEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1/C=N/c1ccc(F)cc1 408744436 ZUQWOYUFAZRNPT-IEEVUCOHSA-N 375.812 3.246 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1OC 409244693 HICSTZGSAXESFV-GZTJUZNOSA-N 396.830 3.454 30 40 GGEB Cn1c([C@H](C#N)c2cnn(-c3ccccc3)c(=O)c2Cl)nc2ccccc21 25337585 XZFRPICNQVLFKO-CQSZACIVSA-N 375.819 3.428 30 40 GGEB C=CCNC(=O)NC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 6032863 ZLEIZNMHXKFPLS-UHFFFAOYSA-N 380.473 3.438 30 40 GGEB CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCC2 6350862 ZQFYBPBXFIXADM-UHFFFAOYSA-N 385.445 3.088 30 40 GGEB C/C(=N\N=C1\NC(=O)C[C@@H](C(=O)Nc2ccc(F)cc2)S1)c1cccs1 5910207 DCUXHKDKADFBPH-MNUWJXFPSA-N 390.465 3.228 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(CC)cc3)c2C)C(=O)NC1=S 408903631 VATGGNPNXVRTML-CPNJWEJPSA-N 393.512 3.469 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 409131671 YPSYYZIJGAJXKT-UHFFFAOYSA-N 385.445 3.383 30 40 GGEB COc1cc([N+](=O)[O-])ccc1N/C=C/C(=O)c1cc(OC)c(OC)c(OC)c1 409188214 BTLKVPDTCJOUMH-BQYQJAHWSA-N 388.376 3.438 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 32639507 BKSYMCVWZRHLAG-KRGDBVFUSA-N 386.926 3.132 30 40 GGEB C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc(-c2cccnc2)no1 55891646 ADRJADUIPXMMBO-UHFFFAOYSA-N 378.432 3.288 30 40 GGEB N#Cc1cnc(N2CC[C@H](Oc3ccncc3Br)C2)c(Cl)c1 1776009198 XNJBNMFCINYIFZ-NSHDSACASA-N 379.645 3.422 30 40 GGEB CCCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)c1 20262874 MZEPEVPXVZUAPS-LJQANCHMSA-N 398.459 3.208 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@@H](c2cccc(Cl)c2)/C1=C(\O)c1ccco1 102515715 YPBISIYWCOLQAS-IDTYTIONSA-N 381.775 3.349 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795045 QPCLOHNBOQLQPF-VQIMIIECSA-N 397.427 3.436 30 40 GGEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@]54C(C)=O)[C@@H]3C[C@H]3O[C@@]32C1 118936534 WACCZLHLEKNLBI-BEUBWUTRSA-N 388.504 3.429 30 40 GGEB COc1ccc(/N=C2/S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1 61958046 XTZWMAPAKWTAHT-QKDOTCOFSA-N 387.436 3.424 30 40 GGEB CCOc1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1 408759318 CCOLVXBVUACYSR-RHLNUJDMSA-N 381.457 3.160 30 40 GGEB N#CC1(NC(=O)CSc2nnc(Nc3ccccc3F)s2)CCCC1 13137775 DCHJGSPIZRHBQK-UHFFFAOYSA-N 377.470 3.465 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCc3ccc4c(c3)OCO4)C(=O)O[C@@H]1C2 4086371 SUPCUEQUOHUVAQ-ZTIFZBJVSA-N 399.487 3.032 30 40 GGEB biogenic C=C(C)COc1ccc2c(C)c(CCC(=O)NCCCN(C)C)c(=O)oc2c1 13629081 RIUSIRHTQFBHJU-UHFFFAOYSA-N 386.492 3.057 30 40 GGEB C=CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408799967 MDLRFKQJHFEVOV-SFQUDFHCSA-N 392.411 3.235 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)/N=C(\N)Nc2nc3ccccc3[nH]2)cc1OC 6651103 OKGLOVLDKKZDCO-PKNBQFBNSA-N 391.431 3.103 30 40 GGEB COc1cc(Br)c(CSc2ncc(C#N)c(N)n2)cc1OC 7371880 YGIMJBBOPBDVOV-UHFFFAOYSA-N 381.255 3.002 30 40 GGEB Cc1cccc(N(Cc2ccccc2)C(=O)Cn2nc(C)c(C)c(C#N)c2=O)c1 7384872 RHCNCUAEWNWWGT-UHFFFAOYSA-N 386.455 3.274 30 40 GGEB C/C(=N\Nc1ccc(C(=O)O)cc1)c1ccc(OCC(=O)N2CCCC2)cc1 7890484 SCHPKVQHLHAMLU-PXLXIMEGSA-N 381.432 3.222 30 40 GGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)CC[C@@H](C)O)c2)c1 72309840 NOIIUCIFBGWAOI-MRXNPFEDSA-N 380.444 3.108 30 40 GGEB CSc1ccc(/C=N/N=c2[nH]c3nonc3nc2N[C@H]2C=CC(F)=CC2)cc1 408735196 LVXOCBCDXKUVBT-NPNVKNKFSA-N 397.439 3.196 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1OCC 408807162 GKYJHYXUZKSXNU-GHRIWEEISA-N 392.411 3.317 30 40 GGEB COc1cc(/C=C/c2nc(C(=O)O)ccc2C#N)cc(OC)c1OC(F)F 31732840 UFBGWRVVNGKUAQ-HWKANZROSA-N 376.315 3.440 30 40 GGEB N#Cc1cc(N)ccc1N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 70462121 WTKZJZXVVCLRGY-UHFFFAOYSA-N 375.259 3.410 30 40 GGEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(OC)c(F)c1 225101152 SIAKLLOJWWDFEE-UHFFFAOYSA-N 393.436 3.392 30 40 GGEB CSc1ccccc1NC(=O)CN(C)[C@H](C)C(=O)Nc1cccc(C#N)c1 3407546 NNVYMIMYKIZZHQ-CQSZACIVSA-N 382.489 3.178 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccco1 85409861 KPNDBNLNLSHMHB-CQSZACIVSA-N 397.368 3.427 30 40 GGEB Cc1cc(C)cc(OCCN(C)C(=O)C2CCN(c3ccc(C#N)cn3)CC2)c1 32882006 TWEUQMIZKUPRID-UHFFFAOYSA-N 392.503 3.324 30 40 GGEB CCc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)cc1 3634051 DLTWJVSYTSBWLL-GOSISDBHSA-N 389.415 3.157 30 40 GGEB COc1c(Cl)cc(C(=O)NS(=O)(=O)Cc2ccccc2C#N)cc1Cl 42307678 RCMFPLKHXTWEEH-UHFFFAOYSA-N 399.255 3.133 30 40 GGEB N#Cc1c(N)n(CCNC(=S)Nc2ccccc2)c2nc3ccccc3nc12 2310825 XABXPDZUZBHLEL-UHFFFAOYSA-N 387.472 3.025 30 40 GGEB Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)N(C)CCC#N)cc1 3306170 WQSMWZXTRXJOGS-UHFFFAOYSA-N 389.502 3.170 30 40 GGEB CC[C@]1(C)NC(=O)N(/N=C/c2ccc(OC)c(OCc3ccccc3)c2)C1=O 3305774 CPVKZZUMCUFXSV-UKKLRFBMSA-N 381.432 3.329 30 40 GGEB C=CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1ccccc1 3543120 OLLIUMWRXOMPSY-UHFFFAOYSA-N 381.486 3.493 30 40 GGEB N#Cc1ccc(CSCC(=O)NCc2ccc(Cn3ccnc3)cc2)cc1 49309502 QRMCWZHJQPRBME-UHFFFAOYSA-N 376.485 3.353 30 40 GGEB COc1ccccc1CCC(=O)OCC(=O)Nc1sc2c(c1C#N)CCC2 7429262 LNIKHUUOJXVIBY-UHFFFAOYSA-N 384.457 3.232 30 40 GGEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 69284314 ZLTZJYRVUSXMTA-JGVFFNPUSA-N 388.294 3.284 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2ccncc2)cc1 17887088 UVLJODQGYJOOCO-SFHVURJKSA-N 375.384 3.469 30 40 GGEB O=C(O)COc1ccccc1C=Nn1c(-c2ccccc2)nc2ccccc2c1=O 409405856 WEZKLXRADQDTQQ-UHFFFAOYSA-N 399.406 3.409 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccc(C)cc2)nnc1-c1cnn(CC)c1 36631370 GLIUTKGFAOGLTA-UHFFFAOYSA-N 396.520 3.064 30 40 GGEB N#Cc1ccnc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c1 521529277 APWBAHNTAYCNBV-UHFFFAOYSA-N 375.354 3.222 30 40 GGEB CCOC(=O)[C@H](C#N)[C@@H](c1cc(Cl)cc(Cl)c1O)[C@H](C#N)C(=O)OCC 239297309 FAJBVOHIEOVGDX-DABQJJPHSA-N 399.230 3.188 30 40 GGEB C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 97699044 WZLAWYAXYNCFPX-VQIMIIECSA-N 391.471 3.151 30 40 GGEB CO[C@H](Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2)C1CCCC1 596315080 AWABPAGWEMUBGJ-HSZRJFAPSA-N 391.515 3.483 30 40 GGEB N#Cc1cccnc1N1CCC(Cn2nc(-c3ccc(F)cc3)ccc2=O)CC1 1775973121 IDNVKOFKKBWKIP-UHFFFAOYSA-N 389.434 3.233 30 40 GGEB C=CCN1CCC[C@]2(CC1)CN(C(=O)C1CCOCC1)Cc1ccccc1O2 12365594 ZQSJPUZQBAFWGU-QHCPKHFHSA-N 384.520 3.245 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccccn1 102730233 NMTJQBILLRRDND-WOOAAIBNSA-N 397.475 3.137 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(OCc2ccccc2)c1 5312510 ZQTCSSNGCVGUQR-JOCHJYFZSA-N 380.444 3.477 30 40 GGEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc(OC(C)C)cc1 7942468 HLZMQWDQPNQOSS-XMHGGMMESA-N 391.449 3.393 30 40 GGEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)cc1OCC 14020264 HUOLRAPDLBSRRG-VMPITWQZSA-N 397.427 3.225 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c(OC)c1 14608174 AEGQQNKWZSCYAN-ODXCJYRJSA-N 392.415 3.304 30 40 GGEB COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccco2)c(C#N)c(=O)[nH]1 31773922 UZVYZGOTZPACPE-NSHDSACASA-N 396.428 3.029 30 40 GGEB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)o1 55742297 STIKINJFGCPPFO-APWZRJJASA-N 378.476 3.341 30 40 GGEB C=CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1 222991494 YIHAIZGOXVNDQH-SFHVURJKSA-N 380.488 3.347 30 40 GGEB C[C@@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(C#N)cc3)CCCC2)s1 225684633 KQDHUSFEQQLQIP-CQSZACIVSA-N 390.530 3.463 30 40 GGEB N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCNC2 528717006 XMEBSLCOTUMCSO-VQTJNVASSA-N 376.460 3.472 30 40 GGEB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)/C(O)=N/c1ncn[nH]1 23141620 POPWOFJIFWEZIJ-UHFFFAOYSA-N 378.314 3.097 30 40 GGEB Oc1ccc(Cl)cc1/C=N\NC(=S)N/N=C\c1cc(Cl)ccc1O 104388445 DJCOGVNAADFKNZ-DZWUWFSDSA-N 383.260 3.237 30 40 GGEB O=C1Nc2c(Cl)cc(Cl)cc2/C1=N\N1CCN(Cc2ccccc2)CC1 21487213 ZSXCCNPSKDUKSG-UHFFFAOYSA-N 389.286 3.467 30 40 GGEB O=C(/C=N/OCC(=O)Nc1cccc2ccccc12)Nc1ccc([N+](=O)[O-])cc1 6345312 DKPDUYNSGALWOA-CIAFOILYSA-N 392.371 3.328 30 40 GGEB CN(C)c1ccc(/C=N/Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1 4549373 JPHYJNSVEVTAFC-CJLVFECKSA-N 379.512 3.189 30 40 GGEB N#Cc1ccsc1NC(=O)Cn1c(-c2cccc3ccccc23)noc1=O 96010112 YYJAUXLUIPDZFH-UHFFFAOYSA-N 376.397 3.228 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8039975 SAPFNTQYNCLHOT-QGZVFWFLSA-N 384.457 3.245 30 40 GGEB COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)ccc1OCc1ccccc1C#N 409042893 LGPRWKYRNOQEGK-YVLHZVERSA-N 393.468 3.175 30 40 GGEB N#Cc1ccc2c(c1)N(C(=O)c1cn(-c3ccccc3C(F)(F)F)nn1)CC2 550523876 WPGTXTVZAONDPW-UHFFFAOYSA-N 383.333 3.361 30 40 GGEB COc1ccc(-c2noc(CNC(=S)Nc3ccc(CC#N)cc3)n2)cc1 225823757 LPJPTAWRIOLVLZ-UHFFFAOYSA-N 379.445 3.298 30 40 GGEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 12860362 QLDYRDVFZLUHJC-JMIUGGIZSA-N 396.395 3.428 30 40 GGEB biogenic CN(C)c1ccc(/C=N/Nc2nc3nonc3nc2Nc2ccc(F)cc2)cc1 4117090 XPBYGEMOCYWGRW-SRZZPIQSSA-N 392.398 3.408 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccccc2)cc1OC 902765 UATLWIPBDXXHME-HXUWFJFHSA-N 381.428 3.231 30 40 GGEB CCCCCn1c(N/N=C(/CCC)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C 4750469 LQSSGJRDDZEYJY-JLPGSUDCSA-N 396.495 3.230 30 40 GGEB C/C(=N\Nc1nc2ccccc2c(=O)n1C)c1cc(Br)ccc1O 105254638 UDOPSFZHPQXSDT-KEBDBYFISA-N 387.237 3.238 30 40 GGEB COc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 107955226 GESKOBHGLSHQMZ-UWVJOHFNSA-N 397.200 3.422 30 40 GGEB COc1ccc(CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@@H]32)cc1 105381999 RWBIPIUHWVWIJW-SXRPXPHNSA-N 399.531 3.353 30 40 GGEB biogenic C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CNCc4ccc5c(c4)OCO5)[C@H]3[C@@H]3O[C@@]132 12659855 JMJAYLXLEBJBLC-SBLIQGRLSA-N 399.487 3.030 30 40 GGEB biogenic COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@H]1c1ccccc1 102856502 VKMZLHOYMHLTLI-LFVOPCPISA-N 381.428 3.072 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccc(F)cc2)nnc1-c1ccncc1 6786453 RGPOELIFDFMEFQ-UHFFFAOYSA-N 383.452 3.074 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccco2)S/C1=N\S(=O)(=O)c1cccs1 7159964 RGELXDHTTCFAGB-INAKOEGISA-N 380.472 3.188 30 40 GGEB COC(=O)c1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 20060648 BSFSSYRPEVKOCG-LPYMAVHISA-N 395.440 3.420 30 40 GGEB Cn1cnc2cc(N3CC(=O)C(c4nc(-c5ccccc5)cs4)=C3N)ccc21 604419527 ISSCLESSQKRSBA-UHFFFAOYSA-N 387.468 3.413 30 40 GGEB Oc1ccc(Cl)cc1/C=N\N1CCN(/N=C/c2cc(Cl)ccc2O)CC1 17422599 YLVBILUZOVUXKN-ZCJKAFFOSA-N 393.274 3.390 30 40 GGEB Cc1ccnc(NS(=O)(=O)c2ccc(/N=C/c3ccc(N(C)C)cc3)cc2)n1 18009309 BWHIFBQQCGSMIK-HYARGMPZSA-N 395.488 3.402 30 40 GGEB N#Cc1cnc(N2CCC(c3nnc4ccc(C5CC5)nn34)CC2)c(Cl)c1 1888900851 VBGIUBAWIBAFKU-UHFFFAOYSA-N 379.855 3.306 30 40 GGEB COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccccc2F)CC(=O)N1C 849321 DYFUJIABGIRPTN-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB COc1ccc([C@H](C)NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)cc1F 24909654 JEYOFDCVNICOOI-LBPRGKRZSA-N 395.438 3.176 30 40 GGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N(C)CC[C@H](C)O)c2)c1 72309839 NOIIUCIFBGWAOI-INIZCTEOSA-N 380.444 3.108 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C/c2ccccc2OC(F)F)nc1 6832187 YVOZWRXKBGRPOV-SRZZPIQSSA-N 398.435 3.160 30 40 GGEB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2c(C#N)c(C)nn2-c2ccccc2)C1=O 15520036 KEAIGUGAUJPMSR-QHCPKHFHSA-N 399.454 3.410 30 40 GGEB C=CCOc1ccc(Br)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 409400129 PAYHPICKRCBDPD-VBKFSLOCSA-N 399.244 3.475 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1 19973850 UACBWNADNYWJEV-LJQANCHMSA-N 398.459 3.208 30 40 GGEB Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 408965199 HGEFNDCRVQNPGR-MTJSOVHGSA-N 398.444 3.400 30 40 GGEB N#CCC[Sn](Br)(Br)CCC#N 195778041 AYIJMUNREONYRC-UHFFFAOYSA-L 386.663 3.046 30 40 GGEB COc1ccc(NC(=O)[C@](C)(C#N)c2ccc(Cl)cc2)cc1C(=O)N(C)C 225961137 FYYVURMCRTXFFJ-HXUWFJFHSA-N 385.851 3.470 30 40 GGEB C=CCNC(=O)c1c(N)n(/N=C/c2ccccc2C)c2nc3ccccc3nc12 2382149 VURHQADUOOCRRS-DHRITJCHSA-N 384.443 3.273 30 40 GGEB Fc1ccc(N/N=C/Cc2nnnn2-c2ccc(Br)cc2)cc1 5944839 YMHBXTOKKCSSQY-VCHYOVAHSA-N 375.205 3.204 30 40 GGEB N#Cc1cnc(N2CCC(N3CC(=O)N(c4ccccc4)C3=O)CC2)c(Cl)c1 2298054308 OYGRBAOGHRJBFQ-UHFFFAOYSA-N 395.850 3.044 30 40 GGEB COc1ccccc1NC(=O)[C@@H](C#N)Cc1cc2c(C)cc(C)cc2[nH]c1=O 883097 FOFGYVHWEFCLRT-MRXNPFEDSA-N 375.428 3.475 30 40 GGEB NC(=O)/C(=N/OC(=O)c1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 3180657 LAHUBGHTMQOVJB-MOSHPQCFSA-N 375.793 3.103 30 40 GGEB N#Cc1cccc(NC(=O)CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 3602532 DAGMWUQTVAYXHA-UHFFFAOYSA-N 380.385 3.068 30 40 GGEB C=CCn1c(SCC(=O)NC2CCCC2)nc2c([nH]c3ccccc32)c1=O 5106769 IGWRBJBZPHVZMJ-UHFFFAOYSA-N 382.489 3.215 30 40 GGEB Cc1nc(Cc2nnc(SCC(=O)Nc3sccc3C#N)o2)cs1 5832930 GTOYQKIDRXTUQP-UHFFFAOYSA-N 377.476 3.089 30 40 GGEB CC1(C)Cc2c(C#N)c(OCC(=O)N3CCCC3)nc(-c3ccco3)c2CO1 12324224 HAKOXYXVTOTEPV-UHFFFAOYSA-N 381.432 3.066 30 40 GGEB CSc1nc(NC(=O)C/C=N\OCc2ccc(Cl)cc2Cl)nn1C 12955776 GEWSSOYKRUZSHB-FMQZQXMHSA-N 388.280 3.375 30 40 GGEB Cc1ccccc1-n1c(C)nnc1SC[C@@H](O)COc1ccc(C#N)cc1 14053131 NALDWLWUBHYNEE-KRWDZBQOSA-N 380.473 3.288 30 40 GGEB N#Cc1ccccc1OCC(=O)N1c2ccccc2NC(=O)C[C@H]1C(F)(F)F 14165849 SBLDVYLCPKGOHX-INIZCTEOSA-N 389.333 3.243 30 40 GGEB COc1ccc(C)cc1CN1CCN(C(=O)CCc2ccc(C#N)cc2)CC1 24617421 OKPCVAFDSQCMAK-UHFFFAOYSA-N 377.488 3.152 30 40 GGEB C=CCn1c(SCCCn2cncn2)nc2sc3c(c2c1=O)CCCC3 40127236 FSOUYUSCSSITEC-UHFFFAOYSA-N 387.534 3.297 30 40 GGEB C#CCn1/c(=N/C(=O)Cc2ccc(CC)cc2)sc2cc3c(cc21)OCO3 101126753 GFUDIYWHIJUUCS-DQRAZIAOSA-N 378.453 3.297 30 40 GGEB CCCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O 102932843 UXPLCBHXPBTYNT-UHFFFAOYSA-N 398.525 3.102 30 40 GGEB C#CCN(C(=S)Nc1ccc2nccnc2c1)c1ccc(C(=O)OC)cc1 408735149 KGDBGYPXNGXRMF-UHFFFAOYSA-N 376.441 3.253 30 40 GGEB C#CCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O 408866659 HSHKHYSBWKKNDY-VBKFSLOCSA-N 396.855 3.183 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C1=O 409138895 JKMHPLHVXZNNLV-LDADJPATSA-N 378.384 3.043 30 40 GGEB CC/N=C1\S/C(=C2\C(=O)Nc3ccc(Br)cc32)C(=O)N1CC 2702294 XCUIVDODLIPBRZ-MMHKUDGTSA-N 380.267 3.084 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)c1 408607443 MJAHPBVMRZFCJB-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC#N)c1 3550883 WPZGNWQIGIYKRQ-UHFFFAOYSA-N 390.848 3.402 30 40 GGEB CCNc1nc(NCC)nc(N/N=C(\C)c2ccc(Br)cc2)n1 24037652 HWWHMXTZTMLPFN-LSHDLFTRSA-N 378.278 3.334 30 40 GGEB CCc1ccc2c(c1)/C(=N/N=c1/[nH]c(-c3ccc([N+](=O)[O-])cc3)cs1)C(=O)N2 13857157 DPFFSMUSCGYUPF-UHFFFAOYSA-N 393.428 3.471 30 40 GGEB COc1ccc(N2C(=O)NC(=O)[C@@H](/C=N/c3ccc(C)c(Cl)c3)C2=O)cc1 4738587 MZGZINSEWBASEE-SBUZPKSBSA-N 385.807 3.259 30 40 GGEB CCOc1ccc([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)cc1 5997519 IFYJHBRWLMDFCB-HNNXBMFYSA-N 383.473 3.455 30 40 GGEB C#CCNC(=O)COC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 8213508 HQGBSYZCPHAYDD-UHFFFAOYSA-N 379.456 3.469 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccc(C)cc1 33936419 WXSWVWBOGLUHQR-XVGQJIODSA-N 397.471 3.171 30 40 GGEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N1CCN(Cc2ccsc2)CC1 23376253 HNIXQOASJZDSKE-CQSZACIVSA-N 388.924 3.418 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccco1 85409870 SSEZKNWTEXACMF-AWEZNQCLSA-N 397.368 3.427 30 40 GGEB O=C(OCC#CCSc1nc2ccccc2o1)C1=C[C@H]2C=CC=C[C@H]2OC1=O 4501876 RMHJXZLPIJHRNZ-RHSMWYFYSA-N 393.420 3.061 30 40 GGEB O=C1C=C(Nc2cccc3cc(S(=O)(=O)O)ccc23)c2ccccc2C1=O 4661756 QEFNAZDFZWMBOW-UHFFFAOYSA-N 379.393 3.305 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc(Br)c1 4716198 ZMKYZGSSWADITC-CQSZACIVSA-N 375.226 3.059 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(Cl)cc1Cl 4915746 AQLYYMLYSRJENN-PEGZWESCSA-N 382.243 3.249 30 40 GGEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 5120987 KEFABQULSGVEPI-FDFHNCONSA-N 378.473 3.495 30 40 GGEB CCOC(=O)/C(=N/Nc1cc(C(F)(F)F)ccc1Cl)NCCCOC 5573511 QMOWVTFIKWZCFH-UHFFFAOYSA-N 381.782 3.273 30 40 GGEB Cc1cc(/C=N/n2c(SCC(=O)O)nnc2-c2ccoc2C)cc(C)c1O 7813894 QRDFCIJTPFNBFC-UFWORHAWSA-N 386.433 3.228 30 40 GGEB Cc1cc(C(=O)NC2(C#Cc3ccc(NC(=O)C4CC4)nc3)CCCCC2)on1 12223035 VCOXCERZUKLPFD-UHFFFAOYSA-N 392.459 3.211 30 40 GGEB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 12998066 WNVXPWHENFUXSF-HXUWFJFHSA-N 378.819 3.432 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccncc1 13127718 UZTBPMGMTYSIOU-LJQANCHMSA-N 397.450 3.141 30 40 GGEB CNC(=O)[C@@H]1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(F)cc2)S1 13424334 VZOSPSGZEJDRLR-JJXNMMKVSA-N 389.427 3.233 30 40 GGEB Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c(=O)c1CC#N 13639838 RIZRNZRPBAOVLJ-UHFFFAOYSA-N 399.498 3.056 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)COC(=O)c1cc(OC)ccc1O 32672046 KLSUXAHOCNAKAK-UHFFFAOYSA-N 395.864 3.487 30 40 GGEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1cc(F)ccc1F 46929133 WJXXOIMCDOFTCO-QHHAFSJGSA-N 381.356 3.095 30 40 GGEB C=CCN(C(=O)c1ccc(-c2ccccc2F)s1)[C@@H]1CCS(=O)(=O)C1 58216791 UTFQERGYLHQDDE-CYBMUJFWSA-N 379.478 3.370 30 40 GGEB N#Cc1cccnc1OC1CCN(C(=O)C2(c3ccccc3)CCOCC2)CC1 96119294 PJKLDTICYGRRND-UHFFFAOYSA-N 391.471 3.071 30 40 GGEB COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@@H]1c1cccnc1 101476983 CZDIGESPVHPIPP-LJQANCHMSA-N 386.415 3.086 30 40 GGEB CN(c1cc(C(=O)Nc2ccc(CC#N)cc2)ccc1Cl)S(C)(=O)=O 225971796 FRCQXDLQMWVLHY-UHFFFAOYSA-N 377.853 3.054 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409063970 FKQFFUKLKFRXOF-UXBLZVDNSA-N 385.195 3.285 30 40 GGEB CN(C)c1nc(NCc2ccccc2)nc(N/N=C/c2c[nH]c3ccccc23)n1 4719491 NDVWQKLLZXENLK-ZVHZXABRSA-N 386.463 3.477 30 40 GGEB CC(=O)c1sc(NC(=O)CSc2nnc(-c3ccncc3)o2)c(C#N)c1C 8275598 YYSXCDDSROMSTO-UHFFFAOYSA-N 399.457 3.307 30 40 GGEB COc1ccc(NC(=O)C2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cn1 12545103 QNRHPIBZKFYUIP-UHFFFAOYSA-N 393.403 3.065 30 40 GGEB C[C@H](NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1)c1cccc(Cl)c1 12793322 CRRLYCULNVHZOP-ZDUSSCGKSA-N 391.880 3.023 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4cccnc4)nc13)O2 5345876 GSQCHPVMFPHMQA-QGZVFWFLSA-N 385.383 3.311 30 40 GGEB COc1cccc2cc(-c3csc(NN=C4CCN(C)CC4)n3)c(=O)oc12 4539589 ULHCMXYNHAOHDF-UHFFFAOYSA-N 384.461 3.419 30 40 GGEB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C#N)c(Cl)c2)n1N 6557912 HPWJCPBGSVVEJI-UHFFFAOYSA-N 398.879 3.223 30 40 GGEB NS(=O)(=O)c1ccc(NN=C2c3ccccc3-c3ccccc32)c([N+](=O)[O-])c1 5903399 BLWNAIFYAJEBMH-UHFFFAOYSA-N 394.412 3.087 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H]1CCN(C2CCCCCC2)C1 72230575 DTVRJILQMWHJIG-LJQANCHMSA-N 385.556 3.260 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)Cn3nnc(-c4ccc(F)cc4)n3)c2C#N)C1 7606932 ANHWTDKSBVQQMA-NSHDSACASA-N 396.451 3.176 30 40 GGEB CN(C)c1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3)c(=O)c2C#N)cc1 409198129 XUACAGHQTRJZIR-RAXLEYEMSA-N 386.411 3.039 30 40 GGEB CC(C)Cc1ncc(NC(=O)NC2(c3ccc(C#N)cc3)CCOCC2)cn1 529088985 CHQUZQZLSLGNJY-UHFFFAOYSA-N 379.464 3.374 30 40 GGEB N#C[C@@]1(CO)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 218430702 AYESGKZOPWKLQS-ULQDDVLXSA-N 382.268 3.435 30 40 GGEB C=CCNC(=O)[C@@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421118 CCRFNAAXXBXIEX-OAHLLOKOSA-N 394.500 3.170 30 40 GGEB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NCC1(CC#N)CC1 594700246 DHXJDUMDSDESGT-UHFFFAOYSA-N 377.510 3.366 30 40 GGEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 14608158 AHGMVWBFMMRGOO-KZULUSFZSA-N 377.360 3.195 30 40 GGEB CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)[nH]c(=O)c32)cc1 17080612 OUGHPBUZGRIGEK-INIZCTEOSA-N 394.475 3.342 30 40 GGEB C=CCN(CC=C)C(=O)COC(=O)c1sc(NC(=O)C(C)(C)C)cc1C 22133531 UGDUOJZSAKBMOE-UHFFFAOYSA-N 378.494 3.399 30 40 GGEB CN(C)CCN(C(=O)c1ccc(C#N)cc1)c1nc2cc3c(cc2s1)OCO3 5121447 ZTHVHWRVEZTUID-UHFFFAOYSA-N 394.456 3.105 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(OC)cc2)C3=O)CC1 22575543 YVOIRAHRDZNMPJ-STZFKDTASA-N 394.471 3.155 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cccs2)cc1 102878653 AUMSWUMVHQBOFD-SASZOBLLSA-N 399.468 3.357 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)C1=O 664977 ZEJQQLXFOZOLGU-CPNJWEJPSA-N 393.443 3.350 30 40 GGEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(=O)OC)cc1 3094444 PEOAJKCOESRKOU-LJQANCHMSA-N 383.444 3.394 30 40 GGEB CCNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)/C(=N/c2ccc(OC)cc2)S1 5035089 YZGKPAHIMSMZGZ-GLEDVZQVSA-N 397.500 3.353 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)OCc2ccccc2C#N)c1 7007037 DJBXBOZAHIVRAM-UHFFFAOYSA-N 390.436 3.085 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 32421250 MKYKSSDUANEOLL-CQSZACIVSA-N 397.862 3.247 30 40 GGEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc([N+](=O)[O-])cc1)=C2 40313371 OSDDFPVZXWKIOG-UHFFFAOYSA-N 382.372 3.044 30 40 GGEB biogenic CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 118917772 MVSNUOQYIMBCLK-QLLRYDJYSA-N 390.520 3.412 30 40 GGEB N#Cc1nc(/C=C/c2ccccc2)oc1N1CCN(CCc2ccccn2)CC1 606422490 WTZLBBGDMJUYES-MDZDMXLPSA-N 385.471 3.476 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(C)ccc1C 4216013 CLJWFHHDMJLHSB-UHFFFAOYSA-N 379.485 3.397 30 40 GGEB CCCOc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 4487893 NANCRJYWCNLOKF-INIZCTEOSA-N 395.459 3.053 30 40 GGEB CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 6740810 HMYOKURBOUVVSX-GOSISDBHSA-N 398.846 3.054 30 40 GGEB Cc1c(NC(=O)C[n+]2ccc(C(=O)c3ccccc3)cc2)cccc1[N+](=O)[O-] 6881315 DSZAFVJPJDVGIO-UHFFFAOYSA-O 376.392 3.060 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2nn3cc(-c4ccccc4)nc3s2)cc1 9749793 PZCQHKSNLKMJKX-UHFFFAOYSA-N 375.413 3.347 30 40 GGEB CSCC[C@@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 9864879 YQEVEWCKTOHEAL-SFHVURJKSA-N 394.452 3.019 30 40 GGEB Cc1ccccc1/C(N)=N/OC(=O)c1cccc(I)c1 12655278 SPCCTLKBVMGFNA-UHFFFAOYSA-N 380.185 3.077 30 40 GGEB C=CCOc1ccccc1CN1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 19496968 ZWRQVZNAIFQEHQ-UHFFFAOYSA-N 394.519 3.129 30 40 GGEB C=CCNC(=O)c1cc2cc(Br)cc(Br)c2oc1=O 36627497 OWCZFIXHZOAZJY-UHFFFAOYSA-N 387.027 3.234 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(C)=O)c1 55722806 RUZMMZYKQHHBCV-OAQYLSRUSA-N 377.444 3.419 30 40 GGEB Cc1c(CNC2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc(C#N)n1C 109068287 NZDIBURZYVVBEC-UHFFFAOYSA-N 377.414 3.378 30 40 GGEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccccc1F 408740354 FTGKRMHEYWTCDI-IDTCLIEOSA-N 375.812 3.246 30 40 GGEB C#CCOc1c(/C=C2\SC(=S)N(C)C2=O)cc(Br)cc1OC 409327734 MDQODWSWPOXJCL-GHXNOFRVSA-N 398.303 3.301 30 40 GGEB Cc1nn(CSc2nnc(C)n2/N=C/c2cccc(F)c2)c(C)c1[N+](=O)[O-] 2733236 YCGSRQGWYUEIFL-QGMBQPNBSA-N 389.416 3.079 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2)cc1OC 902761 UATLWIPBDXXHME-FQEVSTJZSA-N 381.428 3.231 30 40 GGEB CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 6740811 HMYOKURBOUVVSX-SFHVURJKSA-N 398.846 3.054 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccc(F)cc2)o1 1019888 LKPXPBWWKRCSIH-MAUKXSAKSA-N 385.391 3.484 30 40 GGEB O=[N+]([O-])c1cc(/C=N/Nc2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1 38185618 HTYOHIRXSGLQQO-VIZOYTHASA-N 381.142 3.417 30 40 GGEB CCc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 7674040 QBFWFWGFPYWTRX-HNNXBMFYSA-N 380.444 3.173 30 40 GGEB C=CCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Br 32109984 KXCUKJAEPQIDCT-MDWZMJQESA-N 381.251 3.120 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)o1 226055786 NDWSIEKUAPQMGA-ZWVYZPEMSA-N 383.407 3.205 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 251940557 SKKSZAPTZJXDMI-LORMMKHESA-N 394.562 3.458 30 40 GGEB COc1cc(CNC(=O)[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)ccc1C#N 599961601 XYXUPJFWXZODRX-CRAIPNDOSA-N 390.361 3.365 30 40 GGEB Cc1cc(CN2CCC[C@@]3(CCCN3C(=O)c3ccc(C#N)cc3)CC2)n(C)n1 585100652 RWKFZGIMGNPGGX-HSZRJFAPSA-N 391.519 3.261 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(O)cc2)nc2sc(C)cc2c1=O 5017296 ZHODBWMZJMTOFH-UHFFFAOYSA-N 387.486 3.389 30 40 GGEB COc1cc(C#N)ccc1OC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 15988375 OPYIECSMPYOUMP-UHFFFAOYSA-N 382.391 3.164 30 40 GGEB O/C(CN1CCN(c2nccs2)CC1)=N\c1nc2ccc(F)cc2s1 19656675 MBZVZTINSGVSJO-UHFFFAOYSA-N 377.470 3.302 30 40 GGEB C=CCOc1ccc(C(=O)N2CCC3(CC2)CNC(=O)c2ccccc2O3)cc1 12225330 JXODBIGDAXICKX-UHFFFAOYSA-N 392.455 3.049 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@H]2CCCO2)[C@@H]1c1cccnc1)c1ccc(Cl)cc1 19153187 ZRWJLIGGEFZZOE-SJLPKXTDSA-N 398.846 3.492 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 10127835 XAFYQBQDSBGJLV-ACCUITESSA-N 396.443 3.280 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccccn2)cc1 102803325 FZDBSRQOQIBOAN-YDJIHCHBSA-N 385.423 3.407 30 40 GGEB CC(C)Cn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O 14182421 VXFDPGVIVWNNNT-UHFFFAOYSA-N 375.222 3.075 30 40 GGEB N#Cc1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2 5590432 MQNIJNNPSZDLCD-UHFFFAOYSA-N 398.444 3.106 30 40 GGEB CC/N=C1\S/C(=C\c2cc(Br)c(O)c(OC)c2)C(=O)N1CC 15985666 IGFDMHMHOCBCGD-LVFICAAZSA-N 385.283 3.475 30 40 GGEB N#Cc1ccccc1S(=O)(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 8036103 WDCCTYDTWXYNQB-UHFFFAOYSA-N 393.472 3.344 30 40 GGEB CCOc1ccc(-n2nc(C(=O)O)c(/C=C/c3ccccc3)c(C#N)c2=O)cc1 409207656 ZOJPJWDSPIIZBG-MDWZMJQESA-N 387.395 3.371 30 40 GGEB COC[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242574923 NJQGPLXKYRZMEI-IPMKNSEASA-N 391.876 3.445 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514075 BCCYQJWVJNWMJZ-SFHLNBCPSA-N 399.468 3.016 30 40 GGEB CC(C)[C](NC(=O)OCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 1560406213 QTWARULIFPBRMR-IBGZPJMESA-N 381.452 3.027 30 40 GGEB Cc1oc(-c2nc(C#N)c(NCc3cccs3)o2)cc1S(=O)(=O)N(C)C 40286840 WYONHAYGFQKCCU-UHFFFAOYSA-N 392.462 3.039 30 40 GGEB C=CCN1C(=O)[C@@H](CC(=O)Nc2ccccc2F)S/C1=N\c1nccs1 100411276 KAXCTNGJCCJIJX-PWNVGIJBSA-N 390.465 3.429 30 40 GGEB N#Cc1c2c(c3nncn3c1NCc1cccnc1)CN(Cc1ccccc1)CC2 20678028 RZDVTKHVKWIXLN-UHFFFAOYSA-N 395.470 3.166 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccc(OC)c1 102800070 NLMODBYISCAILE-WOOAAIBNSA-N 381.428 3.072 30 40 GGEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@H]3O[C@]32C(C)=O)C1 4683856 IKTIOUOCDGDFJO-ZTAOTPELSA-N 388.504 3.476 30 40 GGEB C/N=C1/S[C@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C 105789579 SGCMMDDVGOTUHJ-MUSWWTGGSA-N 379.791 3.247 30 40 GGEB N#Cc1cc(C(=O)c2cc(Br)ccc2O)cn(-c2ccccc2)c1=O 3292019 NPZYQFFNPHWIMT-UHFFFAOYSA-N 395.212 3.408 30 40 GGEB C=CCc1cc(/C=N/c2ccc(C(=O)OC)cc2)cc(OC)c1OCC(=O)O 59247947 WEGGQPIPBIUXQO-WSDLNYQXSA-N 383.400 3.424 30 40 GGEB CCOC(=O)C1CCN(C(=O)c2ccc(COc3ccccc3C#N)o2)CC1 48189967 IXSODVPVOCPLKJ-UHFFFAOYSA-N 382.416 3.146 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(OS(=O)(=O)c3ccccc3)cc2)nc1 4082496 HIUZBGGKXWUNEI-UDWIEESQSA-N 398.400 3.204 30 40 GGEB C=CCOc1ccc(/C=C2\SC(NC(=O)CC)=C(C(=O)OCC)C2=O)cc1 409087706 HIOZYMBCXYMSMW-QINSGFPZSA-N 387.457 3.209 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2cccc(O)c2)no1 6428301 KTCPQQHKFHPDEM-QGZVFWFLSA-N 380.356 3.373 30 40 GGEB CCCn1c(N)c2c(=O)n(CCC)c(-c3ccc(C)cc3)cc2c(C#N)c1=O 68754887 IXEJTEWXSRRWPZ-UHFFFAOYSA-N 376.460 3.413 30 40 GGEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCCC2)C1=O 408533031 PHZDFYJKDMKTRO-LGMDPLHJSA-N 386.473 3.300 30 40 GGEB C#CCOc1ccc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)cc1OC 36360200 PCBBOXPSSNCTBF-AWEZNQCLSA-N 399.472 3.124 30 40 GGEB Cc1cc(Br)cc(Br)c1NC(=O)CN(C)CCC#N 5924951 IPVCIPRJBKYWEK-UHFFFAOYSA-N 389.091 3.304 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC(=O)O)cc1 19904172 ONXAVNKQNUAOOX-IBGZPJMESA-N 395.411 3.138 30 40 GGEB O=C(C[C@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc(F)cc1 4279931 DIPDKVKKJDEORF-CWSMFDFKSA-N 396.447 3.441 30 40 GGEB CCN(CC)C(=O)c1sc(/N=C/c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1C 695694 KUKQVUUQCIJLAX-KEBDBYFISA-N 388.449 3.296 30 40 GGEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@@H]1c1ccc(OCC)cc1 2463690 PJWPVWFOADABES-SUMWQHHRSA-N 386.473 3.463 30 40 GGEB COc1ccc(/C=C/C(=O)ONC(=O)c2ccc(OC(F)F)cc2)cc1OC 3205673 UAINRICTMSZUJD-ONNFQVAWSA-N 393.342 3.207 30 40 GGEB CCOC1(OCC)[C@H](c2ccc(OC)cc2)C(C#N)(C#N)C1(OCC)OCC 4568238 HZCNWVPDBKAQBU-GOSISDBHSA-N 388.464 3.365 30 40 GGEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)C2=O)cc1 4703295 MDQPJFGNSDECPN-LDADJPATSA-N 384.395 3.140 30 40 GGEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)c(F)c1)c1nc(C#N)c(C#N)nc12 4744733 ALMKITXPGWQNIY-RTWAWAEBSA-N 393.397 3.466 30 40 GGEB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)NC1=S 5867567 JHUCVFAKFCWHFV-YVLHZVERSA-N 393.468 3.223 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccs1 6238879 BOWKXPDSXMPJSM-KRWDZBQOSA-N 387.457 3.372 30 40 GGEB Cn1c(SCC(=O)Nc2ccc(C#N)c(Cl)c2)nnc1C(F)(F)F 6505099 YSQJWQBMFRLEDA-UHFFFAOYSA-N 375.763 3.090 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@H]1c1cccc(Cl)c1 6787113 CXZVEDUDXLFKPU-SELCWUDQSA-N 399.878 3.108 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 32506050 RRCHQUSIALGYBU-RGEMVIMISA-N 380.535 3.095 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 40018127 JOFNKWCFMGMSKF-ORAYPTAESA-N 384.509 3.210 30 40 GGEB Cn1cccc1C(=O)N1CCCC[C@H]1CCOC(=O)c1ccc(CC#N)cc1 89756716 KEAQOELJTYCPQC-IBGZPJMESA-N 379.460 3.333 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(C)cc1 218334193 AMPWPPVNXAQBOG-IRFCIJBXSA-N 383.469 3.316 30 40 GGEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc2c(c1)OCO2 408963049 LXGHGHKVPRGJQF-OFVAGRSDSA-N 399.384 3.263 30 40 GGEB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)[C@H](C#N)c1nc(C)cs1 7987264 XUTWTIAHOLIKRQ-LBPRGKRZSA-N 391.474 3.122 30 40 GGEB CCNC(=O)COc1ccc(/C=C2/CCc3cc(OC)ccc3C2=O)cc1OC 96792360 RMCMCYGTIJHCSN-BOPFTXTBSA-N 395.455 3.431 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)CCc1nc(-c2cccs2)no1 58102119 POKQUCLVANCITA-UHFFFAOYSA-N 382.445 3.285 30 40 GGEB CO[C@@H]1CCN(Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 96006539 AOXODUKPSCHDKW-QZTJIDSGSA-N 377.460 3.201 30 40 GGEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408801740 BHDOBLJSXGRNFT-NTCAYCPXSA-N 394.814 3.327 30 40 GGEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2cc(C)c(OC)cc2C)C1=O 409079189 KIVWCKJLHFENNH-GDNBJRDFSA-N 389.473 3.270 30 40 GGEB COc1cc(CNC(=O)C2(C)CCN(c3ccc(Cl)cc3C#N)CC2)on1 603153924 CIFPQZJNTIUVJD-UHFFFAOYSA-N 388.855 3.131 30 40 GGEB COc1cc(/C=C2/S/C(=N\c3ccc(O)cc3)NC2=O)cc(OC)c1OC 16692640 QXPXUXLBRYZSSF-MHWRWJLKSA-N 386.429 3.310 30 40 GGEB C=CCN(CC(=O)Nc1cccc(C(C)=O)c1)S(=O)(=O)c1cccc(C)c1 2637115 IBXBHNQYGHXTRT-UHFFFAOYSA-N 386.473 3.013 30 40 GGEB COCCn1c(NC(=O)c2ccc(F)cc2)c(C#N)c2nc3ccccc3nc21 3216792 FUVFUZVTOZVKAR-UHFFFAOYSA-N 389.390 3.494 30 40 GGEB COc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(C#N)cc3)nc12 4359245 RAELPSJFNKZLTF-UHFFFAOYSA-N 380.473 3.385 30 40 GGEB COC(=O)c1ccc(/C=C2\Oc3cc(O[C@@H](C)C(=O)OC)ccc3C2=O)cc1 5961494 XNIHLSYCGSGGLY-XACIZNRCSA-N 382.368 3.030 30 40 GGEB biogenic CC(C)n1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc2c1=O 7236901 ZBUMVGNKIKRCCE-UHFFFAOYSA-N 384.505 3.412 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 32505655 WWVDWCUUBCSLKG-JSKCELRFSA-N 380.535 3.095 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 32507969 OOTWNSREWGCKNL-QGGALKJISA-N 394.562 3.458 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102876642 LURQSPINNOIUHY-HVESIFNPSA-N 375.359 3.242 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224755522 KGZPRXVQNRKAIJ-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB CCS(=O)(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1 57881408 YXQFTKVNAAYPJC-UHFFFAOYSA-N 398.484 3.192 30 40 GGEB CC(C)c1ccc([C@@H]2c3c(nc(N4CCCCC4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 19961565 LNPMKJBKZVCXDH-IRXDYDNUSA-N 391.475 3.107 30 40 GGEB C=CCn1c(-c2ccccc2Cl)nn([C@H]2CC(=O)[C@@H]3OC[C@H]2O3)c1=S 6667746 MXPRLZSQCRUBMN-JGGQBBKZSA-N 377.853 3.176 30 40 GGEB N#Cc1cccc(-c2c[nH]c(CNC(=O)c3ccn(-c4cccc(F)c4)n3)n2)c1 89780865 FSOKYNHBDYPVTH-UHFFFAOYSA-N 386.390 3.203 30 40 GGEB N#C[C@@H](C(=O)Nc1ccccn1)C(=O)[C@@H]1C[C@H]1c1csc(Br)c1 528928087 MTIPDLDXDQVFEP-QJPTWQEYSA-N 390.262 3.357 30 40 GGEB Cc1ccc(NC(=O)/C=N/OCC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 3285022 FVZCAFCOIORWJU-SSDVNMTOSA-N 396.472 3.387 30 40 GGEB CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)cc1OC 14111854 VWRCWFAMDXXCQI-VMPITWQZSA-N 386.400 3.462 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2 4963554 YMVYVYNJUDYZOB-UHFFFAOYSA-N 383.404 3.165 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2ccc(F)cc2)c1=O 5268966 CTBTWUAWWKLEMH-UHFFFAOYSA-N 392.346 3.068 30 40 GGEB COc1cccc(/C=C/C(=O)c2c3c(c(OC)c4c2OCO4)CN(C)CC3)c1 20112803 BUWJLRIUMCZMTR-BQYQJAHWSA-N 381.428 3.317 30 40 GGEB biogenic CCCCc1ccc(N2/C(=N\C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 100937075 AEAODYJICOXTLQ-NNGLLJABSA-N 394.562 3.287 30 40 GGEB N#CCCn1c2c(c3ccccc31)CCN([C@@H]1CC(=O)N(c3ccccc3)C1=O)C2 22607634 ZQGCUFVATGUYQM-OAQYLSRUSA-N 398.466 3.245 30 40 GGEB COc1cccc2cc(-c3cc(=O)oc4cc(OCC#N)ccc34)c(=O)oc12 4340013 STKBFDKZSDBFIS-UHFFFAOYSA-N 375.336 3.477 30 40 GGEB biogenic N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc1 6887218 VZKVAMXOUMWUCV-UHFFFAOYSA-N 387.395 3.487 30 40 GGEB COc1ccc(OC)c(C2=NC(=N)S/C2=N\Nc2cccc(C(=O)O)c2)c1 7167309 PHNDLXFCPBSBOE-IFXPMFNXSA-N 384.417 3.298 30 40 GGEB C=C[C@@]1(C)[C@@H]2CC3=C(O[C@H](C)CC3=O)O[C@@]2(C)[C@@H](O)C[C@H]1C(C)(C)C(=O)O 514288252 YEXGHUFFSUBLPG-XSEYRVGKSA-N 378.465 3.055 30 40 GGEB biogenic,in-vitro CCc1cc(SCC(=O)N(C)CCC#N)n2c(nc3ccccc32)c1C#N 4485533 BEDGQPXCGSAGIE-UHFFFAOYSA-N 377.473 3.386 30 40 GGEB COc1ccc(CN2CC3(CCN(C(=O)C4(C#N)CCCC4)CC3)CC2=O)cc1 1565554915 KIBUOTBCBRCJHG-UHFFFAOYSA-N 395.503 3.120 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102856744 KFUJLKUSMMLATH-QVRGASTFSA-N 399.468 3.357 30 40 GGEB CC1(C)Cc2c(C#N)c(OCC(=O)N3CCCCC3)nc(-c3ccco3)c2CO1 12324600 ROORJCFZCPSUKJ-UHFFFAOYSA-N 395.459 3.456 30 40 GGEB COC(=O)c1ccccc1-c1ccc(/C=N/NS(=O)(=O)c2ccccc2)o1 6490486 YCEIQZCNPUMPKI-DEDYPNTBSA-N 384.413 3.046 30 40 GGEB CCn1cc(/C=C2/Oc3cc(OCC(N)=O)ccc3C2=O)c2cc(OC)ccc21 8992491 CUQCVBRYRADZJB-DNTJNYDQSA-N 392.411 3.150 30 40 GGEB N/C(COc1ccccc1)=N/OCc1cc2c(cc1Br)OCCO2 84553521 XVONOAOUMXNQCQ-UHFFFAOYSA-N 393.237 3.088 30 40 GGEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(Cc3ccc(Cl)cc3)c2)c1 3350577 SWTNMYJGWBXEEK-UHFFFAOYSA-N 394.814 3.367 30 40 GGEB O=S(=O)(/N=C(\O)CCc1ccc(Cl)s1)c1ccc2c(c1)OCCO2 48470573 BUGTYCKKLHUUAI-UHFFFAOYSA-N 387.866 3.451 30 40 GGEB C=CCc1ccc(OC[C@@H](O)CN2CCOc3ccc(OC)cc32)c(OC)c1 72304944 ODUJYZVCKZBFGO-KRWDZBQOSA-N 385.460 3.071 30 40 GGEB CCOC(=O)/C(=N\Nc1ccc(C)cc1)Sc1nnnn1-c1ccc(C)cc1 33345038 QSIIDEAKIOJSEV-HEHNFIMWSA-N 396.476 3.360 30 40 GGEB COC(=O)c1[nH]/c(=N\N=C/c2cccc([N+](=O)[O-])c2)sc1-c1ccccc1 33766520 DQHJLRYAQAAVPJ-ODLFYWEKSA-N 382.401 3.373 30 40 GGEB CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCCC4)c1/N=C/N(C)C 2680206 BAYGAWLCUNRWHO-SSDVNMTOSA-N 398.492 3.154 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccco2)cc1 104198421 SMYVVBWEYPDMIY-WOOAAIBNSA-N 391.427 3.297 30 40 GGEB CC(=O)N1C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)Oc2ccccc21 32727208 POBMEFRYZIVZAZ-SGTLLEGYSA-N 395.484 3.497 30 40 GGEB C[C@@H](C(=O)Nc1sc2c(c1C#N)CCCC2)N1C(=O)c2ccccc2C1=O 854044 JUCDMHVELLRYQD-NSHDSACASA-N 379.441 3.122 30 40 GGEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c(OCC)c1 4065903 CLKYGJLWORFYIB-HXUWFJFHSA-N 383.444 3.488 30 40 GGEB CCOc1cc(/C=N/n2cnnc2)ccc1OCCOc1ccccc1OC 4499401 KHHPUVZNFCTZSY-YDZHTSKRSA-N 382.420 3.025 30 40 GGEB Cc1cc(NS(=O)(=O)c2cc(C#N)ccc2C)c2cc([N+](=O)[O-])ccc2n1 96013528 GUNRQFUKVKUPEG-UHFFFAOYSA-N 382.401 3.432 30 40 GGEB N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1cccc(Cl)c1 19961402 CLERWKSODXDYON-CABCVRRESA-N 391.818 3.391 30 40 GGEB CN1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)SC1=Nc1cccc(F)c1 409012344 QQICYLBCPVFRHG-QHOMEFQRSA-N 387.436 3.489 30 40 GGEB Cn1nc(CC(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)c2ccccc2c1=O 95594963 BQEJPHGJMHASAD-UHFFFAOYSA-N 386.333 3.005 30 40 GGEB Cc1c(-c2ccccc2)[nH]c(SCC(=O)Nc2sccc2C#N)nc1=O 95941633 ZWEFUKWDHVERBC-UHFFFAOYSA-N 382.470 3.409 30 40 GGEB N#Cc1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)cnc1C(F)(F)F 571179856 IJRKGMRXWGYKFI-UHFFFAOYSA-N 385.349 3.147 30 40 GGEB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 226052986 PWZJMAWEKCTPSN-UHFFFAOYSA-N 385.489 3.012 30 40 GGEB COc1cccc2cc(-c3cs/c(=N\N=C\c4ccccc4O)[nH]3)c(=O)oc12 4863118 RSAITKCJXFUIJR-UFFVCSGVSA-N 393.424 3.499 30 40 GGEB COc1ccc([C@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 1261097 QDVGNCUXPXBBQD-IBGZPJMESA-N 380.400 3.143 30 40 GGEB CC1=NN(C(=O)c2ccccc2O)[C@@](O)(C(F)(F)C(F)(F)C(F)(F)F)C1 59366446 FKFUOFIXDSWRRE-NSHDSACASA-N 388.239 3.136 30 40 GGEB Cc1cccc2c(O)c(/C=C3\S/C(=N\c4ccccc4)NC3=O)c(=O)[nH]c12 101629552 DXCCQHSZAJJSHZ-GDNBJRDFSA-N 377.425 3.434 30 40 GGEB COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@H]23)cc1 4028500 XUUAJBGMSDFLAK-XPRTXTSQSA-N 385.504 3.312 30 40 GGEB biogenic COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)cc1 4576857 SMXCYBBSDCPECC-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB N#Cc1ccccc1COc1cccc(C=Nn2c(O)nc3ccccc3c2=O)c1 409345412 IIVIWUYNKBLWJR-UHFFFAOYSA-N 396.406 3.435 30 40 GGEB COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1 4732534 BALDDJPHWWRKPC-DEDYPNTBSA-N 398.444 3.045 30 40 GGEB COc1cc(/C=C/c2nc(C#N)c(NCCCN(C)C)o2)cc(OC)c1OC 8373920 DLVONNNIGPMJIZ-BQYQJAHWSA-N 386.452 3.106 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 17145789 GBKROVPNGKVLTK-IBGZPJMESA-N 390.395 3.462 30 40 GGEB COc1ccc(NC(=O)c2ccc(NCC(=O)NC3(C#N)CCCC3)cc2)cc1 40162270 HCPKESIAIALPPY-UHFFFAOYSA-N 392.459 3.312 30 40 GGEB COc1ccc(NC(=O)[C@@H](C)N2CCCN(c3ccccc3C#N)CC2)cc1 52801197 HKXAKHOQMMVSCX-QGZVFWFLSA-N 378.476 3.106 30 40 GGEB COc1ccc(-c2c(C#N)c(SCC(N)=O)nc3c2C(=O)CC(C)(C)C3)cc1 1019730 RNXIQLYIOAYHPM-UHFFFAOYSA-N 395.484 3.361 30 40 GGEB Cc1cc(C)nc(SCc2cc(=O)n3c4ccccc4nc3n2CCC#N)n1 9262088 CSGWXVVIEGLGDZ-UHFFFAOYSA-N 390.472 3.262 30 40 GGEB CCOC(=O)NC(=O)CSc1cc(CC)c(C#N)c2nc3ccccc3n12 5312207 XSSUCNQOPGNGEN-UHFFFAOYSA-N 382.445 3.286 30 40 GGEB O=c1c(/C=N/n2c(S)nnc2Cc2ccc(F)cc2)coc2ccccc12 9458467 XDZFGCRNCGNPHB-UFFVCSGVSA-N 380.404 3.285 30 40 GGEB C#CCOc1ccccc1CNC(=O)Nc1ccccc1-c1nnnn1C1CC1 72285293 UGGZOODNVXFBPA-UHFFFAOYSA-N 388.431 3.009 30 40 GGEB Cc1ccc(-c2csc3ncn(CC(=O)NC4(C#N)CCCC4)c(=O)c23)s1 7671956 MEWRLSMDFTUPPD-UHFFFAOYSA-N 398.513 3.448 30 40 GGEB N#Cc1cnn(-c2ccc(NC(=O)c3cc(F)c(F)c(F)c3F)cc2)c1N 71802090 LEZHNWYZWNXQBN-UHFFFAOYSA-N 375.285 3.135 30 40 GGEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(CC)cc4)c(=O)n3n2)cc1 16736789 ZEZBOBUWISPJSN-RGEXLXHISA-N 389.480 3.493 30 40 GGEB COc1ccc(-c2c[n+](CC(=O)c3ccc([N+](=O)[O-])cc3)c3n2CCC3)cc1 17248573 VTBRPEMJAONGFO-UHFFFAOYSA-N 378.408 3.189 30 40 GGEB N#Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C(F)(F)F)cc1 8748465 YFAMYSNKKXANIQ-MRXNPFEDSA-N 389.333 3.243 30 40 GGEB CCOC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1OCC 408913102 KQJNVUWPPZWGEE-UHFFFAOYSA-N 380.396 3.490 30 40 GGEB N#Cc1nccnc1N1CCC(C2(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]43)CC2)CC1 1069809416 XRBAJFMPKHNOFL-RYQLBKOJSA-N 379.508 3.040 30 40 GGEB N#Cc1cnn(-c2ccccc2)c1NC(=O)CSc1ncnc2ccsc12 48325104 RVUNSTBLPQFKKF-UHFFFAOYSA-N 392.469 3.479 30 40 GGEB COc1ccc(CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)cc1 12886065 RWBIPIUHWVWIJW-QVWGPJDHSA-N 399.531 3.353 30 40 GGEB biogenic CCCC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 13756121 LXHWZQVTNOVYEB-UHFFFAOYSA-N 384.524 3.377 30 40 GGEB C=CCOc1ccc(/C=C2\SC(NC(C)=O)=NC2=O)cc1Br 4576204 KXCUKJAEPQIDCT-JYRVWZFOSA-N 381.251 3.120 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N 95351605 SJSYEZFNLZPPOT-VQTJNVASSA-N 387.399 3.376 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 409132906 KXBYTNJPDJWYHK-GZTJUZNOSA-N 382.391 3.492 30 40 GGEB N#CCOc1ccc(Br)cc1/C=C1/NC(=O)N(c2ccccc2)C1=O 409009745 HVVNZKMESAKABQ-RVDMUPIBSA-N 398.216 3.449 30 40 GGEB COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1O[C@H](C)C(=O)O 409020179 MMONKLOHVWDWDH-QQHUYRGFSA-N 384.432 3.134 30 40 GGEB Cn1c(=O)n(C)c2cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)ccc21 408889717 GCEQBHDBITXKJE-YBEGLDIGSA-N 398.875 3.422 30 40 GGEB CC[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409359304 NAASLBKJIVHCCL-AWEZNQCLSA-N 380.448 3.228 30 40 GGEB COc1ccc(/N=C2/S[C@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2C)cc1 96502375 OKXJPWIDCYXUEG-MBOBHEEDSA-N 399.472 3.294 30 40 GGEB CN1C(C(=O)c2ccccc2)=C(N2CCCCC2)c2ccccc2S1(=O)=O 716101 OFDMMZCALZJMBC-UHFFFAOYSA-N 382.485 3.358 30 40 GGEB COC(=O)C1=C(c2ccc(Cl)cc2)NC(=S)N[C@@H]1c1ccc(C#N)cc1 105093629 WBBSAPMQMHMYGR-MRXNPFEDSA-N 383.860 3.315 30 40 GGEB CC(C)Sc1ncccc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 48288417 JCIBXXMFEDVMDD-UHFFFAOYSA-N 397.504 3.282 30 40 GGEB CCc1ccc(CC)c(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C#N)cc3)C2=O)c1 6845970 YLZQXBPXAJUGNQ-QHCPKHFHSA-N 389.455 3.333 30 40 GGEB CCCCN1C(=O)c2ccc(C(=O)[C@H](C#N)c3nc4ccccc4[nH]3)cc2C1=O 8628267 IVMBKHNAYABMDB-INIZCTEOSA-N 386.411 3.449 30 40 GGEB COc1ccc(OC)c([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c1 22608690 QBOOBJTXYCHZKV-ODXCJYRJSA-N 392.415 3.304 30 40 GGEB CC(=O)O[C@@H]1C[C@]2(C)[C@@H](C(C)=O)CC[C@H]2[C@@H]2CC[C@@]34O[C@@H]3C(=O)CC[C@]4(C)[C@H]21 123197115 ZPMXXAQAMXLLIS-IJHBJROUSA-N 388.504 3.476 30 40 GGEB C=CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(SC)cc2)cc1 224995108 RUEGVDBNEKTZLQ-UHFFFAOYSA-N 393.486 3.253 30 40 GGEB N#Cc1nn(-c2cccc(Cl)c2)nc1N1CCN(Cc2ccccc2)CC1 256045645 AGMMCXLHZIKIFZ-UHFFFAOYSA-N 378.867 3.115 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)o2)c1 13065767 OJSNSPBKJSYWKO-IBGZPJMESA-N 382.460 3.345 30 40 GGEB CCn1cc(C#N)c(=O)c2cc(F)c(N3CCN(Cc4ccccc4)CC3)cc21 1775967284 KTELBRNXDFSEQK-UHFFFAOYSA-N 390.462 3.354 30 40 GGEB CSc1nc(O)c(C(=O)N[C@H]2CCSc3ccc(F)cc32)cc1C#N 31893091 AUEGFQMQBCUNRR-ZDUSSCGKSA-N 375.450 3.487 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302403 NCJMZROTOYPMFB-NNGLLJABSA-N 394.562 3.458 30 40 GGEB C=CCN1C(=O)COc2ccc(NC(=O)c3cc(=O)c4cc(C)ccc4o3)cc21 32593371 JSXNLRPSXRSQOC-UHFFFAOYSA-N 390.395 3.265 30 40 GGEB CN(CCC#N)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3331009 AELKJASWGPABHC-UHFFFAOYSA-N 377.473 3.398 30 40 GGEB CCOC(=O)C[n+]1ccc2ccccc2c1Cc1cc(OC)c(OC)c(OC)c1 4671190 UFIKDOXTBRBCAI-UHFFFAOYSA-N 396.463 3.307 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1cccc(F)c1 4736319 OAWKGNKZQYXDSX-UHFFFAOYSA-N 390.469 3.161 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 5246394 AEAODYJICOXTLQ-LGCYAQKOSA-N 394.562 3.287 30 40 GGEB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)/C1=N\N=c1/[nH]ccs1 5942531 XCPYEFOIIMUDHV-ZHZULCJRSA-N 382.474 3.188 30 40 GGEB CCOC(=O)c1sc2nc(COc3ccc(C#N)cc3OC)nc(N)c2c1C 12401418 XBZRWNHJCXGHEZ-UHFFFAOYSA-N 398.444 3.218 30 40 GGEB N#Cc1ccc(Cc2cnc(NC(=O)CCCNC(=O)c3ccco3)s2)cc1 12765032 RDXJZIGCGKWOBL-UHFFFAOYSA-N 394.456 3.347 30 40 GGEB C=CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)S/C1=N/c1nccs1 16689689 ZBHAAXZXJQVMRF-UPBQRODFSA-N 382.470 3.280 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)cc1O 18197634 IZKIHKBXYDNUHE-BUXKBTBVSA-N 394.456 3.470 30 40 GGEB C=CCN1CCN([C@H](c2ccc(OCC)cc2)c2nnnn2C(C)(C)CC)CC1 19499696 DWYZNLPRSLTJBI-HXUWFJFHSA-N 398.555 3.110 30 40 GGEB COc1cccc(/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)c1 20111742 JRQDNYRAOVPLFL-VULIGXMUSA-N 384.432 3.230 30 40 GGEB Cc1nc(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)n(C[C@@H]2CCCO2)c1C 24514176 KIVHEYGUGXUMIF-GJYPPUQNSA-N 378.542 3.214 30 40 GGEB COc1cc(/C=C/C(=O)[C@@H]2C(=O)C=C(C)OC2=O)cc(Cl)c1OC(F)F 32641957 INRUBLBTYKNKIM-RDFMZFSFSA-N 386.734 3.178 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N 101164024 WZICCNNVCGEKOT-WOJBJXKFSA-N 387.399 3.376 30 40 GGEB CS(=O)(=O)OC[C@@]1(Br)CC1(c1ccccc1)c1ccccc1 1689495 DYIUZRHTGAKKPO-INIZCTEOSA-N 381.291 3.486 30 40 GGEB C=CCN(C(=O)[C@@H](C)N1C(=O)c2ccccc2C1=O)c1nc2c(s1)CCCC2 23660056 CHLQFYFRULASJB-CYBMUJFWSA-N 395.484 3.226 30 40 GGEB CCCOc1cccc(/C(O)=N/S(=O)(=O)c2cccc(-c3nnco3)c2)c1 84758637 YMCMXQAMFAXSST-UHFFFAOYSA-N 387.417 3.219 30 40 GGEB CCCCCCCCCCn1c(N(CC)CC)nc2c1c(=O)[nH]c(=O)n2C 8396631 WQLWPFXGFKYYSD-UHFFFAOYSA-N 377.533 3.410 30 40 GGEB O=C(O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H](CC5)[C@@H]4C3=O)o2)c1 222287144 YWXAEKYBZLFIKF-AKYMMEASSA-N 390.395 3.176 30 40 GGEB C[C@@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)NCCCN(C)C 12652036 AKGOJBVCWNLASB-MRXNPFEDSA-N 398.551 3.018 30 40 GGEB O=C(O)[C@]1(c2ccccc2)CC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 13143245 CTMVPQXTZDHTSF-UIMCMNAESA-N 384.348 3.477 30 40 GGEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12913857 YCPFCJIUPTZMCZ-FUHWJXTLSA-N 376.460 3.236 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C1=O 4690769 PEGPPFAQZORFAK-LDADJPATSA-N 378.384 3.043 30 40 GGEB C=CCOc1c(Br)cc(/C=C2/C(=O)NC(=O)N=C2O)cc1OCC 27532025 HVBUBOZATMFPFS-UHFFFAOYSA-N 395.209 3.002 30 40 GGEB C=CCN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3cccs3)ccc21 9166745 VIZKYTDADGKTPP-UHFFFAOYSA-N 392.502 3.487 30 40 GGEB COC(=O)C(C(=O)CSc1ccc2c(c1)OCCO2)=C1Nc2ccccc2N1 22847481 ZATJKLJXWWVWTP-UHFFFAOYSA-N 398.440 3.041 30 40 GGEB N#CCCNC(=O)COC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 58167025 VBIMUZVAEHQTTP-UHFFFAOYSA-N 393.374 3.334 30 40 GGEB N#Cc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2Cl)c1 11999239 DOXOUHIGXXWWHS-UHFFFAOYSA-N 389.864 3.394 30 40 GGEB Cc1ccc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1Br 408919194 UPROOTRZZWRIRW-OMDWYFEUSA-N 385.261 3.145 30 40 GGEB Cc1cc(S(=O)(=O)N(CCC#N)Cc2cccnc2)ccc1Br 46704690 BQQYZHGIHFGBTL-UHFFFAOYSA-N 394.294 3.257 30 40 GGEB Cc1ccc(C(=O)OC[C@@H]2O[C@@H](C#N)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1 5814247 CNZCFLNRRCOAAM-AABGKKOBSA-N 379.412 3.367 30 40 GGEB C=CCOc1ccc(/C=c2/sc3nc(/C=C/c4cccs4)nn3c2=O)cc1 16807454 HPFOCCVKVHCNBU-QDNZWQKDSA-N 393.493 3.495 30 40 GGEB Cc1cccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C#N)c2=O)c1 5269666 VPAKBIRFZWERJN-UHFFFAOYSA-N 388.383 3.237 30 40 GGEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@H]1c1ccco1 20219356 AJBWWARXUBGZIQ-GOSISDBHSA-N 380.400 3.166 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)Nc1ncc(Cc2ccccc2)s1 12906885 SZFYDVRIHGHWII-UHFFFAOYSA-N 392.484 3.482 30 40 GGEB CC(=O)c1ccc(N2CSc3nc(-c4ccco4)c(C#N)c(=O)n3C2)cc1 13689912 ITRGOAWKRHCPGL-UHFFFAOYSA-N 378.413 3.105 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409097738 OJVSGNDVYQSVIA-GZTJUZNOSA-N 381.457 3.415 30 40 GGEB C#CCOc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409085684 FLEJIUCODALXBP-MHWRWJLKSA-N 382.803 3.458 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cccc(C)c21 32074333 IMXMAVVHPBMZDZ-HSZRJFAPSA-N 382.423 3.438 30 40 GGEB N#Cc1cccc(C(=O)N2[C@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 96099568 XMAPQZBMYBIWSJ-UFRUDQCGSA-N 380.469 3.168 30 40 GGEB N#Cc1ccsc1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 34854179 ZYMGJUDELFYESJ-UHFFFAOYSA-N 394.422 3.399 30 40 GGEB N#Cc1ccnc(N2CCC(Cn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c1 1775973202 JXQCPAYZSPBQKT-UHFFFAOYSA-N 389.434 3.233 30 40 GGEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@@]21C 4783360 MVSNUOQYIMBCLK-XLWMTSDTSA-N 390.520 3.412 30 40 GGEB C=CCNC(=O)c1ccc(NC(=O)c2cn(CCOC)c3ccccc23)cc1 57436300 QSXAYKUPFNHOBT-UHFFFAOYSA-N 377.444 3.456 30 40 GGEB CCc1ccc(N2C(=O)[C@@H](/C=N/c3ccccc3OC)C(=O)NC2=S)cc1 4739285 FBDIBZQJWOZCET-NGZBARDMSA-N 381.457 3.024 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cc(Cl)ccc1F 15586141 CCWWWIOWPZEMCK-UHFFFAOYSA-N 395.843 3.202 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(Cl)c(O)c(OC)c1 19855058 AWRDPPOFOQSLSL-INIZCTEOSA-N 377.824 3.195 30 40 GGEB biogenic,in-vitro Cc1cc(C)n(CC(=O)Nc2ccc(Br)c(C)c2C)c(=O)c1C#N 409411986 PAMKBBCILNIRTK-UHFFFAOYSA-N 388.265 3.355 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccc(F)cc1 4742215 KDUXLDODBSJBFX-BXTJHSDWSA-N 397.402 3.212 30 40 GGEB N#Cc1c(NC(=O)C2=COCCO2)sc2c1CCN(Cc1ccccc1)C2 23230149 ITDAETBYNPGXPG-UHFFFAOYSA-N 381.457 3.005 30 40 GGEB N=C(N/N=C\c1cc(Br)cc(Br)c1O)c1ccccn1 20027317 DDSCLIMKCHDUBT-WSVATBPTSA-N 398.058 3.261 30 40 GGEB Cn1ccc(=N/N=C2\C=C(C(=O)Nc3ccccc3)C(=O)c3ccccc32)cc1 988464 MZNLVWYEEXFBIL-YYADALCUSA-N 382.423 3.092 30 40 GGEB Cc1cc(S[C@@H](C)C(=O)N2CCOCC2)n2c(nc3ccccc32)c1C#N 9032002 CDAAHAUYCNBSOC-AWEZNQCLSA-N 380.473 3.007 30 40 GGEB COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 4889192 DTBUPBBUEMGDBU-HZPDHXFCSA-N 382.464 3.051 30 40 GGEB Cc1nn(-c2ccccc2)c(Cn2cnc3sc4c(c3c2=O)CCC4)c1C#N 18353623 ISGBBASNRVTFBA-UHFFFAOYSA-N 387.468 3.361 30 40 GGEB COc1ccc(OC)c(N2C[C@@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)c1 32796451 IXNGQKIWBRUZNO-ZDUSSCGKSA-N 399.472 3.245 30 40 GGEB C=CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccc(Cl)cc1 225781901 GNVRYSZHJOITRV-UHFFFAOYSA-N 394.905 3.229 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OCC)cc1 224586683 USVZOVXXOKYUAZ-UHFFFAOYSA-N 377.462 3.484 30 40 GGEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000747 KKGUOWVDUDGMKW-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(-c4cccnc4)c(=O)n2C3)cc1 5396537 QXFHCWWFBSPWJW-FXAWDEMLSA-N 396.450 3.041 30 40 GGEB biogenic,in-vitro Cc1ccc(C#N)c(N2CCC(Cn3c(C)nc4cc(F)ccc4c3=O)CC2)n1 1889179476 KEGXAGKARMPXPH-UHFFFAOYSA-N 391.450 3.336 30 40 GGEB CCOC(=O)Cc1ccc(/N=C/c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 4181383 PFCDGCMJXIWTOX-PXLXIMEGSA-N 397.431 3.288 30 40 GGEB O=C1C[C@H](C(=O)Nc2cccc(F)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 100129421 BMAOIVYHTJEGMJ-PBHICJAKSA-N 378.403 3.301 30 40 GGEB O=C(CCN1C(=O)c2ccccc2C1=O)Nc1cccc(C#Cc2ccccn2)c1 32908455 GTBRUWNJRALEDY-UHFFFAOYSA-N 395.418 3.106 30 40 GGEB C=CCNS(=O)(=O)c1ccc(OC)c(NC(=O)c2cccc(Cl)c2)c1 6230766 LPJDCOZZTOHMGA-UHFFFAOYSA-N 380.853 3.065 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)[C@@H]2c2cccnc2)no1 102511443 INKDOQNXWVGHNU-HVESIFNPSA-N 379.347 3.143 30 40 GGEB NC1=C(c2ccccc2)C(=O)CN1NC(=O)c1sc2ccccc2c1Cl 3246122 AXBVVHRPFVDQDD-UHFFFAOYSA-N 383.860 3.412 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\Nc1nc(-c2ccc(O)c(O)c2)cs1 100133427 GDLAPCMFJZNZHI-XYOKQWHBSA-N 380.381 3.319 30 40 GGEB in-vitro C/C(=N\Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccccc1 5158364 PGYDCEMAAVSXIJ-XMHGGMMESA-N 388.449 3.215 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccccc1 218339124 JBZKBZOGHKYRIT-ZIFCJYIRSA-N 389.860 3.353 30 40 GGEB CC(=O)Nc1ccc2nc(N/C=C3\C(=O)Oc4ccccc4C3=O)sc2c1 44827565 MGLUEPJICUVUSW-LCYFTJDESA-N 379.397 3.352 30 40 GGEB N#Cc1ccc(N=c2[nH]c([C@@H]3CCCN(Cc4ccccn4)C3)cs2)cn1 585295289 TUESRDCVJVXNSG-OAHLLOKOSA-N 376.489 3.350 30 40 GGEB CCOC(=O)/C(=N/Nc1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1 821009 UHCFSRGQOVHOAS-SILNSSARSA-N 396.852 3.111 30 40 GGEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccnc2)cc1 13127337 RXTKTDKJDFNEIE-IBGZPJMESA-N 396.443 3.095 30 40 GGEB N#Cc1cnn2c(O)cc(CSc3nnc(C4CC4)n3-c3ccccc3)nc12 40114230 FZPAVRGNTVGVOW-UHFFFAOYSA-N 389.444 3.057 30 40 GGEB N#Cc1c(CCCNc2nccc(C(F)(F)F)n2)nn(-c2ccccc2)c1N 32827739 JDDKKMIUAVNVPC-UHFFFAOYSA-N 387.369 3.180 30 40 GGEB COc1ccc(CNC2=C(I)C(=O)CCC2)cc1OC 100943263 HFVAZVPZBHYCJN-UHFFFAOYSA-N 387.217 3.193 30 40 GGEB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc(Cl)c1OC 9817446 UDXNPGKMVAQKAG-NSHDSACASA-N 388.807 3.413 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 5799642 INDHTQWGQOMIFM-KUHUBIRLSA-N 381.428 3.044 30 40 GGEB CC/N=C1/S/C(=C/c2cc(Br)c(O)c(OC)c2)C(=O)N1CC 5823478 IGFDMHMHOCBCGD-MSEWRAJFSA-N 385.283 3.475 30 40 GGEB CCOC(=O)C1=C(Nc2ccccc2)S[C@]2(CC(C)=C(C)C[S@]2=O)C1=O 5499647 ONZKHYYDQLOZOL-SIBVEZHUSA-N 391.514 3.374 30 40 GGEB COc1ccccc1Nc1nnc(SCC(=O)N[C@@](C)(C#N)C2CC2)s1 4835812 KXJPYECOVCTPEL-KRWDZBQOSA-N 389.506 3.191 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 19972667 CMQQTIDPWQRXBS-SFHVURJKSA-N 399.878 3.265 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)cc1 20057863 DYPJVBCHZQSNEJ-LJQANCHMSA-N 398.459 3.127 30 40 GGEB COc1ccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c(OC)c1 102681677 FMBYCPFMBKMTOE-DEPWHIHDSA-N 392.415 3.213 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccccn1 102730231 NMTJQBILLRRDND-LFVOPCPISA-N 397.475 3.137 30 40 GGEB COc1cc(/C=N/S(=O)(=O)CCc2ccccc2)cc(Br)c1O 952568 XLDHNIKGZWITSU-WOJGMQOQSA-N 398.278 3.155 30 40 GGEB CCOc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)cc1 6787744 CWWBFXLOUUQQJG-GIJQJNRQSA-N 389.260 3.410 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)cc1C 10523529 LSZHDSFGDCBTKE-UHFFFAOYSA-N 394.406 3.206 30 40 GGEB Cc1nn(-c2ccccc2)c(Cn2cnc3cc(Cl)ccc3c2=O)c1C#N 10871768 IFXYKZZWZSJQHX-UHFFFAOYSA-N 375.819 3.464 30 40 GGEB C=CCN1CCC[C@]2(CC1)CN(C(=O)c1cnc(C)cn1)Cc1ccccc1O2 12365586 ZGWPCQXURAUCAX-QHCPKHFHSA-N 392.503 3.231 30 40 GGEB O=C(O)[C@@]1(c2ccccc2)CC/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 13143244 CTMVPQXTZDHTSF-DYGKOUCMSA-N 384.348 3.477 30 40 GGEB N/C(Cn1c(C(F)(F)F)nc2ccccc21)=N\OC(=O)c1ccccc1F 13640630 YOORJELCBHEUGK-UHFFFAOYSA-N 380.301 3.323 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(F)cc1 17146924 QZINGAHGYZSLEP-LJQANCHMSA-N 399.418 3.367 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@@H](Cc2cccc(-c3ccccc3)c2)C1=O 19592852 YFPONEQMUHROOB-JOCHJYFZSA-N 392.499 3.016 30 40 GGEB Cc1cc(N2CCN(C(=O)CC(C)C)CC2)n2c(nc3ccccc32)c1C#N 25523402 TYPBGZHYNRWJOW-UHFFFAOYSA-N 375.476 3.362 30 40 GGEB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)cc1 70462141 KCRYYJGZDIBZJM-UHFFFAOYSA-N 394.431 3.216 30 40 GGEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@@H]2CCCCN2Cc2nccn2C)n1 585292754 AGRGTYNASCKZNK-IBGZPJMESA-N 388.479 3.256 30 40 GGEB C=CCn1c(SC[C@@H](O)COc2ccc(C#N)cc2)nc2ccsc2c1=O 10911411 RSHYORYNDYAGKP-AWEZNQCLSA-N 399.497 3.048 30 40 GGEB N#Cc1ccc(CSCC(=O)NCc2cccc(Cn3ccnc3)c2)cc1 48123413 NWSQAODTJJQCAL-UHFFFAOYSA-N 376.485 3.353 30 40 GGEB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)N(CCC#N)c1ccccc1 5353084 ZPRCXMMCQOVMMK-INIZCTEOSA-N 392.488 3.398 30 40 GGEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)cc1OC 5445645 SCQZZCUDTFRCHW-IBGZPJMESA-N 379.412 3.468 30 40 GGEB Cn1cc(-c2nc([C@@H]3CCCCCN3C(=O)c3cccc(C#N)c3)no2)cn1 96001865 USLFQVCIFXWFEH-KRWDZBQOSA-N 376.420 3.099 30 40 GGEB N#C[C@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 8718025 IAQJVDOIAZPKIE-WIYYLYMNSA-N 392.463 3.289 30 40 GGEB CC1(C(=O)NCC[C@@H]2CCOC2)CCN(c2ccc(Cl)cc2C#N)CC1 553125557 PWTHMSHUTKKICZ-OAHLLOKOSA-N 375.900 3.361 30 40 GGEB COCc1cccc(-c2cn([C@H]3CCN(c4sccc4C#N)C3=O)nn2)c1 603192396 IIWAOSSSYQVWKE-KRWDZBQOSA-N 379.445 3.003 30 40 GGEB COc1ccc(CNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@@H]32)cc1 12661496 CSUXWMCNCBHXHE-JASRHFMUSA-N 385.504 3.310 30 40 GGEB biogenic O=C(CO/N=C/c1ccc2c(c1)OCO2)Nc1cccc(Br)c1 3579213 QMWJWOTXYXRCMG-QGMBQPNBSA-N 377.194 3.167 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 17145785 GBKROVPNGKVLTK-LJQANCHMSA-N 390.395 3.462 30 40 GGEB Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc(NC(C)C)c1C#N 3986654 QWHMQQHHLRCLLD-UHFFFAOYSA-N 377.408 3.461 30 40 GGEB CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCC(=O)OC 8811898 NMLGOIDKNJEYHW-SRZZPIQSSA-N 376.840 3.414 30 40 GGEB C=CCN(c1ccccc1OCC)S(=O)(=O)c1ccc2c(c1)OCCO2 224825109 MRZWXAXYSMIQFS-UHFFFAOYSA-N 375.446 3.238 30 40 GGEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5303139 WOKHJGHJZFGSLS-CSIMIJJJSA-N 380.535 3.067 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccccc2)cc1 13208239 LURRMFVHAIXNRM-UYAOXDASSA-N 393.439 3.453 30 40 GGEB Cc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)c(C)c1 13573505 YIASWORGHZNMSU-QGZVFWFLSA-N 378.457 3.427 30 40 GGEB COc1cccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)c1 849247 BSPKIIPGXPCTJH-QBEKEKFNSA-N 399.472 3.294 30 40 GGEB Cc1cc(CN(C)CC(=O)N(C)C(C)(C)C#N)cc(C)c1OCC(F)(F)F 54395211 NSFJYZJTUFLSCB-UHFFFAOYSA-N 385.430 3.437 30 40 GGEB N#Cc1cccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 54531456 DPGNZCNOSXKMET-UHFFFAOYSA-N 388.393 3.338 30 40 GGEB COc1ccccc1-n1cc(C(=O)c2cc(Cl)ccc2O)cc(C#N)c1=O 3250159 CBSYKBJUKZYODB-UHFFFAOYSA-N 380.787 3.308 30 40 GGEB C=CCn1c(SCc2nnnn2CCCC)nc2cc(Cl)ccc2c1=O 57851131 HBAHMFUHDAWLGO-UHFFFAOYSA-N 390.900 3.315 30 40 GGEB Cc1ccc(/C=C/C(=O)N2CSC[C@H]2C(=O)Nc2ccc(C#N)cc2)s1 65562866 QRFBSXMXBZUMAV-IJDCCNJMSA-N 383.498 3.482 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224782948 RYAFGQHIGLCVOO-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB C#CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 47405886 QAXHYKKQKZNTOS-LJQANCHMSA-N 389.455 3.063 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCC[C@@H](C)C3)c(=O)c21 12113532 OZUZFTAKHVNAMT-CYBMUJFWSA-N 384.505 3.166 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(C)cc1 102925656 CPWXKBRPARSERY-NHFXJNLRSA-N 395.455 3.380 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 862317 QNLNTDGLIHFAMU-LJQANCHMSA-N 383.444 3.389 30 40 GGEB Cc1cc(=O)oc2ccc(OC/C(O)=N/S(=O)(=O)C3CCCCC3)cc12 58080204 WCYJEDUQDHUMGS-UHFFFAOYSA-N 379.434 3.099 30 40 GGEB COc1cc2[nH]c3c(=O)n(/N=C/c4ccc(SC)cc4)cnc3c2cc1OC 2322081 RXJVGNCKVDDGCB-LSHDLFTRSA-N 394.456 3.499 30 40 GGEB CCOc1ccc(-c2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1 409409518 VYZAIRKVESFXAT-HZVDNRATSA-N 376.412 3.486 30 40 GGEB Cc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C[C@H]2CCCO2)o1 8850642 DNZMMOYTLMWVEJ-QGZVFWFLSA-N 384.480 3.128 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cnccn1 5081402 IMQXBFUQJOGOPJ-UHFFFAOYSA-N 386.868 3.305 30 40 GGEB CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2ccco2)C1=O 409004389 AWTNDLFSLJFHRV-PTNGSMBKSA-N 383.425 3.450 30 40 GGEB O=C1COc2cc(C(=O)OCC#Cc3ccc(C(F)(F)F)cc3)ccc2N1 72312603 WIFCBGSGOMBKIJ-UHFFFAOYSA-N 375.302 3.245 30 40 GGEB CC1(C)OB(c2cnc3c(c2)ncn3COCC[Si](C)(C)C)OC1(C)C 218686763 IMRSDLSWLTZWGD-UHFFFAOYSA-N 375.354 3.043 30 40 GGEB COc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[C@@H]2C(=O)ON=C2C)cc1 198253999 QPJXQKRZYIJENL-UXHICEINSA-N 391.427 3.163 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4cccc(C#N)n4)C3)ccc2n1 2298076603 HPEVMCCOIROKFQ-HNNXBMFYSA-N 376.464 3.199 30 40 GGEB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)C2=C(C[C@H](c3ccco3)CC2=O)N1 100420993 GQQMMIPCMCKSTF-SMDDNHRTSA-N 384.819 3.408 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2cccc(O)c2)no1 102872916 OWIHCQUVLHUMIL-HVESIFNPSA-N 380.356 3.216 30 40 GGEB N#Cc1cccc(NC(=O)c2nnc3cc(-c4ccc(Cl)cc4)nn3c2N)c1 1413630 TUNNONLMIDPGBD-UHFFFAOYSA-N 389.806 3.151 30 40 GGEB C#Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)s3)C2)c1 12883538 WTZOTDJYVYZOPQ-INIZCTEOSA-N 388.514 3.077 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1sccc1C)C(C(=O)OC)=C(C)N2 8133007 XBZRBEKYMFYAHC-GFCCVEGCSA-N 389.502 3.422 30 40 GGEB C=CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(OCC)cc2)C1=O 408808561 JJNNEGBVSDQUHO-NBVRZTHBSA-N 392.411 3.317 30 40 GGEB C=CCN(CCOc1ccc(S(N)(=O)=O)cc1)Cc1ccc(Cl)s1 27359929 QNROASZUCDXLAJ-UHFFFAOYSA-N 386.926 3.116 30 40 GGEB C#C[C@@](C)(CC)OC[C@@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12421438 JQDDMPJAZVZFEI-OALUTQOASA-N 384.442 3.007 30 40 GGEB Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1ccccc1F)O2 20573316 NWQTWWZWCSOLMS-UNOMPAQXSA-N 382.435 3.203 30 40 GGEB CC(=O)N1CCc2c(sc(NC(=O)c3cc(-c4ccccc4)on3)c2C#N)C1 38805509 MFAILSZBXRDISZ-UHFFFAOYSA-N 392.440 3.432 30 40 GGEB CCOC(=O)C[N+]12CCC(CC1)[C@H](C(O)(c1ccccc1)c1ccccc1)C2 1867870 SMJGBAZFCYTANQ-WRVMZKTCSA-N 380.508 3.342 30 40 GGEB O=P(OCC(F)(F)C(F)F)(OCC(F)(F)C(F)F)N1CCOCC1 3145228 NIOYDOWUVWDKHK-UHFFFAOYSA-N 395.183 3.261 30 40 GGEB COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1 4473140 PQNQEUSJHZHSAV-BSBNDGSWSA-N 387.436 3.424 30 40 GGEB N#Cc1ccc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)cc1Cl 5229946 QBTABLSBDBDNMU-UHFFFAOYSA-N 384.819 3.261 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9446386 DIAIFXSBRWJHNK-SFHVURJKSA-N 390.534 3.010 30 40 GGEB O=C1C[C@H](c2ccco2)CC2=C1[C@@H](c1cccc([N+](=O)[O-])c1)n1ncnc1N2 14608170 ROQUDWKJTROYMN-KZULUSFZSA-N 377.360 3.195 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)S/C1=N/c1nnc(C)s1 16770002 ZVRLJEDGWNWBET-OEMZLLKESA-N 386.458 3.335 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)Cc2ccccc2Cl)cc1 17918568 NKBBHQKZQAEULS-UHFFFAOYSA-N 378.881 3.077 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 35290424 DYIWQEKSWCIQKL-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB CCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 70462135 AWHOHILWHQBHLM-UHFFFAOYSA-N 394.431 3.218 30 40 GGEB C[C@H](Cc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 84640748 BHBZUPRZMWIXPS-GFCCVEGCSA-N 379.409 3.121 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@H](c2cccc(Cl)c2)/C1=C(\O)c1ccco1 102515706 YPBISIYWCOLQAS-DPEHCCBOSA-N 381.775 3.349 30 40 GGEB COCc1cccc(-c2cn([C@@H]3CCN(c4sccc4C#N)C3=O)nn2)c1 603192397 IIWAOSSSYQVWKE-QGZVFWFLSA-N 379.445 3.003 30 40 GGEB CCOC(=O)C[N+]12CCC(CC1)[C@@H](C(O)(c1ccccc1)c1ccccc1)C2 1867871 SMJGBAZFCYTANQ-WQNVSQMQSA-N 380.508 3.342 30 40 GGEB C=CCn1c(SCC(=O)N2CCCCC2)nc2cc(Cl)ccc2c1=O 3315276 LJWYQKAPJYWKQA-UHFFFAOYSA-N 377.897 3.341 30 40 GGEB Cc1ccccc1Cn1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1=O 5269158 OBZDVMQHLWGKKH-UHFFFAOYSA-N 388.383 3.237 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C#N)cc3)c2C#N)C1 6199886 IKHQFMWEYHVVQJ-LBPRGKRZSA-N 379.441 3.412 30 40 GGEB N#CCc1ccc(NC(=O)COC(=O)c2cc(F)ccc2Br)cc1 7867768 KXJNOZOXCWHGJZ-UHFFFAOYSA-N 391.196 3.450 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccncc2)c1 13119695 QSCBOCKJRCDPMH-IBGZPJMESA-N 390.395 3.462 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2ncccc2c1=O 31614995 CDAFTCQGNWISOJ-UHFFFAOYSA-N 384.436 3.156 30 40 GGEB CSc1nc(O)c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)cc1C#N 31893089 AUEGFQMQBCUNRR-CYBMUJFWSA-N 375.450 3.487 30 40 GGEB Cc1ccc(C)c(-n2nnnc2SCCC(=O)Nc2ccccc2C#N)c1 40025046 ZLGWDCLRWLUFEK-UHFFFAOYSA-N 378.461 3.272 30 40 GGEB N#CC1CCN(C(=O)[C@@H]2CCCN2C(=O)c2cc(Cl)cc(Cl)c2)CC1 58439882 QOKITOZOFULHMM-INIZCTEOSA-N 380.275 3.360 30 40 GGEB COc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[C@H]2C(=O)ON=C2C)cc1 198253970 QPJXQKRZYIJENL-VQTJNVASSA-N 391.427 3.163 30 40 GGEB COc1ccc(-c2nn(CCC#N)cc2C(=O)NCc2ccccc2)cc1OC 4516889 ULYMBUCJYSRYJC-UHFFFAOYSA-N 390.443 3.411 30 40 GGEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@@]1(C)O 103219344 RXEFEKFVTCJSBE-SGXKBVARSA-N 384.476 3.197 30 40 GGEB CN(C(=O)CO/N=C(\N)c1ccc(Oc2ccc(F)cc2)nc1)c1ccccc1 58439464 SLKOQVIPNYAVOF-UHFFFAOYSA-N 394.406 3.313 30 40 GGEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCC(=O)OC 408930794 CDJSSHSTLFAHBL-HZHRSRAPSA-N 398.459 3.224 30 40 GGEB COC(=O)COc1ccc2c(c1)O/C(=C/c1cn(C)c3ccc(OC)cc13)C2=O 8990987 WGWQAJMJLQAHSI-DNTJNYDQSA-N 393.395 3.355 30 40 GGEB CC(C)Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c(C#N)c2c1CCC2 13115846 WFAUSMGSYQEJRO-UHFFFAOYSA-N 378.476 3.196 30 40 GGEB C[C@@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 65453382 QEJNXHRZYIYWDN-ZDUSSCGKSA-N 379.441 3.173 30 40 GGEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3cccs3)n2C)n1 7834829 QMEASBMSMNUYFQ-GFCCVEGCSA-N 389.531 3.201 30 40 GGEB C[C@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccccc1C#N 8716219 XYCUUTGUXFJNIB-NWDGAFQWSA-N 395.440 3.175 30 40 GGEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccccc2Cl)s1 8768383 RWOOGJSZPAHTSF-UHFFFAOYSA-N 375.859 3.042 30 40 GGEB C=CCn1c(SCC(=O)OC(C)C)nnc1[C@H]1COc2ccccc2O1 8754049 OVGSNHIPJYUEDM-OAHLLOKOSA-N 375.450 3.020 30 40 GGEB CCN(CC)c1ccc(/C=N\O)c(OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1 409062908 CSKSOCDORKBRLI-NDENLUEZSA-N 386.408 3.267 30 40 GGEB CCN(CC(=O)Nc1cccc(C#N)c1)CC(=O)Nc1cc(Cl)ccc1C 14201386 VKNUEKVFEFGJAT-UHFFFAOYSA-N 384.867 3.419 30 40 GGEB N#Cc1cccnc1N1C[C@@H]2CN(c3nc4c(F)cc(F)cc4s3)C[C@H]2C1 2086868846 RMKRELDHMAXDKH-CHWSQXEVSA-N 383.427 3.414 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4cccc(C#N)n4)C3)ccc2n1 2298076604 HPEVMCCOIROKFQ-OAHLLOKOSA-N 376.464 3.199 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3cccs3)[C@H]2c2cccc(O)c2)no1 102556723 VGXOGBZSUKXEJA-IBOXJLQUSA-N 382.397 3.376 30 40 GGEB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@@H](C#N)C(=O)c1ccc(OC)cc1OC 103613558 OYPHVZVNZQADBQ-HNNXBMFYSA-N 398.415 3.031 30 40 GGEB COc1ccc(CCN2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1OC 791094 XBYIVXJBDDSFNR-UHFFFAOYSA-N 395.484 3.068 30 40 GGEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(CCN2CCCC2)CC1 22789807 PDKCPMRNHSNMEI-UHFFFAOYSA-N 388.515 3.079 30 40 GGEB C=CCNC(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 4858299 KIYNXKCZRPITMC-UHFFFAOYSA-N 380.414 3.303 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 57124102 BLLLUVPQSMPZPG-UHFFFAOYSA-N 386.473 3.351 30 40 GGEB CCCCS[C@H](C)C(=O)[C@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 58159233 WMNWRDXXFFVZTF-GDBMZVCRSA-N 397.566 3.210 30 40 GGEB CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972625 XEKLKCTXISELFR-UHHPSXQGSA-N 378.450 3.207 30 40 GGEB COc1cc2c(cc1/C=C/C(=O)c1ccc(OCC(=O)N(C)C)cc1)O[C@@H](C)C2 14183164 YWKDXEVEHJGKCB-VSGCLNPGSA-N 395.455 3.382 30 40 GGEB CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)o2)cc1 5540172 CFSBAPYWZRKVKQ-NRFANRHFSA-N 382.416 3.360 30 40 GGEB O[C@@]1(c2ccccc2)CS/C(=N/c2cccnc2)N1CCCn1ccnc1 96102341 FYXSUWLYOGAVBF-PAYQVUOSSA-N 379.489 3.250 30 40 GGEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)cc1 24150634 PGFVXTVWTYGVSW-UHFFFAOYSA-N 396.465 3.106 30 40 GGEB C[C@H](O)c1ccc(C2(CNS(=O)(=O)c3ccc(C#N)cc3)CCCC2)s1 225684602 KQDHUSFEQQLQIP-AWEZNQCLSA-N 390.530 3.463 30 40 GGEB CCN(CC)[C@H]1CCN(c2nc(C)cc(N3CC[C@@H](N(CC)CC)C3)c2C#N)C1 596143316 SIKIMVNDFLZDJI-UXHICEINSA-N 398.599 3.103 30 40 GGEB CO/N=C(\Cn1ncc(N2CCCC2)c(Cl)c1=O)c1ccc(Cl)cc1 4049965 CGEVJIOKECMGHW-KGENOOAVSA-N 381.263 3.201 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(CC)cc1 3580334 BPWIXWCSIZWALX-UHFFFAOYSA-N 379.489 3.286 30 40 GGEB CCOc1ccccc1NC(=O)C[n+]1cc(-c2ccc(OC)cc2)n2c1CCC2 6554628 SOBRDJTZIZPNPO-UHFFFAOYSA-O 392.479 3.435 30 40 GGEB CC1CCN(c2nc3nccc(-c4ccc(OCC#N)cc4)c3c(=O)[nH]2)CC1 22606955 JHJYBBJASHKXKS-UHFFFAOYSA-N 375.432 3.124 30 40 GGEB CSc1nc(N)nc(SCC(=O)c2ccc(Br)cc2)c1C#N 2283079 GLRWJVXMMQHEQS-UHFFFAOYSA-N 395.307 3.390 30 40 GGEB CCNC(=S)N/N=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 409371779 HPZQIEJCQCHZLA-SRZZPIQSSA-N 381.461 3.416 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(Br)c1)CC(=O)N2 4944230 BBAOKJJOIQTAMS-LLVKDONJSA-N 392.278 3.285 30 40 GGEB N#Cc1ccc2c(c1)CCC[C@@H]2NC(=O)NC1CCN(c2nccs2)CC1 520550324 JPROKEWHDOFKQQ-SFHVURJKSA-N 381.505 3.360 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2ncccc2c1=O 31615118 USLJLZWKDNHLLT-UHFFFAOYSA-N 380.473 3.325 30 40 GGEB C=CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br 96893036 HNJFFTLGYNSGQR-PTNGSMBKSA-N 399.244 3.475 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccccc1F 8996989 LIHZSSSFGSXLAN-HVESIFNPSA-N 388.464 3.261 30 40 GGEB C=CCNc1nn2c(=O)cc(C)[nH]c2c1-c1nc(-c2ccc(Cl)cc2)no1 57354752 MHWJFCVKECMLRG-UHFFFAOYSA-N 382.811 3.299 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1 102856501 VKMZLHOYMHLTLI-WOOAAIBNSA-N 381.428 3.072 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1cccc(Cl)c1 102800212 IEQCXHKUWBBPEP-IBOXJLQUSA-N 375.808 3.391 30 40 GGEB COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)c1 794993 BIDPDUMNLFPJSJ-QAPCUYQASA-N 383.400 3.046 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccc(O)cc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 102280092 WFCIZRPSHGNQIE-QGZVFWFLSA-N 392.459 3.030 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cccnc1 6498908 VXVOCJWHKNVVEU-IBGZPJMESA-N 396.443 3.094 30 40 GGEB Oc1c(Br)cc(Br)cc1/C=N/n1cn[nH]c1=S 5521513 GTOGQILMDGJPBU-QLKAYGNNSA-N 378.049 3.053 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@@H]1c1cccc(Cl)c1 6812680 CXZVEDUDXLFKPU-GHNGSUTGSA-N 399.878 3.108 30 40 GGEB Cc1cccn2c(=O)c3cc(C#N)c(=O)n(-c4cccc5ccccc45)c3nc12 6809424 FFEUFQDYSRVHNU-UHFFFAOYSA-N 378.391 3.332 30 40 GGEB O=C1Nc2ccc(Br)cc2/C1=N\NC(=S)Nc1ccccc1 15773587 BAWUQKOBWWQNTC-UHFFFAOYSA-N 375.251 3.092 30 40 GGEB COc1cccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408962982 WSFBBQJVZZRIPH-OEAKJJBVSA-N 377.444 3.259 30 40 GGEB C=C(Cl)COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccccc1F 22987847 OABOSCUAQFVRIE-INIZCTEOSA-N 397.855 3.011 30 40 GGEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)S2)c(C)c1 408721756 YCEKUBMDFSVLHL-WQRHYEAKSA-N 392.484 3.385 30 40 GGEB C=CCc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(OCC)c1OCC 409346497 LBUDSCOLHAXWFI-HJWRWDBZSA-N 387.392 3.492 30 40 GGEB N#Cc1ccc(C(=O)N2CCOC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)cc1 77265638 PVVRCKPRVFFFHG-GOSISDBHSA-N 390.361 3.497 30 40 GGEB biogenic,in-vitro C=CCNC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1 225926180 GMTUWSOVIJFMGI-UHFFFAOYSA-N 379.411 3.488 30 40 GGEB CC(C)(C)C(=O)CNC(=O)c1ccc(-n2cccn2)c(C#Cc2ccccn2)c1 19080969 QPKFWTOZMASCRI-UHFFFAOYSA-N 386.455 3.012 30 40 GGEB CCOC(=O)C/C(=N/Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)OCC 4280452 OSJXLBSCHSRLTJ-WQRHYEAKSA-N 392.195 3.186 30 40 GGEB C[C@@H](C(=O)NC1CC1)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 22933336 HSCOYHOUCMIREN-SFHVURJKSA-N 388.515 3.010 30 40 GGEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc3c(c1)OCCO3)=C2 79188934 LPVIDRLZZOFMRX-UHFFFAOYSA-N 381.428 3.187 30 40 GGEB biogenic O=C(OCC#CCSc1nc2ccccc2o1)C1=C[C@@H]2C=CC=C[C@H]2OC1=O 4501875 RMHJXZLPIJHRNZ-WMLDXEAASA-N 393.420 3.061 30 40 GGEB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 6790410 CJZFQRJNRXGTGD-HOTGVXAUSA-N 397.500 3.477 30 40 GGEB O=S(=O)(/N=C1\CCCCO1)c1cc(Br)ccc1Br 104065606 OCOPUAPUQKBDPF-SDNWHVSQSA-N 397.088 3.499 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)cc1 29257681 FMMLEPXUKLQKFV-HXUWFJFHSA-N 384.501 3.301 30 40 GGEB Cc1ccc(-n2cnnc2SCc2cc(O)n3ncc(C#N)c3n2)cc1Cl 48326865 WTYVFNFVYWLZFE-UHFFFAOYSA-N 397.851 3.141 30 40 GGEB C=CCOc1ccc(/C=c2/sc3nc(-c4cccs4)nn3c2=O)cc1OC 2695970 SKIQLKPXIDCLRS-LFIBNONCSA-N 397.481 3.001 30 40 GGEB O=[N+]([O-])[C@@H](/C=N/OCc1c(F)cccc1Cl)S(=O)(=O)c1ccccc1 5378147 MAQUXGYNXCHGCQ-QANDDYDISA-N 386.788 3.058 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21 7672308 DHLPCVIXJRUJPM-HNNXBMFYSA-N 389.411 3.385 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)no2)nc2cc(Cl)ccc2c1=O 8750339 JTWAIVCOEVDHMY-UHFFFAOYSA-N 390.852 3.263 30 40 GGEB CC(C)(C#N)C[C@H](O)CN1CCN(Cc2cc(Br)ccc2F)CC1 598620761 RYMYFMJQOZLDBT-INIZCTEOSA-N 398.320 3.007 30 40 GGEB C=CCn1nnc2c(sc3nc(N4CCCCC4)c4c(c32)CCCC4)c1=O 31817451 QSBQHWGFIOVINH-UHFFFAOYSA-N 381.505 3.456 30 40 GGEB CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)n2)c(C#N)c1C 2406359 RTZWSZXRZOXHDN-UHFFFAOYSA-N 390.490 3.243 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC)C1=O 2813657 MMOCYYXOLIVDAQ-BOPFTXTBSA-N 381.409 3.061 30 40 GGEB CNC(=O)N(O)[C@@H]1N(/N=C/c2ccc(SC)cc2)C(=S)SC1(C)C 4795070 ICPPDMHGHUJJGK-UWONZBIMSA-N 384.552 3.211 30 40 GGEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 4944280 PXVSQPWGSMDMLG-SECBINFHSA-N 380.256 3.276 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)c1 6886667 CYDFBNKIQUISSD-FYJGNVAPSA-N 382.489 3.418 30 40 GGEB COCCCn1c(Sc2ncccc2C#N)nc2sc3c(c2c1=O)CCC3 12522003 MACRAHSMCIONSE-UHFFFAOYSA-N 398.513 3.401 30 40 GGEB C=CCn1c(=O)n2nc(-c3ccco3)nc2c2c3c(sc21)COC(C)(C)C3 13720730 MEQQOMZUHUWOSC-UHFFFAOYSA-N 382.445 3.403 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 19592850 HIJNEGDPVNSYMY-LJQANCHMSA-N 398.528 3.077 30 40 GGEB COc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\OC(C)=O)cc1 20132990 QGNSRVLPBITWLB-XDOYNYLZSA-N 382.372 3.081 30 40 GGEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2ccc(Cl)c(Cl)c2)cc1 31623585 GBPSKCBYUOUFLG-NVMNQCDNSA-N 386.260 3.264 30 40 GGEB CC(C)CCn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccsc2c1=O 33175268 HZKOZENRVAIKCW-UHFFFAOYSA-N 378.483 3.003 30 40 GGEB C=CCNC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 33713596 GFDHZIQECXICFZ-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB N#Cc1ccccc1NC(=O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 58123615 KOZNIOLWJHNALT-UHFFFAOYSA-N 388.393 3.338 30 40 GGEB CCCCOCCN(CC(=O)N(C)CCC#N)c1cccc(Br)c1 72289501 BOAPUCBGDAYXPN-UHFFFAOYSA-N 396.329 3.444 30 40 GGEB COc1ccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)cc1 89439011 YZFJZSXYANGXAU-HBMCJLEFSA-N 378.428 3.077 30 40 GGEB COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[C@@H]2CCS(=O)(=O)C2)cc1 95116767 KDMYGLCMDQPWLK-MNOULKQQSA-N 395.484 3.154 30 40 GGEB C=CCn1c(SC(C(C)=O)C(C)=O)nc2sc3c(c2c1=O)CCCC3 101404448 NZMGTHVJOIDMFT-UHFFFAOYSA-N 376.503 3.162 30 40 GGEB Clc1ccc(/C=N/N=C2/C3CN4CCN(C3)CC2(c2ccccc2)C4)cc1 101514065 NZJJFISPSCVBMU-FOSQEZJDSA-N 378.907 3.314 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 223788057 IVLIWTRPXLVTAG-UHFFFAOYSA-N 376.434 3.019 30 40 GGEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 408588373 FSQVIXFJCLIWRA-UHFFFAOYSA-N 394.880 3.130 30 40 GGEB COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCC#N 408814925 QRMOARQQYMWKPJ-SDQBBNPISA-N 383.223 3.026 30 40 GGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 409249137 SJHKBHIDFHQSDT-LDADJPATSA-N 376.412 3.109 30 40 GGEB Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/NC(N)=S)cc1 2777208 HBMVVDQMGMODKA-CIAFOILYSA-N 399.497 3.083 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 103298604 RZVIAUYLDOIYCE-QOCHGBHMSA-N 397.456 3.498 30 40 GGEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1Cl)CC(=O)N2 4944271 ZYOZSQVWSSATFF-JTQLQIEISA-N 380.256 3.276 30 40 GGEB N#Cc1ccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1 3286994 LIVPSSGBPGOKON-UHFFFAOYSA-N 377.227 3.381 30 40 GGEB Cc1cc(C)cc(C(=O)NCC(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 12742837 GTZBVKMVKKWMDK-UHFFFAOYSA-N 383.451 3.467 30 40 GGEB N#Cc1nc(-c2ccc([N+](=O)[O-])cc2)oc1N1CCN(c2ccccc2)CC1 2365727 GSRLFAATJNOOGF-UHFFFAOYSA-N 375.388 3.448 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1 24904823 BDFUQQLALUKKRX-UHFFFAOYSA-N 399.458 3.034 30 40 GGEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c(OCC)c1 4065901 CLKYGJLWORFYIB-FQEVSTJZSA-N 383.444 3.488 30 40 GGEB COc1cccc(/C=C2\Oc3cc(OC(=O)N4CCOCC4)ccc3C2=O)c1 13786603 KKEDOZSLRSAEMU-UNOMPAQXSA-N 381.384 3.142 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 9156864 UTYAMXXVJYVKHJ-AUUYWEPGSA-N 378.407 3.104 30 40 GGEB COC(=O)COc1ccc2c(c1)O/C(=C\c1cn(C)c3ccc(OC)cc13)C2=O 28182674 WGWQAJMJLQAHSI-ZBKNUEDVSA-N 393.395 3.355 30 40 GGEB C=CCOc1cccc(/C=C2\C(=O)N(C[C@H]3CCCO3)C(C)=C2C(=O)OC)c1 408998519 QYLYXRLPJWGQKV-ZJYZBMPFSA-N 383.444 3.103 30 40 GGEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc2c(c1)OCO2 218166412 BELIIZMYMRWROS-PCCBWWKXSA-N 399.468 3.210 30 40 GGEB CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C(=O)O)cc1 242677067 SXPRGNDNAPWAEL-ZHALLVOQSA-N 389.860 3.437 30 40 GGEB N#Cc1cc(C(=O)N2CCN[C@@H](c3ccc(Cl)cc3)C2)cnc1C(F)(F)F 1262636522 UWWBVRZVWFIMGN-OAHLLOKOSA-N 394.784 3.412 30 40 GGEB CCOc1cc(/C=N/S(=O)(=O)c2cccs2)cc(Br)c1O 952572 FFGGYPZYHJSCQO-OVCLIPMQSA-N 390.280 3.423 30 40 GGEB CCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)c1 4541124 NXULSDPGKSCOEJ-SFHVURJKSA-N 385.416 3.293 30 40 GGEB C#CCN1C(=O)S/C(=C\c2cc(OCC)c(O)cc2Br)C1=O 6387709 UCHAIWQWCJAWPV-QPEQYQDCSA-N 382.235 3.223 30 40 GGEB N/C(=N\C(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1nc2ccccc2s1 6886143 HNPYNKSOYUUYKT-UHFFFAOYSA-N 375.797 3.425 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10444917 LKHSMSXWNBDPTL-MRXNPFEDSA-N 377.444 3.203 30 40 GGEB CN1/C(=C\C(=O)CSc2ncnc3c2cnn3C)C(C)(C)c2ccccc21 11495009 KOPZJNPFCZZNTL-MFOYZWKCSA-N 379.489 3.336 30 40 GGEB COc1ccc(NC(=O)c2ccc(Cn3nc(C)c(C)c(C#N)c3=O)cc2)cc1 12803977 MCECTIBDCYHCHX-UHFFFAOYSA-N 388.427 3.041 30 40 GGEB Cc1nc(COc2ccc(C(=O)OCc3cn4ccccc4c3C#N)cc2)no1 14854495 XDSXRVQKHLKMHQ-UHFFFAOYSA-N 388.383 3.438 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/[C@H]2C=CC(Oc3ccc([N+](=O)[O-])cn3)=CC2)nc1 32189168 XSDAFAVAYZUAOJ-AHURVMIPSA-N 382.336 3.230 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)cc1 223951394 DHACZUAWMPZZFW-UHFFFAOYSA-N 386.473 3.351 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)cc1C 922152 ZNOJYBXWPRYWQY-HXUWFJFHSA-N 394.471 3.144 30 40 GGEB Cc1ccc2c(COC(=O)c3ccc(NC(=O)CC#N)cc3)cc(=O)oc2c1 3429200 VRFMFLBBWJXSNL-UHFFFAOYSA-N 376.368 3.311 30 40 GGEB COc1cccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c1OC 4127211 FEVYSYBMYNALQF-YHEJVBIMSA-N 392.415 3.213 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Br)cc1)CC(=O)N2 4944250 LXDLPZGQEQGISE-LLVKDONJSA-N 392.278 3.285 30 40 GGEB CC1(C)Cc2c(sc(NC(=O)CC(=O)NCc3ccccc3)c2C#N)CO1 6759211 QCOXBBCLHPCSOQ-UHFFFAOYSA-N 383.473 3.116 30 40 GGEB CNC(=O)[C@@H]1CC(=O)N(CCc2ccccc2)/C(=N/c2ccc(OC)cc2)S1 13151450 MEFKTAGEDNYOMD-NKWDDMGQSA-N 397.500 3.006 30 40 GGEB CCCC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1 13511234 DRUJCSCMETVQOA-UHFFFAOYSA-N 398.551 3.452 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@H]2c2ccc(C)cc2)cc1 19904207 BHJNMYCQSOGRCY-IBGZPJMESA-N 379.412 3.356 30 40 GGEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1O 20060643 BTEYPLQOJOYRNY-CIAFOILYSA-N 383.429 3.347 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 32507096 GVKCSCILRPRGBU-WMEZAZGNSA-N 380.535 3.095 30 40 GGEB CCCCCCCN1C(=O)C[C@@H](C(N)=O)S/C1=N\c1ccc(OC)cc1 97959684 KOHICFWDDLAQNQ-XOMICKMZSA-N 377.510 3.473 30 40 GGEB C=C1C[C@]23CC[C@H]1C[C@H]2[C@@]12CCC[C@@]4(C)[C@@H]5OCCN5[C@H]1O[C@@H]3[C@@H](OC(C)=O)[C@H]42 100058075 HSZMQRORNAEJTB-DEDQYFOTSA-N 399.531 3.484 30 40 GGEB biogenic C/C(=C\C(=O)c1c(O)c2ccccc2n(C)c1=O)Nc1ccccc1C(=O)O 101153915 YBNUXNLOZYWHFU-VAWYXSNFSA-N 378.384 3.141 30 40 GGEB COc1ccc([C@@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[C@H]2C(=O)ON=C2C)cc1 198253977 QPJXQKRZYIJENL-PMACEKPBSA-N 391.427 3.163 30 40 GGEB CCc1ccc(N([C@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 220270398 PTADFTKXZQQABX-OAHLLOKOSA-N 385.489 3.108 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccccc1 242581718 OCMVOPBDXUPHRP-ZHALLVOQSA-N 389.860 3.353 30 40 GGEB C=CCOc1c(Br)cc(/C=C2/C(=O)N(C)C(=S)N2C)cc1OC 409045342 PIGOBRFLKLLZST-WQLSENKSSA-N 397.294 3.052 30 40 GGEB CN(C(=O)COC(=O)Cc1cccc(C(F)(F)F)c1)C1(C#N)CCCCC1 23418910 XRYGNFQPEBENLB-UHFFFAOYSA-N 382.382 3.476 30 40 GGEB COc1ccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@H]2CCCO2)cc1 107576957 YZFJZSXYANGXAU-NJDAHSKKSA-N 378.428 3.077 30 40 GGEB COc1ccc2cc(C#N)c(NCCNC(=O)c3ccc(F)cc3F)nc2c1 20151515 XBXLFWKWBBAXCL-UHFFFAOYSA-N 382.370 3.235 30 40 GGEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC(C(=O)Nc2ccccc2)CC1 12881618 IPVHIKUHOYDBCF-INIZCTEOSA-N 376.460 3.236 30 40 GGEB C=CCSc1nnc(NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)s1 3400635 DDTXDFYPHNJRLO-UHFFFAOYSA-N 387.490 3.107 30 40 GGEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1C 5488284 TXKOMLCMGVWBOR-IAOFPLEJSA-N 386.926 3.050 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccc(-c3ccccc3)cc1)c1c([nH]c(=O)[nH]c1=O)N2 18199475 HRAKGWDZMZNVDO-GOSISDBHSA-N 385.423 3.295 30 40 GGEB N#Cc1ccc(N=c2[nH]c(C3CCN(Cc4ccncc4)CC3)cs2)cn1 585295445 ZLULWPJOOZSJBT-UHFFFAOYSA-N 376.489 3.350 30 40 GGEB CC[C@@H](C)NC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 2373954 AARFARKWXJXHBX-VTGBELTLSA-N 376.420 3.170 30 40 GGEB COc1ccc(C2(CNC(=O)C(=O)Nc3ccccc3C#N)CCCC2)cc1 21691432 YEXXJWLGMLTSMU-UHFFFAOYSA-N 377.444 3.134 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccncc1 102928277 YVVPYABKHXRLSG-YDJIHCHBSA-N 393.487 3.154 30 40 GGEB COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2ccccc2F)CC(=O)N1C 849323 DYFUJIABGIRPTN-BWORXHKJSA-N 387.436 3.424 30 40 GGEB Cn1cccc1/C=C1\C(=O)c2ccccc2S(=O)(=O)N1Cc1ccccc1 12407426 DEQHPMVARMPAHK-XMHGGMMESA-N 378.453 3.453 30 40 GGEB N#CCCNS(=O)(=O)c1cccc(C(=O)Nc2cccc3c2CCCC3)c1 24925545 PYEWDDNUURVUCY-UHFFFAOYSA-N 383.473 3.010 30 40 GGEB Cn1cnnc1Sc1ccc(C(=O)OCc2ccc(C#N)cc2)cc1[N+](=O)[O-] 3259178 VBINCWVKNXMBRW-UHFFFAOYSA-N 395.400 3.103 30 40 GGEB CCOc1cc2c(cc1NC(=O)COc1ccc(C#N)cc1OC)O[C@H](C)C2 10902946 YPYTXGPTOPRULU-CYBMUJFWSA-N 382.416 3.306 30 40 GGEB Cc1nn(Cc2c(Cl)cccc2Cl)c(Cl)c1/C=N/NC(N)=S 3314478 LPFMCDUBLPRWAY-BLLMUTORSA-N 376.700 3.367 30 40 GGEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1cccs1 13683768 FWYWCWYYERUHLK-SFHVURJKSA-N 395.484 3.369 30 40 GGEB Cn1c(Oc2ccc(-c3nc4ccccc4s3)cc2)c(C#N)c(=O)n(C)c1=O 14215402 HFJDSVKUTAJLMR-UHFFFAOYSA-N 390.424 3.025 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1C=Nc1ccc(F)cc1 408534168 LOVLSBYBNKUZFJ-CQSZACIVSA-N 393.296 3.446 30 40 GGEB COc1ccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1 18068807 XTZWMAPAKWTAHT-BWORXHKJSA-N 387.436 3.424 30 40 GGEB C[C@H](Cc1nc2ccccc2s1)NS(=O)(=O)c1ccc(F)c(C#N)c1 89904326 IPNFPLCTOIQCPK-LLVKDONJSA-N 375.450 3.217 30 40 GGEB CCOc1ccc(/C=C/c2nc(O)c(C#N)c(COC)c2[N+](=O)[O-])cc1OC 409194269 JCVUWIBDLQNXQV-FNORWQNLSA-N 385.376 3.291 30 40 GGEB CCOc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1Br 408763643 QAKWQWAUGJGEBK-WOJGMQOQSA-N 397.294 3.469 30 40 GGEB N#Cc1ccc(C(=O)N2CCN(c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cc1 98211797 ZXFYDXBKBDLOTI-UHFFFAOYSA-N 375.407 3.050 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3C[C@H](C)C[C@@H](C)C3)c(=O)c21 12113563 FGKCDCUWMPUGMH-ZIAGYGMSSA-N 398.532 3.412 30 40 GGEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccncc2)cc1 13004481 GHCMGJGCVZRRQM-LJQANCHMSA-N 396.443 3.095 30 40 GGEB C=CCN1CCN([C@@H](c2ccc(OCC)cc2)c2nnnn2C(C)(C)CC)CC1 19499697 DWYZNLPRSLTJBI-FQEVSTJZSA-N 398.555 3.110 30 40 GGEB C[C@H](OC(=O)CSc1nc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 5969959 QJDUXZOXHFTJPS-ZDUSSCGKSA-N 387.461 3.194 30 40 GGEB CCOc1ccc(C2=C(C(=O)CC)Sc3nnc(C)n3N2C(=O)CC)cc1 5223727 YWKPZPBNVGMLCH-UHFFFAOYSA-N 386.477 3.313 30 40 GGEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5303155 WOKHJGHJZFGSLS-LHANULRTSA-N 380.535 3.067 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C=Cc3ccccc3C2=O)cc1 6173297 FEFQLPGLISYGJF-QOCHGBHMSA-N 383.473 3.395 30 40 GGEB N#Cc1ccccc1NC(=O)CCN1CCN(Cc2ccc(Cl)s2)CC1 22931090 XCDDSWXGEKGOKT-UHFFFAOYSA-N 388.924 3.420 30 40 GGEB O=C(CSc1nnnn1C1CC1)Nc1cccc(C#Cc2cccs2)c1 29824230 MBWKTLYURKFJPW-UHFFFAOYSA-N 381.486 3.200 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 32506157 YTBRRPASBNGMLU-YTLYVFJMSA-N 394.562 3.341 30 40 GGEB N#Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 95998724 RKLBTUDVFALLGD-GOSISDBHSA-N 391.475 3.430 30 40 GGEB CN/C(=N/c1cccc(F)c1)S[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100567266 IMCDEVNHOSQKQR-INIZCTEOSA-N 387.436 3.107 30 40 GGEB CCOc1ccc(NC(=O)CN(C)C(=O)c2cccc(C#N)c2)cc1OCC 7405888 ZSGNYDNZVCFXDI-UHFFFAOYSA-N 381.432 3.066 30 40 GGEB N#CCCN(Cc1cccnc1)S(=O)(=O)c1cccc(OC(F)(F)F)c1 43584701 PTZKUHAHSIWMOD-UHFFFAOYSA-N 385.367 3.085 30 40 GGEB COc1cc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)ccc1OCC#N 3353422 UGJZDIZEVWMBIW-CSKARUKUSA-N 398.459 3.161 30 40 GGEB CCCCOc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(F)cc43)c2=O)cc1 13553043 RESAHZXRNVOUAE-FSJBWODESA-N 394.406 3.371 30 40 GGEB CCOc1cc([C@@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1ccccc1C#N 408979847 SSICHYXSXAGNKD-RBUKOAKNSA-N 384.457 3.324 30 40 GGEB CC(=O)c1ccc(-c2ccc(C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)o2)cc1 5540168 CFSBAPYWZRKVKQ-OAQYLSRUSA-N 382.416 3.360 30 40 GGEB Fc1ccccc1Nc1nc2nonc2[nH]c1=N/N=C/c1cccc(Cl)c1 408973958 RQDJZNGMCQBIPA-AWQFTUOYSA-N 383.774 3.417 30 40 GGEB COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OC(C)=O 409033649 FYKYPPCWFDRKJE-MPUCSWFWSA-N 376.228 3.334 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccccc1 242538688 JBZKBZOGHKYRIT-ZHALLVOQSA-N 389.860 3.353 30 40 GGEB Cc1ccc(-c2nn(CCC#N)cc2C(=O)NCC23CCCN2CCC3)cc1C 597586675 GYIICJCVGKVXOX-UHFFFAOYSA-N 391.519 3.439 30 40 GGEB N#Cc1ccccc1COc1cccc(C(=O)N2CCC3(CC2)OCCO3)c1 55197007 BIAJSBKSERDAGT-UHFFFAOYSA-N 378.428 3.116 30 40 GGEB Cc1ccc([C@@H](NC(=O)CSc2ncc(C#N)c(N)n2)c2cccs2)cc1 17669891 FNDHLXIWMUWPSJ-QGZVFWFLSA-N 395.513 3.298 30 40 GGEB N#Cc1cccnc1OC1CCN(C(=O)CSc2nc3ccccc3o2)CC1 211076811 XAZCUYWIFQHGHD-UHFFFAOYSA-N 394.456 3.257 30 40 GGEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)cc1)C1CCCCC1 102714091 ROYVTCJARCSFKX-SJTPKYKMSA-N 396.509 3.007 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(O)c1 3094452 UQDGMNCRJSJTLK-LJQANCHMSA-N 385.460 3.186 30 40 GGEB C=C(C)CN(CC)C(=O)CSc1nnc([C@H]2COc3ccccc3O2)o1 26435915 KSFMQPDYWYZIIC-OAHLLOKOSA-N 375.450 3.099 30 40 GGEB CC(=O)c1ccc(N2CCN(CC(=O)Nc3cc(Cl)ccc3C#N)CC2)cc1 58135135 RCFLXZWYZUPTIV-UHFFFAOYSA-N 396.878 3.175 30 40 GGEB C=CCn1c(SCC(=O)NC(C)(C)C)nc2sc3c(c2c1=O)CCC3 3318925 PHMRZPBRTVBEHG-UHFFFAOYSA-N 377.535 3.140 30 40 GGEB O=C1N/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc([N+](=O)[O-])cc1 26507889 LSNBJEAOQUYTEF-PFVOVTSXSA-N 397.372 3.097 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)cc2C1=O 3526019 LNPDYEQYGVPUIR-AWEZNQCLSA-N 377.396 3.205 30 40 GGEB C#CCn1c([C@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 4033562 MNTAQNZNNOHQQP-HNNXBMFYSA-N 375.428 3.207 30 40 GGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Cl)ccc21 6658763 VLYLGNJPZPHKMH-LJQANCHMSA-N 386.791 3.241 30 40 GGEB CCOc1cccc(/C=N\Nc2ccc(Cl)c(C(=O)O)c2)c1OCC(=O)O 409212368 QNCGCUGLVKSNRC-UKWGHVSLSA-N 392.795 3.346 30 40 GGEB CC(=O)c1ccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408741195 KLYDBIXYIZOEHN-PPAWOMOGSA-N 399.859 3.309 30 40 GGEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2nc3ccccc3s2)CC1 252570654 XBWLBZWLPFAGJB-JOCQHMNTSA-N 379.445 3.078 30 40 GGEB N#Cc1ccc(N2C[C@]3(CCN(C(=O)Cc4cccc(F)c4F)C3)CC2=O)cc1 585101630 ZZMSFUNDZACXGN-JOCHJYFZSA-N 395.409 3.035 30 40 GGEB COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCC(=O)O 16915408 URLASOHMRNOFRQ-MHWRWJLKSA-N 384.413 3.050 30 40 GGEB CCOC(=O)CN1C(=S)N/C(=N\c2ccccc2C)[C@]12CCOC(C)(C)C2 6463461 JKVFNRSDEHRFRI-HXUWFJFHSA-N 389.521 3.106 30 40 GGEB N#Cc1c(O)nc(SCC(=O)NCc2ccccc2)nc1-c1ccccc1 15831955 CEXGUMWKGKQKRT-UHFFFAOYSA-N 376.441 3.129 30 40 GGEB N#Cc1oc2ccccc2c1NC(=O)CSc1nnnn1-c1cccc(F)c1 5796729 HHAUMILCOQWZGS-UHFFFAOYSA-N 394.391 3.150 30 40 GGEB CCOC(=O)N1C[C@@H](C)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C 31871146 UHQXUOPXEWVVTK-URDLNDTPSA-N 379.373 3.158 30 40 GGEB O=C(CN1C(=O)CCOc2ccccc21)Nc1cccc(C#Cc2ccccn2)c1 31081754 ALHBLBJGERVYRP-UHFFFAOYSA-N 397.434 3.236 30 40 GGEB Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 845111 XPSZFJAUFZUCCG-MRVPVSSYSA-N 393.856 3.450 30 40 GGEB O=C(NC(NNc1ccc(F)cc1)(C(F)(F)F)C(F)(F)F)c1cccnc1 2050392 RDUVJKHGGFCAPM-UHFFFAOYSA-N 396.266 3.388 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1OC 4472233 QJDXQNZXTUEFDC-LGMDPLHJSA-N 378.453 3.312 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1cccs1 5576780 OIEZGYRDHOAANU-GROYHEBESA-N 388.464 3.261 30 40 GGEB Cn1c(C2=C(N)N(c3ccccc3Br)CC2=O)nc2ccccc21 5646630 HLTBUEQODRPSJB-UHFFFAOYSA-N 383.249 3.052 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)SC1=S 6295711 LTRDITQZWCJQRO-UKTHLTGXSA-N 382.488 3.066 30 40 GGEB CCc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 6510258 VHRLFGSSLBNTCB-JTQLQIEISA-N 387.461 3.399 30 40 GGEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)c1ccc2c(c1)CCC2 7564416 NDYYAFWSNSHYKZ-CQSZACIVSA-N 376.412 3.456 30 40 GGEB N#Cc1cccc(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 8310328 OYSNSKXYSCJZND-LJQANCHMSA-N 377.444 3.495 30 40 GGEB CCOc1ccc(NC2=NC(=O)/C(=N/Nc3ccc(C(=O)O)cc3)S2)cc1 12652938 JXRSEKIDGALMSA-JWGURIENSA-N 384.417 3.250 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccccc2)cc1 12970066 LURRMFVHAIXNRM-ICSRJNTNSA-N 393.439 3.453 30 40 GGEB CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1C(=O)O 19831710 GRYHBAKFKJIJRE-UHFFFAOYSA-N 381.428 3.485 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 22122517 WAUWQWPUORYZEW-YJYMSZOUSA-N 387.509 3.332 30 40 GGEB C[C@H](C(=O)NC1CC1)N1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 22933333 HSCOYHOUCMIREN-GOSISDBHSA-N 388.515 3.010 30 40 GGEB Cc1nc2nc(SCC(=O)N(CCC#N)c3ccccc3F)nn2c(C)c1C 40119177 KHFIJEZMKBYZLN-UHFFFAOYSA-N 398.467 3.228 30 40 GGEB CCCCCCCCn1c(N2CCC[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 97987806 AXYKHIWNMMRNFX-OAHLLOKOSA-N 375.517 3.020 30 40 GGEB Cc1nc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)s1 102928348 QHGNPKPTSPJATD-HVESIFNPSA-N 399.516 3.133 30 40 GGEB COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)c1OC 103004854 FEVYSYBMYNALQF-XCBAANBCSA-N 392.415 3.213 30 40 GGEB N#Cc1ccc(N=c2[nH]c([C@H]3CCCN(Cc4ccccn4)C3)cs2)cn1 585295288 TUESRDCVJVXNSG-HNNXBMFYSA-N 376.489 3.350 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CCC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 100937038 OEJBRXLCMKRGRO-NNGLLJABSA-N 394.562 3.431 30 40 GGEB COc1ccc2c(c1)O/C(=C\c1ccc(OC(=O)N3CCOCC3)cc1)C2=O 4478786 YHBQYVWMBDFLTM-UNOMPAQXSA-N 381.384 3.142 30 40 GGEB COC(=O)COc1ccc(/C=C2/S/C(=N\c3ccc(OC)cc3)NC2=O)cc1 4524047 GNHYZIFVLQLHEK-GZTJUZNOSA-N 398.440 3.139 30 40 GGEB COc1ccc(/C(C)=N/NC(=S)NC(C)C)cc1CSc1ncccn1 6787477 VIWXHVQSTSAFDO-LPYMAVHISA-N 389.550 3.374 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCNC(=S)NC1CCCCC1)OCO3 35292132 CQALYIOOXUQPLP-UHFFFAOYSA-N 397.504 3.044 30 40 GGEB CS(=O)(=O)Cc1ccc(C(=O)N[C@@H](C#N)c2cccc(C(F)(F)F)c2)cc1 505922452 HPGXJVGSQIWODP-INIZCTEOSA-N 396.390 3.245 30 40 GGEB CN(C)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1 222882246 MGERIASMQUNNEE-UHFFFAOYSA-N 397.500 3.063 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1F 5799858 FEQWVPRQZDROBB-WOOAAIBNSA-N 382.435 3.199 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(OCC)ccc21 100875918 XHRYEOJOQWXVSZ-DQRAZIAOSA-N 396.468 3.493 30 40 GGEB COc1ccc(NC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1 31661630 MBCZZTXLAGUJFD-UHFFFAOYSA-N 393.403 3.169 30 40 GGEB CC1=CC(=O)[C@H](C(=O)/C=C/c2c(C)nn(Cc3ccc(C)cc3)c2Cl)C(=O)O1 102500230 ZOHDDIWRQCZMEO-SGQUHAKNSA-N 398.846 3.430 30 40 GGEB C=C(C)Cn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCc1ccccc1-3 2318482 IVVXSMQBFNXWRT-UHFFFAOYSA-N 397.525 3.377 30 40 GGEB COc1ccc(CCN2C(=O)C[C@H](C(=O)O)S/C2=N\c2ccccc2)cc1 4535747 RGSCMAAMEUTKPR-QBEKEKFNSA-N 384.457 3.344 30 40 GGEB CCNC(=S)N/N=C/c1ccc(OCCOc2ccccc2)c(OCC)c1 4551784 MNCPNQHABFPUSH-PXLXIMEGSA-N 387.505 3.361 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccsc1 4742178 XQRURRVDYROTDP-LXIYXOSZSA-N 385.441 3.135 30 40 GGEB CC1=C/C(=N\NC(N)=S)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 5854547 JFUDBCXCGILAGW-XPPWVDLZSA-N 377.354 3.024 30 40 GGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1cc(OC)ccc1OC)C2=O 6072788 CQJLIGRYWYOEHU-FGHSJCFPSA-N 384.384 3.260 30 40 GGEB biogenic COc1cc(C#N)ccc1OC(=O)c1nn(-c2ccccc2Cl)c(C)cc1=O 7781880 YVLCBLCFBHIUTP-UHFFFAOYSA-N 395.802 3.294 30 40 GGEB COc1ccc(OCC(=O)Nc2c(C#N)c(C)c(C)n2-c2cccnc2)cc1 9061074 FPJGJCUZNUQOQQ-UHFFFAOYSA-N 376.416 3.387 30 40 GGEB COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(=O)O)c1 19904213 SVOJETXYMVHBLE-IBGZPJMESA-N 395.411 3.057 30 40 GGEB C=CCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1 22277701 VIPRLBIKFQEVMN-UHFFFAOYSA-N 392.908 3.454 30 40 GGEB CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nnc1-c1ccncc1 23104403 YLGMGBWARMPAET-ZDUSSCGKSA-N 384.490 3.094 30 40 GGEB CC(C)N1CC(=O)N(/N=C/c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 58883636 KBQPRCGTHFCGCZ-ATASCALFSA-N 397.391 3.088 30 40 GGEB CC(C)[C@@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc2c(c1)OCCO2 89801742 WGPFJMXGNKKNPP-JOCHJYFZSA-N 380.444 3.416 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc([N+](=O)[O-])cc2)no1 102805285 LCARDSVCOURTCI-UYTDBDHRSA-N 395.327 3.111 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225085928 CZMDRUJNHIPJQT-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB CN(C)c1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408533735 KPJTVRLUYFVTKB-MRXNPFEDSA-N 384.823 3.008 30 40 GGEB N#Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCC2 408622216 OPYVZPKEXBLZAP-UHFFFAOYSA-N 385.470 3.006 30 40 GGEB COc1cccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3C)c(=O)c2C#N)c1 409197887 RBKFVRYXKNVCDX-KHPPLWFESA-N 387.395 3.290 30 40 GGEB COc1cccc(/C=C\c2c(C(=O)O)nn(-c3ccc(F)cc3)c(=O)c2C#N)c1 409203837 ZUKPUQXCKPDFIN-YHYXMXQVSA-N 391.358 3.120 30 40 GGEB N#Cc1ccc2c(c1)CCC[C@H]2NC(=O)NC1CCN(c2nccs2)CC1 520550323 JPROKEWHDOFKQQ-GOSISDBHSA-N 381.505 3.360 30 40 GGEB CC(C)N1CCN(c2ccc(C(=O)Nc3nc4ccc(C#N)cc4[nH]3)cc2)CC1 1131674018 HADVONLRDZEWPH-UHFFFAOYSA-N 388.475 3.217 30 40 GGEB Cc1nc(SCC(=O)N(C)Cc2ccc3c(c2)OCCO3)c(C#N)c(C)c1C 7097360 FYDZQQRABBCDEM-UHFFFAOYSA-N 397.500 3.400 30 40 GGEB C[C@H]1CN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)CC[C@@H]1O 12224611 LUOQHHOPNDKBMD-MBSDFSHPSA-N 385.467 3.115 30 40 GGEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3cccc(C(F)(F)F)c3)c(=O)n2c1 16752173 OGHTXEDWCGOETC-UHFFFAOYSA-N 396.328 3.198 30 40 GGEB COc1ccc(-c2nc(CN3CCN(c4ncccc4C#N)CC3)cs2)cc1 22977746 VXTVJQOEZUNQKQ-UHFFFAOYSA-N 391.500 3.408 30 40 GGEB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1csc2ccccc12 575622141 WJBVPQUHHFKHHA-SFHVURJKSA-N 392.484 3.131 30 40 GGEB O=C([C@H](F)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 627281295 HBGNDVDTAYRGGT-PVQJCKRUSA-N 376.068 3.493 30 40 GGEB CCOc1ccc(Br)cc1/C=N/NS(=O)(=O)c1ccccc1 1051830 LABJBWNWCXRFNE-GZTJUZNOSA-N 383.267 3.160 30 40 GGEB COc1ccc(/N=C2\S[C@H](C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1 2727642 ZKHBQYJOJJLWJR-JVMRMLDLSA-N 386.429 3.315 30 40 GGEB C=CCNC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 4995737 OUPBFRSIYZXQRG-UHFFFAOYSA-N 399.299 3.491 30 40 GGEB CCCCNC(=S)N/N=C/c1ccc(OC(=O)c2ccco2)c(OC)c1 6203818 HQGSTNBLXOAUQP-UDWIEESQSA-N 375.450 3.106 30 40 GGEB Cc1nn2c(nnc3c(=O)n(-c4ccccc4C#N)ccc32)c1-c1ccccc1 12409426 AJZZVGQPHXGUSU-UHFFFAOYSA-N 378.395 3.276 30 40 GGEB COc1cc([C@@H]2NC(=NC#N)NC(C)=C2C(C)=O)ccc1OCc1ccccc1 408731075 KIWLOJLVWWIYFA-NRFANRHFSA-N 390.443 3.208 30 40 GGEB COc1ccc(NC(=O)COc2ccc(Br)cc2/C=N\O)cc1 409377489 IRXONZKPWOMPFE-NVMNQCDNSA-N 379.210 3.283 30 40 GGEB N#Cc1cccc(NC(=O)c2cc(N3CCCCS3(=O)=O)ccc2Cl)c1 12195957 VFBIOOSISHCWJP-UHFFFAOYSA-N 389.864 3.394 30 40 GGEB CC(C)N(C(=O)C[n+]1ccc(C(=O)NCc2ccccc2)cc1)c1ccccc1 1903214 FDNYKRIBOAWTBK-UHFFFAOYSA-O 388.491 3.346 30 40 GGEB CSc1ncc(Cl)c(C(=O)[C@@H](C#N)c2nc(=O)c3cc(C)cc(C)c3[nH]2)n1 5074905 KJZOLVWHUCVZNE-LLVKDONJSA-N 399.863 3.195 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1ccncc1 6785066 RCHVVDJNTCRZPG-LFVOPCPISA-N 397.475 3.137 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1OC 408803753 TULGLAVXGPCZEZ-SFQUDFHCSA-N 392.411 3.235 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)c(=O)c21 12113565 FGKCDCUWMPUGMH-OKILXGFUSA-N 398.532 3.412 30 40 GGEB COc1ccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c(OC)c1 85409065 IWGBJRKZJCEANA-KRWDZBQOSA-N 390.399 3.126 30 40 GGEB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)COc1ccc(C#N)cc1 3320117 FDZIJUMPHHKJKA-UHFFFAOYSA-N 380.444 3.308 30 40 GGEB COc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccccc3C)c(=O)c2C#N)cc1 409202430 SCXCPFDQPUSJPK-XFXZXTDPSA-N 387.395 3.290 30 40 GGEB CN(c1ccc(Cl)c(C(=O)Nc2ccc(CC#N)cc2)c1)S(C)(=O)=O 222493248 UHIOLORZLCRFPV-UHFFFAOYSA-N 377.853 3.054 30 40 GGEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccccc1F)S(C)(=O)=O 220591457 FVPOHIPDRHRXTR-KRWDZBQOSA-N 389.452 3.075 30 40 GGEB N#Cc1ccc(N2CCC(NC(=O)C[C@H]3OCCc4ccccc43)CC2)cc1 583652261 VNUTVKMSRVZSSO-JOCHJYFZSA-N 375.472 3.347 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3cccc(Cl)c3)[C@]2(C#N)C(=O)O)cc1 252516089 QAPGDBRNYPOZDN-NUJGCVRESA-N 375.833 3.183 30 40 GGEB N#Cc1ccc(CSC[C@@H](O)[C@@H](O)CSCc2ccc(C#N)cc2)cc1 12374468 IHGDHXMKNPQDTR-BGYRXZFFSA-N 384.526 3.318 30 40 GGEB N#Cc1c(NC(=O)c2cccs2)n(CCCO)c2nc3ccccc3nc12 3196274 NECUEOQKFIKJQR-UHFFFAOYSA-N 377.429 3.152 30 40 GGEB CC(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5303149 WOKHJGHJZFGSLS-MKRGEVTBSA-N 380.535 3.067 30 40 GGEB CCOc1ccc(C(=O)/C=C/Nc2cc(C(=O)OC)ccc2C(=O)OC)cc1 51318822 VCVJLCXVEQZYCT-VAWYXSNFSA-N 383.400 3.467 30 40 GGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 47011174 ALPGXXPIOIJDPR-FQEVSTJZSA-N 383.879 3.106 30 40 GGEB CSc1ccc(C(=O)COC(=O)C2CCN(c3ccc(C#N)cn3)CC2)cc1 22313245 QZCGIFUGTOFHLJ-UHFFFAOYSA-N 395.484 3.318 30 40 GGEB C=CCOc1ccc(-c2nonc2NC(=O)COc2ccccc2[N+](=O)[O-])cc1 12409971 YYGUNNLTTZUDQB-UHFFFAOYSA-N 396.359 3.227 30 40 GGEB Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(-c2cccc(Cl)c2)n1 57526963 CPXWCZIADDODND-UHFFFAOYSA-N 378.819 3.383 30 40 GGEB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 48264867 FSVZFWKJQMKJDO-YOEHRIQHSA-N 393.509 3.015 30 40 GGEB CCc1nc(SCC(=O)NCCC#N)nc(N)c1-c1ccc(Cl)cc1 12741130 JWOUMVPACQZXNI-UHFFFAOYSA-N 375.885 3.064 30 40 GGEB Oc1ccc(Cl)cc1/C=N\NC(=S)N/N=C/c1cc(Cl)ccc1O 104388449 DJCOGVNAADFKNZ-CLLFQMGYSA-N 383.260 3.237 30 40 GGEB N#Cc1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 12875716 IUCZBORJQWEJAI-UHFFFAOYSA-N 375.475 3.047 30 40 GGEB COc1ccc(/C=N/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccccc2)cc1 3664165 ZNMVGHHYRVOWAY-SSINPHCUSA-N 383.429 3.008 30 40 GGEB CCC(=O)N1CCN(c2ccc(/N=C/c3cccc([N+](=O)[O-])c3O)cc2)CC1 6308231 DWEKLIBRXVOVRK-KGENOOAVSA-N 382.420 3.110 30 40 GGEB O=C1C=C(S(=O)(=O)O)c2ccccc2/C1=N\Nc1c(O)ccc2ccccc12 17885922 CNOZFYGQAXEOTD-LSDHQDQOSA-N 394.408 3.173 30 40 GGEB in-vitro C=CCc1cc(C(=O)NCc2nc(-c3ccc(OC)cc3)no2)ccc1OC 218659947 NINZJKRVWSSUCB-UHFFFAOYSA-N 379.416 3.412 30 40 GGEB COc1ccc(Br)c(C(=O)NCC#CCN(C(C)C)C(C)C)c1 77197633 GTFOMMFAZGDQFU-UHFFFAOYSA-N 381.314 3.310 30 40 GGEB C=CCn1c(SCC(=O)N2C[C@H](C)O[C@H](C)C2)nnc1C1CCCCC1 12920225 WFDMXWDXJRCHCX-GASCZTMLSA-N 378.542 3.240 30 40 GGEB COc1ccccc1-c1nnc(SCC(=O)N(CC#N)c2ccccc2)n1C 6072140 WSNJAWZHQPLOSS-UHFFFAOYSA-N 393.472 3.140 30 40 GGEB C=CCOc1ccc(CN(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 6979504 SBBJTVVJIBDHQU-QGZVFWFLSA-N 393.487 3.447 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@H]1c1ccccc1 5408678 CDSUBEHMDYQEET-LFVOPCPISA-N 382.435 3.199 30 40 GGEB C[C@H]1CCCN(S(=O)(=O)c2csc(C(=O)Nc3ccc(C#N)cc3)c2)C1 6680968 VGSSWQVREOEYKL-ZDUSSCGKSA-N 389.502 3.293 30 40 GGEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1 12601822 RPKAWTYZQZHKCV-JENIJYKNSA-N 388.581 3.358 30 40 GGEB biogenic,in-vitro CC[C@H](C)c1ccc(NC(=O)CN(c2cccc(C#N)c2)S(C)(=O)=O)cc1 12857111 YHXNAWNRYJTMGS-HNNXBMFYSA-N 385.489 3.476 30 40 GGEB C#CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1 20729187 ZUFPUARJRUZCSB-SFHVURJKSA-N 391.456 3.407 30 40 GGEB COc1cccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(O)c2)c1 21259500 KQXOVBPLQTWSTL-WBVHZDCISA-N 393.439 3.414 30 40 GGEB Cc1nnc(N2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)c(C#N)c1C 26775689 VGDCDVVUEMWSDH-UHFFFAOYSA-N 391.397 3.186 30 40 GGEB CCOc1ccc(/C(O)=N/S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC 40162369 ZYGWPNKUZSRPQK-UHFFFAOYSA-N 394.405 3.004 30 40 GGEB N#CC1(C#N)[C@H](c2cccc([N+](=O)[O-])c2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102716808 FGHKBSLLXQNWTG-LVFSCSRESA-N 377.360 3.104 30 40 GGEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2ccccc2)s1 102802850 QHNZWSSIOWWGPH-IBOXJLQUSA-N 377.425 3.473 30 40 GGEB C[C@]12Cc3c([nH]c(=O)c(C#N)c3C#N)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 105368883 RONRYQJFHZPPMI-SOXVNSKWSA-N 391.515 3.437 30 40 GGEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cccc(C)c1)S(C)(=O)=O 220503323 ANJUNAHXCYAUJT-IBGZPJMESA-N 385.489 3.244 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OC 409244930 KRFGYTFBJBLPSV-RVDMUPIBSA-N 395.864 3.433 30 40 GGEB COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Br)c1OC 108268717 NJPXYHGDDCDBCW-GRSHGNNSSA-N 393.237 3.456 30 40 GGEB COc1c2c(cc3c1[C@@H](C(=O)Nc1c(C)cccc1C)[N+](C)(C)CC3)OCO2 2134540 LFEPSMCRVXXJBJ-IBGZPJMESA-O 383.468 3.353 30 40 GGEB biogenic N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O 409173303 IIJJQNPIGHPTEH-LZYBPNLTSA-N 381.369 3.409 30 40 GGEB O=[N+]([O-])c1ccc(NN/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1 4154647 ZMEDKDZDEDDTQW-UHFFFAOYSA-N 396.428 3.347 30 40 GGEB C=CCc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc(OCC)c1OC 409348991 UJCJDBAMOUJFIP-ZROIWOOFSA-N 393.486 3.108 30 40 GGEB C=CCN1C(=O)S/C(=C\c2cn(CC(=O)N3CCCC3)c3ccccc23)C1=O 409149126 XUTFYMFYJDLRNG-PDGQHHTCSA-N 395.484 3.486 30 40 GGEB C=CCOc1c(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)cc1OC 409349015 QIDOAFGULOPVFF-UHFFFAOYSA-N 385.807 3.211 30 40 GGEB C=CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CN(C(=O)CC)CCO1 72389271 OGBSXFHRZQFBPS-JOCHJYFZSA-N 398.528 3.267 30 40 GGEB Cn1ccc(CN2CCCC[C@@H]2c2csc(=Nc3ccc(C#N)nc3)[nH]2)n1 585294117 ODMBMHMQGXJSHT-GOSISDBHSA-N 379.493 3.036 30 40 GGEB COc1ccccc1C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccccc2C)S1 13069810 VVYBCEMJQNFBRT-QGZVFWFLSA-N 383.473 3.120 30 40 GGEB CCOc1ccccc1/C=N/N1CCN(/N=C/c2ccccc2OCC)CC1 1700743 BJVRABABNAJECB-GJHDBBOXSA-N 380.492 3.470 30 40 GGEB N#Cc1ccc(CSC[C@H](O)[C@@H](O)CSCc2ccc(C#N)cc2)cc1 12374467 IHGDHXMKNPQDTR-PMACEKPBSA-N 384.526 3.318 30 40 GGEB C=CCNc1nc(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cs1 101271519 GRJMGRYHZHDKKZ-YJYMSZOUSA-N 377.510 3.325 30 40 GGEB CN(C(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)[C@H]1CCCc2ccccc21 32754811 KLUBMBFECJQDDD-FQEVSTJZSA-N 397.500 3.028 30 40 GGEB COc1ccc(Br)cc1/C=C/C(O)=N/S(=O)(=O)c1cccnc1 42323523 PKRCWAALSBYMFY-QPJJXVBHSA-N 397.250 3.211 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(F)cc2)o1 1019887 LKPXPBWWKRCSIH-YJBOKZPZSA-N 385.391 3.484 30 40 GGEB N#Cc1cccc(C(=O)N2[C@@H]3CC[C@@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 101323126 XMAPQZBMYBIWSJ-QZTJIDSGSA-N 380.469 3.168 30 40 GGEB Nc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@H](c3cccs3)CC1=O)N2 18200616 YHBZDJJXOOEOFL-APPDUMDISA-N 381.436 3.477 30 40 GGEB O=[N+]([O-])c1ccc2c(/C=N/NC(=S)NCc3ccccc3)c(O)ccc2c1 6282152 YANASLKZYICASQ-CIAFOILYSA-N 380.429 3.452 30 40 GGEB C#CCOc1cc(Br)c(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408930259 USJDRRYIEZVVNF-XUVFPMAOSA-N 395.278 3.002 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 1041822 RDIGLBMDYYXQSI-XDHOZWIPSA-N 385.401 3.476 30 40 GGEB COC(=O)c1ccc([C@@H]2[C@@H](C(C)=O)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 13479752 ROHAINIZEJOEFL-BHDDXSALSA-N 397.434 3.464 30 40 GGEB CCOc1cc(/C=N\N=C2/C(=O)Nc3ccc(Br)cc32)ccc1O 16688798 OKZHKEPSQHAPRA-OCKHKDLRSA-N 388.221 3.329 30 40 GGEB CCOc1cc([N+](=O)[O-])cc(/C=N/c2ccc(CN3CCOCC3)cc2)c1O 6464402 KYDDMSPADNURKW-FYJGNVAPSA-N 385.420 3.282 30 40 GGEB COc1ccc(/C=N/c2ccc(S(=O)(=O)Nc3cc(OC)ncn3)cc2)cc1 1434044 QZERKNAJLSOXFL-UDWIEESQSA-N 398.444 3.045 30 40 GGEB CC/N=C1\S[C@@H](CC(=O)Nc2ccc(Br)cc2)C(=O)N1CC 100887886 MRWWXWIFMVLVBF-JTFSYWPOSA-N 384.299 3.118 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3sc(C)nc3C)C(=O)C(=O)N2CCN(C)C)cc1 102874387 RXFPIETYVHYVGY-HVESIFNPSA-N 399.516 3.052 30 40 GGEB COc1ccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)cc1OC 872053 HZUQDHJTLMEQDL-UHFFFAOYSA-N 399.472 3.434 30 40 GGEB COCCCCN1C(=O)[C@@H](Oc2ccc(C#N)cc2)[C@@H]1c1cccc(OC)c1 58154901 MMOGLIZLNKXXLL-SFTDATJTSA-N 380.444 3.324 30 40 GGEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@]54C(C)=O)[C@@H]3C[C@H]3O[C@@]32C1 118936532 WACCZLHLEKNLBI-AYQWNGICSA-N 388.504 3.429 30 40 GGEB O=C1/C(=C/c2ccccc2O)N(Cc2ccncc2)S(=O)(=O)c2ccccc21 13734549 BEFKDUPNBCHEQH-AQTBWJFISA-N 392.436 3.216 30 40 GGEB CCOc1ccc(-n2cccc2C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 409404455 CVQDAIXXWAXJGF-HZVDNRATSA-N 375.428 3.017 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(C)o1 6428348 FFHHLHVHSYFRTK-DJJJIMSYSA-N 397.427 3.136 30 40 GGEB biogenic CC(C)[C@](C)(C#N)NC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 8943187 AKGFYIDHAWTSPA-NRFANRHFSA-N 396.516 3.274 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1csc2ccccc12 225698591 JFLHBFYBJVKBOF-MRXNPFEDSA-N 399.859 3.215 30 40 GGEB N#Cc1ccc(CCC(=O)N[C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)cc1 206787360 LKLQFPPWRBQAMI-KRWDZBQOSA-N 388.393 3.300 30 40 GGEB COc1ccc(-c2nc(NCc3ccc4c(c3)OCCO4)nc(O)c2C#N)cc1 40129991 WNTIGCRUOOIYTA-UHFFFAOYSA-N 390.399 3.113 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102799176 TYOXNODVSHSVFH-FPUHYBSFSA-N 381.403 3.426 30 40 GGEB N#CCCN(CCN1CCOCC1)C(=S)Nc1ccc(Cl)c(Cl)c1 25540973 TUSFAFAXYYIKQG-UHFFFAOYSA-N 387.336 3.238 30 40 GGEB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)c1 70462174 ZUMWFKCGZMEVFD-UHFFFAOYSA-N 392.503 3.300 30 40 GGEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccc(C)c(Cl)c3)c(=O)n2c1 6809430 DOZSQFUWNMVWQR-UHFFFAOYSA-N 376.803 3.141 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccncc1 4906213 RMNIBWFHQVPMQO-UHFFFAOYSA-N 396.432 3.165 30 40 GGEB CN1CCC(=NNc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)CC1 6949815 BWCWOFAWDHAFPT-UHFFFAOYSA-N 380.500 3.099 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(OC)c2)C1=O 981895 YAQDUIRMXOFDSH-MDWZMJQESA-N 397.836 3.123 30 40 GGEB CCOc1ccccc1-n1cc(C(=O)c2cc(F)ccc2O)cc(C#N)c1=O 3262697 POJGYYPQPBAOOA-UHFFFAOYSA-N 378.359 3.184 30 40 GGEB CC(=O)C(C(=O)Nc1cccc(C(F)(F)F)c1)=C1SC(C(=O)O)S1 62716062 KRWKWMIIIBNOJW-UHFFFAOYSA-N 377.365 3.335 30 40 GGEB C=CCN(C(=O)c1ccc(Cn2cncn2)cc1)c1nc2c(s1)CCCC2 29026909 WDWCAHHBSLGMDU-UHFFFAOYSA-N 379.489 3.495 30 40 GGEB Cc1nc(-c2ccc(CNC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)o2)cs1 12980535 PJMLDQPFZMLFNO-UHFFFAOYSA-N 396.472 3.137 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccncc1)C(C(=O)OC(C)C)=C(C)N2 4292307 JSSYIRAHCHOTMR-HNNXBMFYSA-N 398.488 3.226 30 40 GGEB C=C(C)COc1ccc2c(C)c(CCC(=O)NCCc3c[nH]cn3)c(=O)oc2c1 6624657 IQBDDKFEUXJASK-UHFFFAOYSA-N 395.459 3.071 30 40 GGEB biogenic C=C(C)COc1cc2oc(=O)c(CC(=O)Nc3nnc[nH]3)c(C)c2cc1Cl 9303982 MPUCBXHFLKWICN-UHFFFAOYSA-N 388.811 3.009 30 40 GGEB C=CCn1c(SCc2cc(=O)c(O)co2)nc2sc(C)c(C)c2c1=O 7781212 TVEGUUNLUDMGKD-UHFFFAOYSA-N 376.459 3.212 30 40 GGEB CCOC(=O)C1=C(NC(=O)CC)S/C(=C\c2ccc(O)c(Cl)c2)C1=O 409081313 KJJGUWDFWJHKRM-WQLSENKSSA-N 381.837 3.003 30 40 GGEB CCCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O 96019890 XBQLXDNPTMNNDF-UHFFFAOYSA-N 395.507 3.409 30 40 GGEB C=CCSc1ccccc1NC(=O)CN1CCN(Cc2cc(C)no2)CC1 22253788 YZWNCMNYYWDELC-UHFFFAOYSA-N 386.521 3.017 30 40 GGEB N#Cc1ccc(F)c(CN2C[C@@H](C(=O)N3CCCCC3)Oc3ccccc32)c1 58265077 ZVHZHNKKQFTLPE-NRFANRHFSA-N 379.435 3.477 30 40 GGEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccccc1 2407675 BMSRJNZTLBDBQR-ZMOGYAJESA-N 380.411 3.363 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1F 4476369 WEBSGQILGMVCPM-MRXNPFEDSA-N 389.423 3.325 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C1=O 4690633 JJBCNOXFSXBWTJ-GDNBJRDFSA-N 395.371 3.119 30 40 GGEB COc1cc(/C=N/Nc2[nH]c(=O)nnc2C)ccc1OCc1cccc(Cl)c1 4749622 XOKYBPIQAAYNGM-UFFVCSGVSA-N 399.838 3.160 30 40 GGEB COc1cc(CN(C)CC(=O)Nc2cccc(C#N)c2)ccc1OC(F)F 7976917 GAJGWOFGGHWXTM-UHFFFAOYSA-N 375.375 3.239 30 40 GGEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1OC 408868142 NMKUODAGJWBFRQ-KAMYIIQDSA-N 396.374 3.066 30 40 GGEB CN/N=C(\C)[C@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841732 YCBFGMOJGGMQJD-TZUFMOBMSA-N 393.487 3.404 30 40 GGEB Cc1cc(Br)c(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)cc1C 409411107 CELAJBRIBBUKFV-UHFFFAOYSA-N 388.265 3.355 30 40 GGEB CCC(NOC/C=C/Cl)=C1C(=O)CC(C[C@@H](C)[S@](=O)CC)CC1=O 196068398 WALVSPYBSLAJMH-RBPZKKEJSA-N 375.918 3.020 30 40 GGEB in-vitro O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1cccs1 102932987 XUCOPGFHAVUPCG-SQUHQTGPSA-N 387.432 3.488 30 40 GGEB C=CCn1c(=S)sc2c(=O)n(CC(=O)NCCC3=CCCCC3)cnc21 12512698 GIKSLNCIDWJBDL-UHFFFAOYSA-N 390.534 3.182 30 40 GGEB Cc1cc(C)cc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)c1 102787695 CJRAOJHLSPCKDC-QOCHGBHMSA-N 385.489 3.369 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 170609143 MGALRRBCJAXUJN-HNNXBMFYSA-N 376.416 3.009 30 40 GGEB C#CCOc1ccc(Br)cc1/C=C(\Sc1nnc(C)[nH]1)C(=O)O 6130406 GBVAIUVXPTUCQE-JYRVWZFOSA-N 394.250 3.105 30 40 GGEB CCn1c(SCC(=O)N(CC#N)c2ccccc2)nnc1-c1ccncc1 5312261 MACDLFVLMBBRAJ-UHFFFAOYSA-N 378.461 3.009 30 40 GGEB C=CCSc1nnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1 6904999 RFYBCWNLDGBQJS-UHFFFAOYSA-N 382.898 3.228 30 40 GGEB COC(=O)COc1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)cc1OC 409097848 HORAMSWZOHXEGE-GZIVZEMBSA-N 383.326 3.107 30 40 GGEB COc1cccc(-c2noc(CNC(=S)Nc3ccc(CC#N)cc3)n2)c1 225822171 PSADYYSIEWLVER-UHFFFAOYSA-N 379.445 3.298 30 40 GGEB N#Cc1cc(Cl)ccc1-n1ccc(=NC(=O)NCc2noc3c2CCCC3)[nH]1 580598190 GJLVBKCXRRXSHK-UHFFFAOYSA-N 396.838 3.008 30 40 GGEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)c1 1775970155 DRVYWWJMPONGFB-HNNXBMFYSA-N 378.457 3.494 30 40 GGEB CCn1c(SCCC#N)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 7942562 NXGZCTYBMSODFP-UHFFFAOYSA-N 378.523 3.237 30 40 GGEB CN(C)CCCNc1oc(COc2ccc(Br)cc2)nc1C#N 1805409 KHCYPFVTTNDPST-UHFFFAOYSA-N 379.258 3.251 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc2ccccc12)c1cccs1 27332952 AHIBMUSBJKZIHX-GOSISDBHSA-N 379.437 3.472 30 40 GGEB C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccccc2C)C1=O 2111602 ZKLQCRXEVZDHLA-REWPJTCUSA-N 385.467 3.347 30 40 GGEB biogenic CN(C(=O)COC(=O)/C=C/c1ccc2ccccc2n1)C1(C#N)CCCCC1 6121657 MNJVZTUWODXXSC-VAWYXSNFSA-N 377.444 3.476 30 40 GGEB CC(=O)/C(C(=O)OC(C)C)=C1/N=C(NC(=O)c2ccc(F)cc2)c2ccccc21 4368953 ABZWNXQQPRBSII-HNENSFHCSA-N 394.402 3.268 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 16927703 PUFHTIYGAZNXMA-STQMWFEESA-N 393.944 3.326 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C/c2cc3c(C)nn(-c4ccccc4)c3nc2Cl)n1 26780177 BDPICEHTZVZQCW-UFFVCSGVSA-N 393.838 3.220 30 40 GGEB C/N=C1/S/C(=C\c2cc(C)n(-c3ccccc3C(=O)OC)c2C)C(=O)N1C 18254835 JSEVTEGAFAFOOU-YBLIXAOFSA-N 383.473 3.413 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1C 32506048 RRCHQUSIALGYBU-SMXHQDLGSA-N 380.535 3.095 30 40 GGEB CC(C)(C)C(=O)/C=C1/SCC(=O)N1CC(=O)N[C@H]1CCCc2ccccc21 96514081 NEOWAZNDLOWZDJ-YODDIOPGSA-N 386.517 3.212 30 40 GGEB O=C(C[C@H]1S/C(=N/N=C/c2ccccc2O)NC1=O)c1ccc(Cl)cc1 6059484 DUYPLEZOMHYGBV-OVEPSTSESA-N 387.848 3.240 30 40 GGEB CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1 1595805 GBPSKCBYUOUFLG-GIJQJNRQSA-N 386.260 3.264 30 40 GGEB C=CCN1C(=O)/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C(=O)NC1=S 208464492 YAVSAZGUQAHTOB-BOPFTXTBSA-N 395.528 3.439 30 40 GGEB C[C@@H]1CN(c2nc3c(cc2C#N)COCC3)CCN1Cc1ccc(F)cc1F 2086938276 KFEGNJAYYBFNNH-CQSZACIVSA-N 384.430 3.015 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 104308191 XRSAWAPWQKXSCX-JZJYNLBNSA-N 391.518 3.132 30 40 GGEB C=CCN1CCN([C@@H](c2ccc(C)cc2)c2nnnn2C2CCCCC2)CC1 20121614 MGZSYORKHMOBCM-NRFANRHFSA-N 380.540 3.380 30 40 GGEB O=[N+]([O-])c1cc(Cl)cc(/C=N/CC2(N3CCOCC3)CCCCC2)c1O 6509884 RJGDSWGJEFYOCX-UDWIEESQSA-N 381.860 3.408 30 40 GGEB C#CCN1CCN(C(=O)Nc2cccc(COCCOc3ccccc3)c2)CC1 95446513 NYUDIANFXRLBGA-UHFFFAOYSA-N 393.487 3.065 30 40 GGEB COc1ccc(-c2ccc(/C=N\N3C(=O)CSC3=S)o2)c([N+](=O)[O-])c1 409338208 FSWKSSKJTGUCCP-APSNUPSMSA-N 377.403 3.058 30 40 GGEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@H]1C=Nc1ccccc1C(F)(F)F 408538179 YYNMKJQHBMARCW-JTQLQIEISA-N 393.296 3.446 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218367048 DGFJPNMCYIRXDB-WSTZPKSXSA-N 387.432 3.147 30 40 GGEB COc1ccc(-n2nc3c(N)c(C#N)c(-c4ccccc4)cc3c(C#N)c2=O)cc1 5514043 OKJVVFQDBIGXQW-UHFFFAOYSA-N 393.406 3.387 30 40 GGEB C/C(=N\[C@H]1C(=O)N(c2ccccc2)N(C)[C@H]1C)c1cc2ccccc2oc1=O 4262742 DVJAATZFODMYRL-BUFPBVFASA-N 375.428 3.253 30 40 GGEB CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1/C(C)=N/Cc1ccncc1 101392229 GZCOYUCDOZDRGO-HYARGMPZSA-N 379.420 3.431 30 40 GGEB COc1cccc(-c2nc(C#N)c(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)o2)c1 32124304 HPLMNLKPEQASHK-ZBFHGGJFSA-N 388.427 3.007 30 40 GGEB biogenic CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(Cl)cc2)C3=O)CC1 22575475 UHEQQBPYLSJKDT-UNOMPAQXSA-N 384.863 3.409 30 40 GGEB CC1CCN(S(=O)(=O)c2csc(C(=O)Nc3ccccc3C#N)c2)CC1 6680705 YIZKTFSQOMLHNH-UHFFFAOYSA-N 389.502 3.293 30 40 GGEB COc1ccc(C(=O)/C=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1 100331583 FJRPLFUOPHTWCQ-OUKQBFOZSA-N 393.443 3.310 30 40 GGEB N#Cc1cccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCCCC3)c1 71327996 FQMZBBZBWUUMNM-UHFFFAOYSA-N 386.455 3.489 30 40 GGEB C=CCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)cc1 5478248 NVUOYHRRUBYYFD-WJDWOHSUSA-N 397.481 3.193 30 40 GGEB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)C1=O 409096547 JYUQZVRNWNZAOS-UJFYRASASA-N 382.397 3.416 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(C)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252513874 AMPWPPVNXAQBOG-SFHLNBCPSA-N 383.469 3.316 30 40 GGEB C[C@]12CN(C(=O)c3ccc(I)o3)[C@]3(C#N)C[C@H]1CC[C@]23C 1051960 NZDNVISCKUUNQK-NWLYGAKOSA-N 396.228 3.429 30 40 GGEB O=C(O)c1ccc(N/N=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)cc1 4743302 DPDVRZICPWKPHQ-FRKPEAEDSA-N 380.154 3.207 30 40 GGEB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 8771866 UJYLXXLXFUMFSA-WMLDXEAASA-N 378.403 3.301 30 40 GGEB COC(=O)c1sc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c(C#N)c1C 995879 LOUZLYNJBWWBEM-SOFGYWHQSA-N 386.429 3.384 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(OC)c1 3094441 CZDJJOSUJHDWKE-HXUWFJFHSA-N 399.487 3.489 30 40 GGEB CCc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)o1 25045357 JCLXDNQBJBYSCJ-UHFFFAOYSA-N 389.477 3.345 30 40 GGEB N#CCCN1CCN([C@@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 20719900 BELIAYVNPMLCOJ-JOCHJYFZSA-N 388.471 3.492 30 40 GGEB COc1ccc(Cc2nnc(SCC(=O)Nc3sccc3C#N)o2)cc1 5788595 BXBMUONTPKESQZ-UHFFFAOYSA-N 386.458 3.333 30 40 GGEB N#Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c(F)c1 408629103 ZIKQJDPBRDVBCF-UHFFFAOYSA-N 388.786 3.221 30 40 GGEB C=CCNC(=S)N/N=C\c1ccc(OCCOc2ccccc2C)c(OC)c1 33927662 SGZLBMXRMPSPHD-HAHDFKILSA-N 399.516 3.445 30 40 GGEB CN1C(=O)C[C@@H](CNCc2ccc(C#N)cc2)[C@@H]1c1cnn(Cc2ccccc2)c1 511062854 LVIUNQSYACKTQO-XUZZJYLKSA-N 399.498 3.112 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409132430 ZUKCRSHYXSRNON-LFIBNONCSA-N 379.372 3.253 30 40 GGEB C#CCOc1cccc(CN2CCC(O)(Cn3ccc4ccncc43)CC2)c1 72397032 AHIARLIGYNBRTL-UHFFFAOYSA-N 375.472 3.075 30 40 GGEB CCN(CCC#N)c1ccc(S(=O)(=O)NC2CCC(C)CC2)cc1[N+](=O)[O-] 78998701 HHPGICFVLMEKFL-UHFFFAOYSA-N 394.497 3.192 30 40 GGEB CCOc1cccc(/C=C/C(=O)c2ccc(OCC(=O)O)c(OC)c2)c1OC 13351352 PIUZIMNRPHZOGE-CSKARUKUSA-N 386.400 3.462 30 40 GGEB COc1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c(OC)c1 14608175 AEGQQNKWZSCYAN-FKIZINRSSA-N 392.415 3.304 30 40 GGEB COC(=O)c1ccc(/C=C/C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1 4598246 LUYGWMWDYXVZNA-XBXARRHUSA-N 379.324 3.384 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Br)CC(=O)N2 4944226 JEWGQHPFGKDQDN-SNVBAGLBSA-N 392.278 3.285 30 40 GGEB N#Cc1cc2c(nc1SCC(=O)N1CCc3ccccc3C1)CCCC2=O 4948978 SXPJEIILOKTTGZ-UHFFFAOYSA-N 377.469 3.149 30 40 GGEB C/C(=N\NS(=O)(=O)c1ccccc1)c1cccc(NC(=O)c2ccco2)c1 5382170 XMDOOIZYUXVQLX-KGENOOAVSA-N 383.429 3.234 30 40 GGEB COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@H]2c2ccc(OC)c(OC)c2)c1 5668974 WAGVEUNGBJXODD-LJQANCHMSA-N 383.400 3.201 30 40 GGEB CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2C#N)CC1 8993769 SSBBDPYTUPEKOD-UHFFFAOYSA-N 397.500 3.012 30 40 GGEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)N1CCC[C@H](CO)C1 12224635 VCKCSPHOXDIQQZ-FQEVSTJZSA-N 385.467 3.117 30 40 GGEB COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1C 18181673 FKXLYBFRCPUMMH-BWORXHKJSA-N 387.436 3.424 30 40 GGEB COc1cc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)Nc3ncnn32)ccc1O 18197622 RCIXLYFJZGXGKD-CWTRNNRKSA-N 394.456 3.470 30 40 GGEB C=CCNC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22277890 SCHUHKBTPGRMOG-UHFFFAOYSA-N 392.908 3.454 30 40 GGEB N#CCOc1ccc(NC(=O)c2cn(-c3ccccc3C(F)(F)F)nn2)cc1 23176901 QQYQHIZYEMAZNP-UHFFFAOYSA-N 387.321 3.441 30 40 GGEB Cc1cccc(N2CCN(CC(=O)Nc3sc4c(c3C#N)CCC4)CC2)c1 27382318 FWISRTBFLAORPN-UHFFFAOYSA-N 380.517 3.178 30 40 GGEB CCOC(=O)[C@@H](C#N)[C@@H](c1ccc(OC)cc1)N1CCN(c2ccccc2)CC1 31659641 JBJKHDDJGFHUBZ-FCHUYYIVSA-N 393.487 3.261 30 40 GGEB Cc1ccc2[nH]c(C(=O)NCCCc3nn(-c4ccccc4)c(N)c3C#N)cc2c1 32827965 XHNJWLFKVLBCGG-UHFFFAOYSA-N 398.470 3.479 30 40 GGEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)cc1 35242845 RHKVMBGBDRJTCR-UHFFFAOYSA-N 385.489 3.498 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 48461805 YYKNWKBALRBNLM-LSDHHAIUSA-N 377.393 3.046 30 40 GGEB COc1ccccc1N=P(c1ccc(/C=N/N(C)C)o1)(N(C)C)N(C)C 89310342 WJJMRXXBMIMHEY-XMHGGMMESA-N 377.429 3.295 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 242463632 DGFJPNMCYIRXDB-NLWGTHIKSA-N 387.432 3.147 30 40 GGEB C=CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccccc2CC)C1=O 408871703 ZFCMXBNTXSAGLD-VKAVYKQESA-N 376.412 3.480 30 40 GGEB CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCC(=O)OC 10119082 AJPAHANSZHBLPC-WSDLNYQXSA-N 376.840 3.414 30 40 GGEB C=CCSc1nnc(NC(=O)c2ccc(OCc3nonc3C)cc2)s1 27795327 LETOJOADIVEFLW-UHFFFAOYSA-N 389.462 3.339 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCCc1ccc(-n2cccn2)cc1 10821019 DLTCZSWCVPYESX-UHFFFAOYSA-N 385.427 3.409 30 40 GGEB O=c1c(/C=N/C[C@@H]2CCCO2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1 13638835 UJSXSUFXEXEWDH-OVBDPADQSA-N 392.415 3.339 30 40 GGEB CSc1ccc(/C=N/c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1 4977793 MMCZMQBWONEAPJ-XMHGGMMESA-N 376.503 3.180 30 40 GGEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N[C@H](C)c1ccc(F)cc1 7564509 SWRZIZQBPLYBFR-ZIAGYGMSSA-N 397.406 3.101 30 40 GGEB NC(=S)N/N=C(\C(=S)Nc1ccc(Br)cc1)c1ccccc1 68572230 FGJQEQVFDSPKBY-UYRXBGFRSA-N 393.335 3.426 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC(=O)O)C1=O 33308978 SGVAWENRQGMMTG-KPKJPENVSA-N 398.234 3.135 30 40 GGEB CC(C)(C)OC(=O)n1cnc(C#CC#Cc2cn(C(=O)OC(C)(C)C)cn2)c1 953101208 PYEUSSVKSZOJAX-UHFFFAOYSA-N 382.420 3.049 30 40 GGEB CCOc1ccc(/C=N/O[C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 20858213 YAHNVHBACYBHIY-DZUMZMOTSA-N 387.392 3.380 30 40 GGEB Cc1nc(SCC(=O)N2CCN(c3ccccc3F)CC2)c(C#N)c(C)c1C 12533494 UIBFNVGXUMMAPB-UHFFFAOYSA-N 398.507 3.459 30 40 GGEB C=CCN(CCc1ccccc1)C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 58168362 QCWYRXNEIXKKHI-UHFFFAOYSA-N 377.419 3.243 30 40 GGEB Cc1ccccc1-n1c(C)nnc1SC[C@H](O)COc1ccc(C#N)cc1 14053133 NALDWLWUBHYNEE-QGZVFWFLSA-N 380.473 3.288 30 40 GGEB NC1=NN(c2ccccc2)C(=O)/C1=N/Nc1ccc(Cl)c(C(F)(F)F)c1 5450668 YRLZWWBGHVQYDJ-YDZHTSKRSA-N 381.745 3.446 30 40 GGEB NC(=S)N/N=C/c1cc(Br)ccc1OCCOc1ccccc1 4677342 HXYIRNNOFHMNGD-YBFXNURJSA-N 394.294 3.074 30 40 GGEB COc1ccc(C(=O)/C=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(F)c1 6641138 ZIGHFXIZKZYFQM-XVNBXDOJSA-N 386.379 3.475 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1cccs1 6812687 LNUDZIDFQAZMHY-SELCWUDQSA-N 396.468 3.478 30 40 GGEB CCOc1cc(/C=C2/CS(=O)(=O)c3ccc(F)cc3C2=O)ccc1OC 96765585 GOCZLICCAWTUAG-JYRVWZFOSA-N 376.405 3.287 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(F)c1 225112521 JHXYGQNVGMMAPR-UHFFFAOYSA-N 393.436 3.311 30 40 GGEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccccn1 13550297 AMCQDZUENNMXGP-IBGZPJMESA-N 397.475 3.293 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cccc(OC)c21 100910088 HUFIQYORDZATAC-MRCUWXFGSA-N 382.441 3.103 30 40 GGEB CCn1c(=O)c(/C(C)=N/c2ccccc2S(=O)(=O)O)c(O)c2ccccc21 4273453 NOJHCINFNLDBSP-UDWIEESQSA-N 386.429 3.114 30 40 GGEB Cc1ccccc1-n1nnnc1SCC(=O)Nc1sc2c(c1C#N)CCC2 5352236 DQFBHWKJAHYOBC-UHFFFAOYSA-N 396.501 3.123 30 40 GGEB N#Cc1ccc(COC(=O)CCN2c3cccc4cccc(c34)S2(=O)=O)cc1 6584341 JNYWNDRDKWSOKS-UHFFFAOYSA-N 392.436 3.354 30 40 GGEB Cn1c(SCC(=O)Nc2ccc(CC#N)cc2)nnc1-c1ccc(F)cc1 7825941 YOPRJUFSDRYQKV-UHFFFAOYSA-N 381.436 3.418 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccccc1 13127186 SFIHHWSGLJCCGL-IBGZPJMESA-N 379.460 3.002 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 57124063 MJJWFEXCCWQWAM-UHFFFAOYSA-N 376.434 3.019 30 40 GGEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC 225872380 KHILZKSNUNZQEJ-UHFFFAOYSA-N 380.853 3.065 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 408619249 LHWFWUMZVLBCBO-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)CC)c1ccccc1F 4965250 VMCQLPOSPDQXLC-INIZCTEOSA-N 390.484 3.352 30 40 GGEB N#Cc1cccc(COc2cccc(CNCc3cccnc3-n3cncn3)c2)c1 47703611 SPEYAILGZAPEMO-UHFFFAOYSA-N 396.454 3.403 30 40 GGEB NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1c1ccc2c(c1)OCO2 3235223 RQQKPGYRZRWNQY-UHFFFAOYSA-N 395.415 3.395 30 40 GGEB N#Cc1ccc(CSCC(=O)NCc2cnn(Cc3ccccc3)c2)cc1 48232245 KGDCKCPRCMDROK-UHFFFAOYSA-N 376.485 3.353 30 40 GGEB C=CCN(CC(=O)Nc1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1C 2628365 XIUSFVPPZFHYRV-UHFFFAOYSA-N 376.453 3.258 30 40 GGEB COc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(C)cc2)c(C#N)c1=O 409206483 KANZOJIFJGUBCB-QXMHVHEDSA-N 387.395 3.290 30 40 GGEB C=CCN(Cc1cccs1)C(=O)CN1C(=O)[C@@H](C)N(c2ccc(C)cc2)C1=O 14183429 BPYVRFVIONDHEY-MRXNPFEDSA-N 397.500 3.428 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccccn1 5408686 KMNCXZHRKDSUQS-GHNGSUTGSA-N 399.878 3.108 30 40 GGEB C=CCn1cc(Br)c(NC(=O)c2ccn(-c3cccc(F)c3)n2)n1 95465512 HBTKTFBLQIBUSY-UHFFFAOYSA-N 390.216 3.409 30 40 GGEB C=CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 16008063 QCXBEKAVZQCLRM-CYBMUJFWSA-N 388.518 3.425 30 40 GGEB CNc1snc(C)c1C(=O)OCC(=O)N(CCC#N)c1cc(C)cc(C)c1 16974238 VNWNTJWRDVKESH-UHFFFAOYSA-N 386.477 3.214 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 409179526 RFDKVUKKNLPMQQ-ISRLQZAWSA-N 384.435 3.383 30 40 GGEB COc1ccc(-n2c(C)cc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)c2C)cc1 409403982 BGQCXPGPSTXWPP-SNHGZMDHSA-N 389.455 3.244 30 40 GGEB CC(F)(F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 220271206 HVFGVIXIPPDDBQ-UHFFFAOYSA-N 378.159 3.414 30 40 GGEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3cccc(-n4cccn4)c3)C2)c1 1775969743 JGJNKSTXCMQALW-GOSISDBHSA-N 387.443 3.070 30 40 GGEB CCCCN1C(=O)c2ccc(C(=O)Oc3ccc(C#N)cc3OC)cc2C1=O 3547194 IYLGZPIZLFPHGP-UHFFFAOYSA-N 378.384 3.182 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)c1 5408835 NXYOUMHUOWFJCX-IBGZPJMESA-N 390.395 3.462 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H](C)c2ccco2)nc2ccsc2c1=O 9112656 IPJGSTUIVVGNJJ-NSHDSACASA-N 375.475 3.207 30 40 GGEB COc1cc(/C=C(\C(C)=O)C(=O)N2CCOCC2)ccc1OCc1ccccc1 12661185 NUUQNXRHTHUODD-XSFVSMFZSA-N 395.455 3.105 30 40 GGEB COc1ccc(-c2nc(CN(C)S(=O)(=O)Cc3ccccc3C#N)co2)cc1 12774091 UUPZWIGNWMBHGY-UHFFFAOYSA-N 397.456 3.184 30 40 GGEB C=CCc1cc(/C=C2/NC(=O)NC2=O)cc(OC)c1OCc1ccc(F)cc1 14009286 JZPFALPIXJHRPT-LICLKQGHSA-N 382.391 3.322 30 40 GGEB Cc1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1Cl 20237482 UEISEWKSTQFVFU-UHFFFAOYSA-N 391.880 3.119 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2cccc(C)c2)C3=O)CC1 20518823 MXAWJJVJDOFBJW-STZFKDTASA-N 378.472 3.454 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 32507201 WIOYGERIOHGROO-YTLYVFJMSA-N 394.562 3.341 30 40 GGEB O=C(NCC#Cc1ccccc1)c1ccccc1SCC(=O)N1CCCC1 32904662 POYJSJXQZGFVPI-UHFFFAOYSA-N 378.497 3.183 30 40 GGEB CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)C(=O)N(O)C(=O)C[C@H]32)C1 33789239 LLUBVGAUALLRPJ-BZROMVQESA-N 375.465 3.235 30 40 GGEB O=S(=O)(/N=C(O)/C=C/c1c(F)cccc1F)c1ccc2c(c1)OCCO2 48461872 FIXFOSQBGNAENU-FNORWQNLSA-N 381.356 3.095 30 40 GGEB Cc1sc2nc([C@H](C)N3CCc4c(sc(N)c4C#N)C3)[nH]c(=O)c2c1C 89562896 YTVKNYAPPNKHRU-VIFPVBQESA-N 385.518 3.236 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccco1 102898430 ALOBKEYDIARBRO-GHNGSUTGSA-N 378.359 3.436 30 40 GGEB N#C[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218434406 RHKZGZVVHFEOJX-IKGGRYGDSA-N 382.268 3.435 30 40 GGEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1cccc(C(F)(F)F)c1 408529074 BZWJDFCHXSZYOM-AZHAFVHUSA-N 393.365 3.291 30 40 GGEB Cc1ccoc1C(=O)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1 12732237 SYZAEBMLYGJJKH-UHFFFAOYSA-N 375.450 3.091 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(Cl)cc1 5445188 SIXQPXICPAANHW-SELCWUDQSA-N 384.863 3.323 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3NC(=O)C2(C)C)n1 5643051 YRQBBDRLELLEOX-UHFFFAOYSA-N 380.473 3.426 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)CSc2nnc(Cc3csc(C)n3)o2)n1 7836750 QIOZLHBAAPXBRG-NSHDSACASA-N 391.503 3.159 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 1769076 WVRZJAMAOJQSRN-PZCAJWILSA-N 386.488 3.158 30 40 GGEB biogenic N#Cc1ccccc1CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O 409167478 MHJTYQIPGZDOCL-LZYBPNLTSA-N 381.369 3.409 30 40 GGEB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(CC#N)c3ccccc23)C1=O 409376174 VLFPPEKTEKGCMJ-HMHNVIDESA-N 383.429 3.153 30 40 GGEB O=C(C[C@@H]1S/C(=N/N=C/c2ccccc2O)NC1=O)c1ccc(Cl)cc1 4318245 DUYPLEZOMHYGBV-UWSDUSPXSA-N 387.848 3.240 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](COc3cc(C#N)ccn3)C2)c1 1775970353 DAEXQDYKHAPSBX-SFHVURJKSA-N 385.489 3.050 30 40 GGEB CCc1cccc(NC(=O)Cn2c(-c3ccc(F)cc3)ncc(C#N)c2=O)c1 49006185 KCVVOFLGAQWYIF-UHFFFAOYSA-N 376.391 3.122 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(O)c2)cc1 9058827 QGFWBFHXPDTXPW-YCRPNKLZSA-N 388.427 3.408 30 40 GGEB CCOc1ccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)cc1 113481349 DDVLQIIVHYGGGB-KRWDZBQOSA-N 394.456 3.400 30 40 GGEB COc1cccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(OC)c(O)c2)c1 21259496 KQXOVBPLQTWSTL-RDJZCZTQSA-N 393.439 3.414 30 40 GGEB N#C[C@H](C(=O)c1ccc(CN2C(=O)CCC2=O)cc1)c1nc2ccccc2s1 41502827 RXYIOLLPYSJIPN-OAHLLOKOSA-N 389.436 3.435 30 40 GGEB CCc1ccc(N2C(=O)[C@H](/C=N/c3ccc(C(C)=O)cc3)C(=O)NC2=S)cc1 4738581 BUQMNZWEXWZAEA-FNLSEGDXSA-N 393.468 3.218 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccc(CC)cc1 4890443 IFEYTLSYCBBZBL-KRWDZBQOSA-N 386.521 3.385 30 40 GGEB CCNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC)c(F)c2)cc1OC 12680022 FLBHASUYJWDGRY-VMPITWQZSA-N 387.407 3.254 30 40 GGEB COC(=O)c1ccc(CN(C)C(=O)c2c(C)oc(-n3cccc3)c2C#N)cc1 13016470 ATQFNYKOMSUCLC-UHFFFAOYSA-N 377.400 3.309 30 40 GGEB CC[C@]1(c2ccccc2)NC(=O)N(Cc2c(C#N)c(C)nn2-c2ccccc2)C1=O 15520038 KEAIGUGAUJPMSR-HSZRJFAPSA-N 399.454 3.410 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1 32639504 BKSYMCVWZRHLAG-GGNAOWBESA-N 386.926 3.132 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(O)cc3)C(=O)[C@@H]12 59484511 ASNXJWKMSBJPMJ-ZKKFKWFVSA-N 395.414 3.142 30 40 GGEB biogenic C=CCNC(=S)N/N=C(\C)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 100643610 KJKMLCYREVSYBB-OEAKJJBVSA-N 392.484 3.070 30 40 GGEB COc1cccc(/C=C/C(=O)OCC(=O)N(CCC#N)c2ccccc2)c1OC 3247662 BMEFBXKAMXIJHU-OUKQBFOZSA-N 394.427 3.207 30 40 GGEB N#CC1(NC(=O)CSc2ccc(C(=O)N3CCCC3)cn2)CCCCCC1 12863233 VJTLEQPPLLGRBZ-UHFFFAOYSA-N 386.521 3.142 30 40 GGEB O=C(CCC1CCCCC1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 15887219 CNSINSQVLFCLQL-UHFFFAOYSA-N 377.510 3.456 30 40 GGEB Cc1ccc(S(=O)(=O)NCCNc2nc3c(C)cccc3cc2C#N)cc1 35289184 FRSUKDFWAUFMKA-UHFFFAOYSA-N 380.473 3.114 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)c1ccccc1F)OCO3 35311919 ZUANCKPYBALVQL-UHFFFAOYSA-N 392.390 3.206 30 40 GGEB CO[C@H]1CCN(Cc2ccc(F)cc2C#N)[C@@H](CNC(=O)OC(C)(C)C)C1 96006541 AOXODUKPSCHDKW-MSOLQXFVSA-N 377.460 3.201 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(CC#N)cc3)C2)cc1 97029681 SORXXEYFOUOFLY-SFHVURJKSA-N 397.500 3.101 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222259638 PZWBSSICWQQYSR-XJZNCFEASA-N 391.383 3.386 30 40 GGEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2Cl)C1=O 408805063 CXPZZUCZJOGGCT-WYMLVPIESA-N 380.787 3.018 30 40 GGEB NCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 1083811032 OTTNLCOGTQQNTN-UHFFFAOYSA-N 375.153 3.403 30 40 GGEB C=C(C)CN(CC)C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N 6787512 ZTBAUAGASLWGBL-UHFFFAOYSA-N 395.532 3.253 30 40 GGEB O=c1c2c3c(sc2ncn1/N=C/c1ccc(N2CCOCC2)cc1)CCCC3 3258907 YXBAVKSTCTYJNC-YDZHTSKRSA-N 394.500 3.056 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 58101490 VYPIDTIXZISSFA-LBPRGKRZSA-N 381.457 3.287 30 40 GGEB Oc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1[nH]nc2c1CCC2 6785800 MRHQJHUJUBNBON-KEBDBYFISA-N 376.445 3.187 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 16737200 GHLBLSJDGOMCGH-IBGZPJMESA-N 381.428 3.046 30 40 GGEB COc1ccc(CO/N=C(/N)c2cccc(CN3CCOCC3)c2)cc1Cl 95448493 ZDTKNMOZBSGLOO-UHFFFAOYSA-N 389.883 3.018 30 40 GGEB C=CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 219694072 HBKSWYRVFCMRPY-UHFFFAOYSA-N 394.880 3.164 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)CN(C)CC(=O)Nc2ccccc2Cl)cc1 13095683 IWUACVLCPYBLGE-UHFFFAOYSA-N 398.894 3.466 30 40 GGEB CNC(=S)N/N=C1/C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21 18120231 IZGXBMBWJIJWTR-RCCKNPSSSA-N 393.299 3.338 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2cccc(O)c2)no1 6187841 MJDIQLOSKQECPB-SFHVURJKSA-N 376.368 3.472 30 40 GGEB COc1ccc(OC)c([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1 102684309 VSCITAHLSFHBFU-DEPWHIHDSA-N 392.415 3.213 30 40 GGEB CC[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccc(F)cc1 12722072 AOZFRNBMSQUJMA-QGZVFWFLSA-N 383.379 3.252 30 40 GGEB N#CCCN(C(=O)COC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 3317661 HSEOAMYOFTYUDI-UHFFFAOYSA-N 382.391 3.279 30 40 GGEB COC(=O)Cn1c(S[C@@H](C#N)Cc2ccc(C)cc2)nc2ccccc2c1=O 12852268 YQLWNBFKKMGOCL-MRXNPFEDSA-N 393.468 3.105 30 40 GGEB CC1=NOC(=O)/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 409089014 IDDZKOWGZQSYIG-ZROIWOOFSA-N 377.805 3.424 30 40 GGEB C=CCOc1ccc(C(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)cc1 4183471 YJCMAVAYDZUHAO-INIZCTEOSA-N 391.514 3.142 30 40 GGEB C/N=C1/S/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)N1C 408930145 SOEPZAKMZGTBPP-QTFLQNGUSA-N 382.441 3.496 30 40 GGEB COc1ccc(/N=C2\NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)S2)cc1 16216021 DJSQBZNRIOUGKT-APSNUPSMSA-N 399.384 3.224 30 40 GGEB Cc1nc(C(C)(C)C)nc(N2CCN(c3nc4sccn4c3C#N)CC2)c1C 1888897969 NXYKSLDMYLWOGV-UHFFFAOYSA-N 395.536 3.298 30 40 GGEB N#Cc1ccccc1NC(=O)CCSc1nnc(-c2ccc3c(c2)OCO3)o1 32871009 RMVGQJUGQNNINH-UHFFFAOYSA-N 394.412 3.458 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccccn2)cc1 102803323 FZDBSRQOQIBOAN-NHFXJNLRSA-N 385.423 3.407 30 40 GGEB COc1ccc(C(=O)ON2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3646880 VGGONTYILIDPRZ-UHFFFAOYSA-N 392.323 3.125 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(OC)c1O 4703315 RICGIMCCIGFNBM-GZTJUZNOSA-N 392.411 3.104 30 40 GGEB Cc1csc([C@H](C#N)C(=O)COC(=O)CSc2ccc3c(c2)CCC3)n1 6851575 OYFPMJHRJYAYPV-MRXNPFEDSA-N 386.498 3.452 30 40 GGEB COc1cccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)c1 48290927 FLIKPLKQWZUDRQ-PWRODBHTSA-N 378.428 3.077 30 40 GGEB Cc1ccc2nc(SCC(=O)N(CCC#N)c3ccccc3)n(C)c(=O)c2c1 48310746 IKKKSGSFTBOLQQ-UHFFFAOYSA-N 392.484 3.281 30 40 GGEB COC(=O)COc1ccccc1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O 408960717 IAROZOFXDZJXPW-GZTJUZNOSA-N 398.440 3.139 30 40 GGEB CCc1ccccc1N1C(=O)NC(=O)/C(=C\c2cn(CC#N)c3ccccc23)C1=O 409379078 VDNKLECFRVTOIJ-QGOAFFKASA-N 398.422 3.394 30 40 GGEB CCc1nnc(NC(=O)CSc2nc(C(F)(F)F)cc(C)c2C#N)s1 1052088 LLPGIZIQBZZJSJ-UHFFFAOYSA-N 387.412 3.425 30 40 GGEB C=CCO[C@@H]1CCN2C(=O)c3cc(-c4ccc(OC)cc4)ccc3NC(=O)[C@H]12 8297111 SIQFHXLOSYMHCU-UXHICEINSA-N 378.428 3.100 30 40 GGEB biogenic,in-vitro C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 27394481 BJRXMFGBZUCUDW-KRWDZBQOSA-N 391.471 3.211 30 40 GGEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)c(C)n1-c1ccccc1 408586137 BJXCXECYZUQSSU-MBSIIYOJSA-N 385.467 3.481 30 40 GGEB Cc1nn2c(nc(N(C)CCCc3n[nH]c(N)c3C#N)c3ccccc32)c1Cl 16737821 LUOOKZVHJTZMAM-UHFFFAOYSA-N 394.870 3.090 30 40 GGEB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118916560 WKQCPUMQBMFPLC-SWMFTOKCSA-N 388.504 3.238 30 40 GGEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 408812686 SYWMXARSWNODEJ-FOWTUZBSSA-N 380.787 3.018 30 40 GGEB C=C(Cl)COC(=O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 245377424 LEWPSHYXLMDCIT-YXAMBPQSSA-N 376.796 3.267 30 40 GGEB N#Cc1ccc(-n2ccc(NC(=O)Nc3ccn(C4CCOCC4)n3)n2)c(F)c1 952994910 ZQXSKSPPTYEDPX-UHFFFAOYSA-N 395.398 3.075 30 40 GGEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccccc1 19369849 QTBNVUYILADORA-KRWDZBQOSA-N 385.803 3.393 30 40 GGEB CCN(CC)C(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2OC)cc1 3448600 SUWIZJCNVIZCLU-UHFFFAOYSA-N 381.432 3.066 30 40 GGEB CCSc1nc2n(n1)[C@@H](c1cc(OC)ccc1OC)C1=C(CCCC1=O)N2 4436231 PUNOJWZTIHWKRD-KRWDZBQOSA-N 386.477 3.429 30 40 GGEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C\[C@@H]3[C@@H](C)C=C(C)C[C@@H]3C)c(=O)[nH]c12 13136191 HSDNTQVKHHCNKZ-QJMIVGAVSA-N 380.448 3.252 30 40 GGEB COc1ccc([C@H]2[C@H](/C(O)=N/c3ncn[nH]3)c3ccccc3C(=O)N2C)cc1 95473708 KVKUPSFVEKYNQJ-SJORKVTESA-N 377.404 3.012 30 40 GGEB COc1ccccc1NC(=O)c1c(/N=C/c2cccc([N+](=O)[O-])c2)cnn1C 100563851 QEEJQGBRRZKRTF-RGVLZGJSSA-N 379.376 3.340 30 40 GGEB C=CC[Sn](Br)(c1ccccc1)c1ccccc1 195775831 RUMCQFKLDRNJJH-UHFFFAOYSA-M 393.900 3.327 30 40 GGEB COc1cccc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c1O 409288234 FCZZJYNANPLIMH-UHFFFAOYSA-N 388.221 3.064 30 40 GGEB COc1ccc(/C=N/NC(N)=S)cc1OCc1ccc(Br)cc1 657670 VGFMLXAWNDKSNZ-DJKKODMXSA-N 394.294 3.204 30 40 GGEB N#C[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12 19961497 KKHKPCBRTRSEBA-ZWKOTPCHSA-N 399.454 3.137 30 40 GGEB CCOc1ccc(C(C)=O)cc1CN(C)S(=O)(=O)Cc1ccccc1C#N 32903140 MGBULNHGIHICHJ-UHFFFAOYSA-N 386.473 3.121 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@H]2CC(=O)N(c3ccccc3)C2)n1 52779054 ASUBCKVSHMTPBD-ZDUSSCGKSA-N 377.404 3.121 30 40 GGEB CC(=O)NS(=O)(=O)c1ccc(/N=C\c2cc(Cl)cc(Cl)c2O)cc1 104168948 GAISZMMQCBVPEY-LSCVHKIXSA-N 387.244 3.274 30 40 GGEB COc1ccc(CC(=O)N[C@@]2(C#N)CCc3ccccc3C2)cc1OC(F)F 529051529 AXIXILNZDROZDD-NRFANRHFSA-N 386.398 3.407 30 40 GGEB N#CCCn1c2c(c3ccccc31)CCN([C@H]1CC(=O)N(c3ccccc3)C1=O)C2 102330934 ZQGCUFVATGUYQM-NRFANRHFSA-N 398.466 3.245 30 40 GGEB C=CCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(F)cc1 3340284 SQEJJRHHVGXZSR-UHFFFAOYSA-N 376.453 3.258 30 40 GGEB COc1ccccc1C1CC(=O)C(=C2OCCN2Cc2ccccc2)C(=O)C1 20800825 QJYIFDCJTAKOOJ-UHFFFAOYSA-N 377.440 3.455 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1CCCC[C@H]1C(F)(F)F)c1ccc2c(c1)OCCO2 48470414 CRPUNHYXCPZDOF-NWDGAFQWSA-N 393.383 3.472 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 170609145 MGALRRBCJAXUJN-OAHLLOKOSA-N 376.416 3.009 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc(C#N)cc1 5455595 TXGGCOJVTCKGKU-UHFFFAOYSA-N 383.473 3.294 30 40 GGEB C/C(=C\C(=O)c1ccc(Cl)cc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 6652313 YYBSXCZLQFODFH-MJZVBFJOSA-N 390.823 3.019 30 40 GGEB C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 4738719 YZCIABBTKOQPIZ-GOSISDBHSA-N 397.406 3.186 30 40 GGEB CCn1cc(/C=C2/Oc3c(ccc(OCC(N)=O)c3C)C2=O)c2ccccc21 9422713 ITWVAVQNRDGLNJ-VXLYETTFSA-N 376.412 3.450 30 40 GGEB COc1ccc2cc(/C=N/C3C4(C)CN5CN(C4)CC3(C)C5)c(Cl)nc2c1 79483970 TZCXQHAHYASFRZ-LIMNOBDPSA-N 384.911 3.299 30 40 GGEB CCOc1ccc(Br)cc1/C=N\NS(=O)(=O)c1ccc(C)cc1 31719621 SGRBDZRDILQBNH-WQRHYEAKSA-N 397.294 3.469 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)c1 218244745 DTNTWNYGPWOQSX-UHFFFAOYSA-N 388.489 3.219 30 40 GGEB O=C(c1ccc(-n2cccn2)c(C#Cc2ccccc2)c1)N1CCC[C@@H](CO)C1 12224628 VCKCSPHOXDIQQZ-HXUWFJFHSA-N 385.467 3.117 30 40 GGEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(=O)OC)cc1 5561792 IOSHMJGYKZYDLG-SFHVURJKSA-N 375.380 3.311 30 40 GGEB Cc1cccc(C)c1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(CCO)C1=O 100145449 DWCUNMLIGGOJLI-NFFVOIMASA-N 397.500 3.256 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102880271 ZOVPLRSTXLETKT-ISYIFQNYSA-N 381.403 3.426 30 40 GGEB COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 1451119 UDIDNFJXBQEPGW-KRWDZBQOSA-N 380.356 3.368 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCC[C@H](C)C3)c(=O)c21 12113533 OZUZFTAKHVNAMT-ZDUSSCGKSA-N 384.505 3.166 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3cc(C4CC4)on3)CCCCC2)cn1 12144130 AKHCHYCGALIHLT-UHFFFAOYSA-N 392.459 3.390 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2)cc1 12970086 LJPAAMDCMGVRMC-GOSISDBHSA-N 387.395 3.268 30 40 GGEB CCOc1cc(C(=O)OCc2cn3ccccc3c2C#N)c([N+](=O)[O-])cc1OC 14255519 PNJRWKPPWXDBQW-UHFFFAOYSA-N 395.371 3.483 30 40 GGEB N#Cc1ccccc1CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 24510264 GHSMWZHFGHRISJ-UHFFFAOYSA-N 381.501 3.296 30 40 GGEB CCc1nn2c(nnc3c(=O)n(CCS)ccc32)c1-c1ccc(Cl)cc1 40395881 DCVFMSMSHHYNBM-UHFFFAOYSA-N 385.880 3.252 30 40 GGEB CO[C@H]1CCN(Cc2ccc(F)cc2C#N)[C@H](CNC(=O)OC(C)(C)C)C1 96006540 AOXODUKPSCHDKW-ROUUACIJSA-N 377.460 3.201 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]21C 96030676 YUWPMEXLKGOSBF-MAMMYTCMSA-N 386.488 3.302 30 40 GGEB in-vitro COc1cccc(NC(=O)N2CCC(Oc3ncccc3C#N)CC2)c1OC 96102879 GPAITKRPQZWMCS-UHFFFAOYSA-N 382.420 3.046 30 40 GGEB CCOC1(OCC)N=C(N)[C@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@]12C#N 103010507 JVADAEPYKLFVFA-VNQPRFMTSA-N 379.247 3.208 30 40 GGEB C#CCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409041652 KIXOMCRNIFQPJX-XNTDXEJSSA-N 381.369 3.452 30 40 GGEB N#CCOc1c(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1Cl 409349975 SEYLYFNABYGXDR-UHFFFAOYSA-N 389.198 3.193 30 40 GGEB CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Cl)c1OCC 409354475 GCQPNGSODLJEEJ-UHFFFAOYSA-N 387.823 3.435 30 40 GGEB N#C[C@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCCC1 2269081 FUVYAXJVGKXUDA-SFHVURJKSA-N 385.471 3.196 30 40 GGEB N#Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1 2660362 NVOCRPWFHABBEX-UHFFFAOYSA-N 378.306 3.138 30 40 GGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCc4ccc5c(c4)OCO5)[C@H]3[C@@H]3O[C@@]132 4028548 JMJAYLXLEBJBLC-PTBVLRRJSA-N 399.487 3.030 30 40 GGEB biogenic N#Cc1ccc(NC(=O)COCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 4698640 APEXITKGJFLAHT-UHFFFAOYSA-N 377.322 3.171 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2c(C)[nH]c(C(=O)OCC)c2C)c1C 6154911 FQQGCUCFLIGUIB-UHFFFAOYSA-N 386.448 3.452 30 40 GGEB CN(Cc1ccccc1)c1oc(-c2ccc(S(=O)(=O)N(C)C)cc2)nc1C#N 12421003 DQZXCHYIXVGDIX-UHFFFAOYSA-N 396.472 3.100 30 40 GGEB Nc1nc(N2CCCCC2)nc2c1[C@@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 20673739 LELNTIHYTFJQKE-KRWDZBQOSA-N 391.475 3.319 30 40 GGEB C[C@@H](C(=O)Nc1ccc(C#N)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 35262658 YCPFCJIUPTZMCZ-WMZOPIPTSA-N 376.460 3.236 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C1=O 59418104 JFQGEBBJBDWZMF-PDGQHHTCSA-N 380.375 3.053 30 40 GGEB N#CCCN(C(=O)COC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 3260104 XJNALKNGFXASSW-FMIVXFBMSA-N 379.372 3.098 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H](C)O)[C@H]2c2ccc(N(C)C)cc2)cc1 13122784 RMICAPWZOKDYBH-YWZLYKJASA-N 394.471 3.020 30 40 GGEB CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1OCc1ccccc1C 4422747 JXKIUEHANGPOPA-WSDLNYQXSA-N 393.447 3.205 30 40 GGEB CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)CO)cc1 218459321 PVOCQCDGBJGREJ-CEXWTWQISA-N 375.877 3.344 30 40 GGEB CC#CCSc1ncc(C(=O)OC)c(=O)n1-c1ccc(C(F)(F)F)cc1 2087110011 PBDVWDOVXUJQRP-UHFFFAOYSA-N 382.363 3.153 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1cccs1 102803316 FPFDUJBVDMFXKF-REQDGWNSSA-N 387.417 3.365 30 40 GGEB Cc1ccccc1-c1nnn(CCC(=O)Nc2sc3c(c2C#N)CCCC3)n1 5402052 BZKKSXNBUFIENA-UHFFFAOYSA-N 392.488 3.489 30 40 GGEB N#CCCN(C(=O)CSc1nnc2[nH]c3ccccc3n12)c1ccc(F)cc1 5932533 KHDLSYMZZXNMAJ-UHFFFAOYSA-N 394.435 3.389 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2O)[C@H]1c1ccccc1 20310647 PTBSJPVUSCQWSK-HXUWFJFHSA-N 394.471 3.312 30 40 GGEB C=CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nnc1-c1ccco1 22748087 AHHAVVNOZPJHHP-LBPRGKRZSA-N 385.474 3.458 30 40 GGEB CCN1C[C@@H](CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)Oc2ccccc21 24979929 ZWUJKPFDJAFHTK-QGZVFWFLSA-N 398.894 3.369 30 40 GGEB Cc1nc(SCc2c(C#N)c(C)nn2-c2ccccc2)sc1CC(N)=O 25078731 VEVYOYIVJGKORU-UHFFFAOYSA-N 383.502 3.137 30 40 GGEB COC(=O)c1ccccc1-c1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)o1 58628794 ANXRNLVFHDEMIW-FYJGNVAPSA-N 398.440 3.354 30 40 GGEB CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(N)=O 409226629 VQWCMNKVHSQSJW-AWQFTUOYSA-N 377.784 3.262 30 40 GGEB COC(=O)c1c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)[nH]c(=O)c1C#N 8655367 NMILDCFAABQPMH-UHFFFAOYSA-N 390.395 3.384 30 40 GGEB Cc1ccc2oc(N3CCN(CCC(=O)Nc4cccc(C#N)c4)CC3)nc2c1 106095749 UNYDDLZCNCFJES-UHFFFAOYSA-N 389.459 3.159 30 40 GGEB CCOc1ccc2[nH]c(=O)c(C[C@@H](C#N)C(=O)Nc3ccc(F)cc3)cc2c1 9669195 BDZAKKKNVKYLMJ-HNNXBMFYSA-N 379.391 3.387 30 40 GGEB C=CCn1c(C)nnc1SCC(=O)Nc1ccc(Br)cc1F 6785523 DRFRRMWPSZWHLF-UHFFFAOYSA-N 385.262 3.405 30 40 GGEB N#Cc1cc(CN2CCOCC2)cn(Cc2c(Cl)oc3ccccc23)c1=O 598714792 SLNYPKPNQNLOTR-UHFFFAOYSA-N 383.835 3.000 30 40 GGEB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=S)N[C@@H]1c1ccc(C#N)cc1 12554335 LJUGXRBAGKNVJH-LJQANCHMSA-N 393.468 3.450 30 40 GGEB COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccc(F)cc2)CC(=O)N1C 18062422 FKXLYBFRCPUMMH-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB C=CCOc1ccc(CN2C[C@H]3NC(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 12366440 XGFRHSUNLNJFEQ-OFNKIYASSA-N 376.456 3.068 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2cccnc2)/C1=C(\O)c1ccc(F)cc1 102925924 YHOYDSFJXFNUEL-LFVOPCPISA-N 389.386 3.238 30 40 GGEB CC(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3sccc3C#N)C2=O)cc1 8724330 NPWOVOPZMXDBST-HXUWFJFHSA-N 396.472 3.149 30 40 GGEB Cc1ccc(N2C(=O)[C@H](/C=N\c3ccc4ncccc4c3)C(=O)NC2=S)cc1 408762729 MBRVGQXUVVIYBF-NSTHGIQOSA-N 388.452 3.310 30 40 GGEB CCOC(=O)c1sc(NC(=S)NC(=O)c2cccs2)c(C#N)c1C 408624445 UEJXDODWIZXROY-UHFFFAOYSA-N 379.488 3.293 30 40 GGEB C#CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1OCC 409244326 BBHWPDUTGVGVGL-GHRIWEEISA-N 375.446 3.170 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC2CCCCCC2)CC1 42995849 CQUYFMNZVKGVFY-UHFFFAOYSA-N 383.452 3.361 30 40 GGEB C=CCSc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1 225810840 DHHQHUXFUWPBLS-UHFFFAOYSA-N 392.325 3.380 30 40 GGEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1c(C)noc1C)C2 585107177 QMPLLELJHGVTEK-QFIPXVFZSA-N 389.459 3.225 30 40 GGEB C[C@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 69283912 HLABNNOUSJALQF-VHSXEESVSA-N 382.265 3.223 30 40 GGEB COCCOc1cc(NC(=O)CSCc2ccc(C#N)cc2)ccc1OC 48173762 CFMWRIJWXXOPSX-UHFFFAOYSA-N 386.473 3.464 30 40 GGEB CS(=O)(=O)N(CCCC(=O)Nc1ccc(CC#N)cc1)c1ccc(F)cc1 14401424 JESAFNMYVFSCNP-UHFFFAOYSA-N 389.452 3.077 30 40 GGEB C=CC[C@]12C=C(OC)C(=O)[C@H](C1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 169748414 OKURGHZJDGLSIP-KJJALAEESA-N 386.444 3.307 30 40 GGEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccc(Cl)c2)c2ccccc21 2888407 RKEWIHIGYIGOAP-ZCXUNETKSA-N 396.830 3.393 30 40 GGEB COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2Cl)cc1 3271810 UATGRCMFGGJCGK-HNNXBMFYSA-N 380.835 3.258 30 40 GGEB C=CCN(Cc1cccs1)C(=O)CCNS(=O)(=O)c1cc(C)ccc1C 21930080 YZNOVCQOYRALLC-UHFFFAOYSA-N 392.546 3.248 30 40 GGEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2cc(C)c(C)cc2[nH]c1=O 883099 LKDPIFMYMTVSIN-KRWDZBQOSA-N 375.428 3.475 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1 4854017 XEVJOUFMJNGZCC-UHFFFAOYSA-N 395.488 3.122 30 40 GGEB Cc1nn(-c2cc(Oc3cccc(OC(F)(F)F)c3)ncn2)c(N)c1C#N 8715328 GTRXNAMOMLVPOE-UHFFFAOYSA-N 376.298 3.116 30 40 GGEB N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 19961398 CLERWKSODXDYON-HUUCEWRRSA-N 391.818 3.391 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)cc2C1=O 3526017 LNPDYEQYGVPUIR-CQSZACIVSA-N 377.396 3.205 30 40 GGEB N#Cc1cc(N)c(N2CCN(c3ccc4c(c3)OCO4)CC2)n1C1CCCC1 225871364 BRDDJCBENKZSCL-UHFFFAOYSA-N 379.464 3.112 30 40 GGEB C/C=C1/Oc2c(ccc(O)c2[C@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 256053729 SPHWLYHLEHNECR-UDRREKMYSA-N 388.464 3.485 30 40 GGEB C#CCNS(=O)(=O)c1cccc(C(=O)O[C@H](C)c2ccccc2Cl)c1 9515344 BVCATRZHXBOBDI-CYBMUJFWSA-N 377.849 3.170 30 40 GGEB COc1ccc2oc(C(=O)N[C@H]3CC[C@H](Oc4nccnc4C#N)CC3)cc2c1 245039099 OFFNXYSBPLZDJX-SHTZXODSSA-N 392.415 3.223 30 40 GGEB C/C(=N/NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(NC(=O)C2CC2)cc1 695818 ZNOYCKSWMMDCHW-MTJSOVHGSA-N 391.880 3.391 30 40 GGEB CCC(CC)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)cc1 103729965 WENQFXRBZFZFHH-IEAPLQLESA-N 380.535 3.033 30 40 GGEB CCNC(=S)N/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 7008298 RDOFGYKXJMTAMV-RGVLZGJSSA-N 388.449 3.000 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1CCCC[C@@H]1C(F)(F)F)c1ccc2c(c1)OCCO2 48470410 CRPUNHYXCPZDOF-RYUDHWBXSA-N 393.383 3.472 30 40 GGEB COCc1cc(C)nc(SCC[N+](C)(C)CC(=O)Nc2ccccc2)c1C#N 38148206 WLLFRYFNMHABRE-UHFFFAOYSA-O 399.540 3.215 30 40 GGEB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C#N)cc3)C2=O)cc1 4698881 ALOQJFNQEDVTRQ-LICLKQGHSA-N 393.424 3.242 30 40 GGEB COc1cccc2cc(C(=O)Nc3ccc(F)c(F)c3)/c(=N/OC(C)=O)oc12 67350811 NXEYZTZASIXPSJ-NMWGTECJSA-N 388.326 3.351 30 40 GGEB COc1c(Br)cc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1[N+](=O)[O-] 408749314 FPTADXLQLGBSFL-SOFYXZRVSA-N 396.157 3.115 30 40 GGEB O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N\c2ccc(N3CCOCC3)cc2)c1 408931798 QKEOYCKNOJVVRE-JWGURIENSA-N 396.447 3.019 30 40 GGEB C=CCOc1cccc(NC(=O)c2ccc(N3CCCCS3(=O)=O)cc2)c1 222583485 IXTKARGZOXPDGA-UHFFFAOYSA-N 386.473 3.434 30 40 GGEB CC(C)NC1=C(C(=O)CCCN2C(=O)c3ccccc3C2=O)C(=O)CC(C)(C)C1 100154767 GMFOKLRSJKJOJQ-UHFFFAOYSA-N 396.487 3.273 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccncc1 102928278 YVVPYABKHXRLSG-NHFXJNLRSA-N 393.487 3.154 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1ccc(Cl)c(Cl)c1 4986763 ZEPMZIVJWHYAGI-KPWYMIHSSA-N 382.243 3.249 30 40 GGEB CCc1nn(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)c(N)c1C#N 8715315 GASNZBBTNUQGHF-UHFFFAOYSA-N 389.341 3.321 30 40 GGEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NC[C@H]2CCCO2)cc1 408803426 OSLSRCIKZLWBES-AYBNGVQBSA-N 382.460 3.428 30 40 GGEB Cc1ccc(C)c(-n2nnnc2S[C@@H](C)C(=O)Nc2sccc2C#N)c1 8375563 XEZYMSXLNMOOED-LBPRGKRZSA-N 384.490 3.332 30 40 GGEB C=CCN(C(=O)/C=C/c1cnn(CC)c1C)c1nc(C)c(C(=O)OCC)s1 17079356 IJCZDWINDZUEEW-MDZDMXLPSA-N 388.493 3.385 30 40 GGEB O=C1N[C@H](c2ccc(F)cc2)C(C(=O)c2ccc(Br)cc2)=C1O 18055237 ACQNBMYEXFRNFK-CQSZACIVSA-N 376.181 3.454 30 40 GGEB C/N=C1/S/C(=C/c2cc(Cl)c(OCC(=O)OC)c(Cl)c2)C(=O)N1C 408929558 KWHZYPOEGVAUOV-GEORSUITSA-N 389.260 3.077 30 40 GGEB Cc1cc(Cl)nc(N/C=C2/C(=O)c3c(sc(C)c3C)N(C)S2(=O)=O)n1 2152846 SWZBGEJWVHYDMJ-POHAHGRESA-N 398.897 3.033 30 40 GGEB CCOC(=O)c1cnn(-c2ccccc2)c1/N=C/c1cc([N+](=O)[O-])ccc1O 13562539 VYNCPVDEILUJSA-RGVLZGJSSA-N 380.360 3.413 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N 848869 WZICCNNVCGEKOT-PMACEKPBSA-N 387.399 3.376 30 40 GGEB CN(C)c1ccc([C@H](C#N)NCCCN[C@@H](C#N)c2ccc(N(C)C)cc2)cc1 1615564 HMLWEEUZLYKLMM-GOTSBHOMSA-N 390.535 3.217 30 40 GGEB C=CCNC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12 2291388 CEIHNOMFZHRWES-UHFFFAOYSA-N 387.443 3.139 30 40 GGEB O=C1S/C(=C/c2cccs2)C(=O)N1CCN/C=C/C(=O)C(F)(F)F 3253969 NHQJLHIVIJIJFW-FJMRRMLCSA-N 376.381 3.019 30 40 GGEB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc(C#N)cc1 5326690 LMPVNEGGTDLNBO-NSHDSACASA-N 385.445 3.379 30 40 GGEB CCc1ccc(-n2nnnc2/C(=C/N(C)C)C(=O)C(Cl)(Cl)Cl)cc1 5954419 RTOTXFIKMABVKX-FMIVXFBMSA-N 388.686 3.067 30 40 GGEB COc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2)cc1Cn1cc([N+](=O)[O-])cn1 8686818 KRLNRHAKFNWKGO-DJKKODMXSA-N 396.363 3.202 30 40 GGEB C[C@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 11460415 IQPTXKIJTBTMIN-HNNXBMFYSA-N 389.411 3.020 30 40 GGEB COc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408740591 HFBDMBNYSOQXCB-IXJMWADBSA-N 387.848 3.115 30 40 GGEB N#Cc1cccc(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 24770539 NLECXQJVNHFPDK-UHFFFAOYSA-N 393.277 3.281 30 40 GGEB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1ccncc1 2335618 NMOUPVKUGOOGCT-DHRITJCHSA-N 399.458 3.116 30 40 GGEB CCCCN1C(=O)c2ccc(C(=O)Nc3nn(C(C)(C)C)cc3C#N)cc2C1=O 72308004 RTFSKIREKFHKSX-UHFFFAOYSA-N 393.447 3.158 30 40 GGEB CC(=O)N(C(C)=O)c1nc(-c2ccccc2)cn1/N=C/c1cccc([N+](=O)[O-])c1 4750498 RLDQNNRMJDRLSZ-CIAFOILYSA-N 391.387 3.240 30 40 GGEB N#Cc1c2c(c3nncn3c1NCc1ccccn1)CN(Cc1ccccc1)CC2 20677593 AHIQVPFYTLFIFB-UHFFFAOYSA-N 395.470 3.166 30 40 GGEB CC(=O)Oc1ccccc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)N(C)C1=O 4957301 DMAGJPZUNXCBCK-UNEBPCJRSA-N 397.456 3.202 30 40 GGEB N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1NCCN1CCOCC1 20358101 OUVZYIGXJRYWJT-UHFFFAOYSA-N 397.262 3.176 30 40 GGEB C[C@]12Cc3c([nH]c(=O)c(C#N)c3C#N)C[C@H]1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@H]12 105368890 RONRYQJFHZPPMI-VAQLBXFOSA-N 391.515 3.437 30 40 GGEB N#Cc1c(CCCNC(=O)c2cc(-c3ccco3)nc3ccccc23)n[nH]c1N 9835268 JDNJFZPEFLLUKO-UHFFFAOYSA-N 386.415 3.034 30 40 GGEB CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[C@@H](C)COC 2326495 GFNAPRNKVNGSSL-JKSUJKDBSA-N 384.480 3.441 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(\O)C2(c3ccccc3)CCC2)cc1OC 48492365 KDGSJAVCTNEIQC-UHFFFAOYSA-N 375.446 3.471 30 40 GGEB CC(=O)O[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C 118927860 JPBGWEMFLWGZNK-DNNYETPZSA-N 390.520 3.029 30 40 GGEB C=CCOc1ccc(CN(C)C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1 6787845 QXEIUSOFTOAVIP-UHFFFAOYSA-N 385.460 3.478 30 40 GGEB CCn1cnnc1SCC(=O)Nc1c(C#N)c(C)c(C)n1Cc1ccccc1 8352007 QSALJAQIDFEGRL-UHFFFAOYSA-N 394.504 3.367 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H]2CC(=O)N(c3ccccc3)C2)n1 52779053 ASUBCKVSHMTPBD-CYBMUJFWSA-N 377.404 3.121 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1C[C@@H]1c1cccc(F)c1)c1ccc2c(c1)OCCO2 84372176 GPXPSWZADFAVOP-CABCVRRESA-N 377.393 3.046 30 40 GGEB CCCc1nc2ccccc2c(=O)n1/N=C/c1cc(OC)c(OC)c(OC)c1 1246331 ZHPZLFCSPCOMAH-LPYMAVHISA-N 381.432 3.257 30 40 GGEB CNC(=O)[C@@H]1CC(=O)N(CCCc2ccccc2)/C(=N/c2ccccc2)S1 17862123 CNYRTTRWZBTMOP-NKWDDMGQSA-N 381.501 3.387 30 40 GGEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)c(OC)c1 44920054 ZOQXPTHCTNJLNF-LJQANCHMSA-N 378.432 3.430 30 40 GGEB CCOc1ccc(S(=O)(=O)N/N=C2\CCSc3ccc(F)cc32)cc1 33042743 DVKFYNWRLPKDMO-KNTRCKAVSA-N 380.466 3.403 30 40 GGEB COc1cc(/C=N/Nc2nc3nonc3nc2Nc2ccccc2F)ccc1O 4018571 SCPRBIYGSGGQLK-AWQFTUOYSA-N 395.354 3.056 30 40 GGEB C=C(C)/C=N/Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC)cc1 4865455 JSKFDVVTQPERHH-WOJGMQOQSA-N 390.421 3.378 30 40 GGEB COc1ccc2cc(/C=N/NS(=O)(=O)c3ccccc3)c(Cl)nc2c1 5205619 AUWQKAKCEOBINA-YBFXNURJSA-N 375.837 3.209 30 40 GGEB C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1 5895786 BVGZFCKFSNFNMP-MHWRWJLKSA-N 398.238 3.060 30 40 GGEB N#Cc1ccccc1COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 6884566 MNFLSQGVSMSPEX-JXMROGBWSA-N 390.355 3.005 30 40 GGEB C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccncc1 6908488 ZRKVRRXNVPEZKI-OAHLLOKOSA-N 379.489 3.496 30 40 GGEB CN1/C(=C\C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)C(C)(C)c2ccccc21 32666256 WAKDMCYQMLGVEV-ODLFYWEKSA-N 395.415 3.214 30 40 GGEB CCCCOc1ccc(NC(=O)NCC#CCOc2ccccc2C(N)=O)cc1 90743938 IHBRQHYYOSDPKY-UHFFFAOYSA-N 395.459 3.168 30 40 GGEB CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2cccc(SCC#N)c2)C1 95446323 DVESMPCTGHWKGV-HNNXBMFYSA-N 375.494 3.432 30 40 GGEB C=CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cccc(OC)c21 100909800 PCHUXFVHFOCGPU-MODMUFLJSA-N 382.441 3.165 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@H]2c2ccc(Cl)cc2)cc1 104108908 LZRCLJKKZBECSF-GHNGSUTGSA-N 385.847 3.453 30 40 GGEB C#CCOc1ccc(C[C@@H]2SC(=S)N(Cc3cccnc3)C2=O)cc1OC 6951954 AZEJGANLABQUFA-SFHVURJKSA-N 398.509 3.074 30 40 GGEB Cc1cc(C)n2nc(CCCNc3ccc([N+](=O)[O-])cc3C#N)c(C#N)c2n1 32913368 MKKBBLIIGIUJOJ-UHFFFAOYSA-N 375.392 3.042 30 40 GGEB CCCCCCCn1c(=O)c2c(nc3n2CCN3c2cccc(C)c2)n(C)c1=O 53368340 XQOTXLRRFKNHSN-UHFFFAOYSA-N 395.507 3.327 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccccc2F)C1=O 59418102 RMUIMSYVVUQUAJ-VBKFSLOCSA-N 380.375 3.053 30 40 GGEB O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNC[C@@H]1NCCc2ccccc21 100146721 KSEUZXVMUSLZRQ-LFABVHOISA-N 378.447 3.202 30 40 GGEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 118929310 KGOJBGFCQASCHE-RNGLRLRGSA-N 378.484 3.147 30 40 GGEB Cc1ccc(N(CCCC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 408678899 JKCNPATVVSGIHG-UHFFFAOYSA-N 385.489 3.246 30 40 GGEB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C#N)cc1 409130122 IJIJVXAZFXXOSJ-LZYBPNLTSA-N 381.413 3.087 30 40 GGEB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1csc2ccccc12 575622140 WJBVPQUHHFKHHA-GOSISDBHSA-N 392.484 3.131 30 40 GGEB N#Cc1cc2c(nc1N1CC[C@H](Oc3ccncc3Br)C1)CCC2 1888847409 BLZQZSFTFZIQGI-AWEZNQCLSA-N 385.265 3.257 30 40 GGEB CC(C)(C)C(=O)Nc1ccc(N2CCN(Cc3ccc(C#N)cc3)CC2)cn1 2298055754 QGIARKCAMJJEOZ-UHFFFAOYSA-N 377.492 3.260 30 40 GGEB CCOC(=O)COc1ccc(/C=C2\Oc3cc(OC)ccc3C2=O)cc1OC 4339935 PXBVFINCUUDUCI-GRSHGNNSSA-N 384.384 3.262 30 40 GGEB biogenic CCn1c(SCC(=O)OCCOc2ccc(C#N)cc2)nnc1-c1ccco1 9398488 LNOBFBFWNMTROK-UHFFFAOYSA-N 398.444 3.144 30 40 GGEB C=CCN1C(=O)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)N=C1c1ccccc1 12363499 SOOSMQWRPNVWKY-IBGZPJMESA-N 393.409 3.417 30 40 GGEB Cc1nn(CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)c(=O)c(C#N)c1C 14244424 HHCKRYPDFKEPRS-UHFFFAOYSA-N 396.466 3.232 30 40 GGEB CS[C@H]1C(C(=O)c2ccc(Cl)cc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716454 MFYJMTBWTKYUSG-SFHVURJKSA-N 381.881 3.481 30 40 GGEB O=C1/C(=C\c2cnc(N3CCCC3)nc2)COc2ccc(Br)cc21 84451677 BHSMSAPUSWHBPS-QPEQYQDCSA-N 386.249 3.498 30 40 GGEB COC(=O)C1=C(C(=O)c2cccs2)[C@@H](c2ccc(Cl)s2)NC(=S)N1 126841236 QZPHDVPDGNJVNQ-LLVKDONJSA-N 398.918 3.292 30 40 GGEB C=CCc1cc(CNC(=O)N2CCOc3ccc(O)cc3C2)cc(OC)c1OC 663877108 RGVMGPDTYLFNFM-UHFFFAOYSA-N 398.459 3.242 30 40 GGEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 1564570 KEFABQULSGVEPI-BHDDXSALSA-N 378.473 3.495 30 40 GGEB CCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1OC 2267301 KSMCBELTSYPZME-FOKLQQMPSA-N 376.416 3.476 30 40 GGEB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 4472339 UACNFQRHUKIRGQ-LKBVRNOZSA-N 382.397 3.416 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(OC)cc1 8915064 GOPGFZACETVVNF-WOOAAIBNSA-N 398.459 3.052 30 40 GGEB C=CCSc1nc(O)c2c(n1)N=C(O)C[C@@H]2c1cc(OC)c(O)c(OC)c1 9012461 ZCXMCYALKNWTBQ-SNVBAGLBSA-N 389.433 3.307 30 40 GGEB COc1ccc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)c(OC)c1OC 12662641 BTWKSFYMCKEUEB-YVLHZVERSA-N 399.399 3.389 30 40 GGEB biogenic N#Cc1c(CCCNC(=O)c2ccc(F)cc2F)nn(-c2ccc(F)cc2)c1N 31118834 CGNXZMVIWPNDCL-UHFFFAOYSA-N 399.376 3.106 30 40 GGEB CCCN(Cc1ccc(C#N)cc1)C(=O)c1cccc(OCC(=O)N(C)C)c1 44486531 NFVMIQBGDUYWFV-UHFFFAOYSA-N 379.460 3.078 30 40 GGEB Cc1ccc(Nc2cc(N3CCN(c4oc(C)nc4C#N)CC3)ncn2)cc1 80345664 BBBNPCQLIRXEGU-UHFFFAOYSA-N 375.436 3.023 30 40 GGEB N#CC1(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102716811 FGHKBSLLXQNWTG-VVWQDTPRSA-N 377.360 3.104 30 40 GGEB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 226051852 SONNUHZMFRUKPB-UHFFFAOYSA-N 399.516 3.258 30 40 GGEB C=CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(C)cc2)S(C)(=O)=O)cc1 408610438 QUIRDSJCJXJIQA-INIZCTEOSA-N 388.489 3.353 30 40 GGEB Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)cc1 4179369 CZWWADIBGANPNN-KGENOOAVSA-N 375.436 3.367 30 40 GGEB CCOc1ccc(C(=O)COC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 6648673 SLQHXHFEGFTWIR-VZUCSPMQSA-N 395.411 3.436 30 40 GGEB N#Cc1cnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nc1N 7045487 PKKJSJDCPNIWDB-UHFFFAOYSA-N 387.774 3.333 30 40 GGEB N#Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 7238974 HPSAGEWVRKJGDQ-UHFFFAOYSA-N 387.417 3.433 30 40 GGEB CC(C)c1ccc([C@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 13015774 SYJJUFGMLUZAQR-INIZCTEOSA-N 399.516 3.180 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccccc2)cc1 16737198 GHLBLSJDGOMCGH-LJQANCHMSA-N 381.428 3.046 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)cc1 17179596 LQRRPCFJCRGRCN-LJQANCHMSA-N 382.460 3.426 30 40 GGEB Cc1ccc([C@@H]2C(C(=O)c3ccccc3O)=C(O)C(=O)N2CCCN(C)C)cc1 20310667 VDTPOZYOAIORSZ-HXUWFJFHSA-N 394.471 3.231 30 40 GGEB N#CCCNS(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 26939803 RCKPDVWPCLJTQD-UHFFFAOYSA-N 379.441 3.284 30 40 GGEB COc1ccc(Br)cc1/C=N\NS(=O)(=O)c1ccc(C)cc1 31719454 ROIQMFLMJRIGBZ-YVLHZVERSA-N 383.267 3.079 30 40 GGEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)NC1(C#N)CCCCC1 32668192 SGILGFOWLCSWEO-UHFFFAOYSA-N 397.306 3.206 30 40 GGEB COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 102695453 GIJBBKJVURIRHU-XHSDSOJGSA-N 382.464 3.051 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccncc2)/C1=C(\O)c1cccs1 102873221 YZLJMOFIYSSYFK-HVESIFNPSA-N 377.425 3.160 30 40 GGEB CCSc1ccccc1C(=O)NCC1CCN(c2nccnc2C#N)CC1 206602585 DXNVQJRLEIFWMH-UHFFFAOYSA-N 381.505 3.107 30 40 GGEB Cc1ccc(C)c(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)c1 256046389 FOMQNBPVWQYEHU-UHFFFAOYSA-N 376.439 3.222 30 40 GGEB CC1(C)CN(C(=O)C2(C#N)CCOCC2)[C@@H]1C1CCN(Cc2ccccc2)CC1 571024755 GLPWGVHNEBVOML-OAQYLSRUSA-N 395.547 3.456 30 40 GGEB C=C[C@@H](COC(=O)C(C)(C)OC(C)=O)c1ccc(OC(=O)C(C)C)c(OC)c1 1567076 KTYZMIZSVMYQBQ-HNNXBMFYSA-N 392.448 3.411 30 40 GGEB N#Cc1c(F)cccc1N1CCN(C(=O)Nc2cccc(-c3nnco3)c2)CC1 44084911 JXGPFFLCFNDRIB-UHFFFAOYSA-N 392.394 3.101 30 40 GGEB CCOC(=O)c1cccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)c1 5009241 MPRHYOFYMWMEIE-UHFFFAOYSA-N 379.441 3.190 30 40 GGEB COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc(OC)c1OC 5150031 QVMZYOFHBJMKGC-UHFFFAOYSA-N 389.415 3.112 30 40 GGEB N#Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@@]2(CCN(Cc4ccccc4)C2=O)C3)c1 306141348 VSYKNJXABXUJQS-AWRGLXIESA-N 385.467 3.354 30 40 GGEB CC/N=C1/S/C(=C/c2cc(Br)cc(OC)c2O)C(=O)N1CC 408929260 ITLMJWINDWBECX-FLPZBXERSA-N 385.283 3.475 30 40 GGEB O=S1(=O)N=C(N2CCC(/C(O)=N/C3CCCCC3)CC2)c2ccccc21 8202275 RWTHLVYBKAUSHK-UHFFFAOYSA-N 375.494 3.137 30 40 GGEB CSCC[C@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 9864884 YQEVEWCKTOHEAL-GOSISDBHSA-N 394.452 3.019 30 40 GGEB CC(C)N(CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@H]12)C(C)C 20612397 MJHAVTISRMMQFD-MTMVXOAJSA-N 392.584 3.222 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218385040 QRNWOCVUAQFZNO-JFIYKMOQSA-N 375.833 3.183 30 40 GGEB C=CCN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225034923 ALQSQZBLIBLVIO-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB COC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242574922 NJQGPLXKYRZMEI-GUDVDZBRSA-N 391.876 3.445 30 40 GGEB N#Cc1nc(-c2ccc(F)cc2)oc1N1CCN(C(=O)c2ccccc2)CC1 12418288 KTZYLZGLGBXOEO-UHFFFAOYSA-N 376.391 3.315 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OC)c2)C1=O 2816673 CMVVTRLOBMKOAJ-KPKJPENVSA-N 383.809 3.034 30 40 GGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1 3279835 YSJFTIGSHGJGJY-UHFFFAOYSA-N 377.169 3.255 30 40 GGEB C=CCN(Cc1cccs1)C(=O)c1ccc(N2CCCS2(=O)=O)cc1 52753847 NQLZHRMSVRRRNK-UHFFFAOYSA-N 376.503 3.116 30 40 GGEB CCCCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC 102819378 AWLMUDSXMJJLSU-UHFFFAOYSA-N 398.525 3.015 30 40 GGEB COC(=O)c1cc(C#N)c(=O)n(Cc2csc(-c3ccccc3Cl)n2)c1 42726409 GSUCZFNKLLTWKC-UHFFFAOYSA-N 385.832 3.332 30 40 GGEB CCOC(=O)/C(=N/C[C@H]1CCCO1)NNc1cc(C(F)(F)F)ccc1Cl 3179370 OTKPWYSTEKNGOA-LLVKDONJSA-N 393.793 3.416 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 3334728 ZGHRUUAZGGCJFJ-KRWDZBQOSA-N 377.901 3.282 30 40 GGEB N#CC1(NC(=O)Cc2csc(NC(=O)c3ccccc3F)n2)CCCCC1 60614699 BMCHFVYKXIRQGL-UHFFFAOYSA-N 386.452 3.420 30 40 GGEB COc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OCC(=O)O 4655866 URLASOHMRNOFRQ-YBEGLDIGSA-N 384.413 3.050 30 40 GGEB COc1cc(SC)ccc1C(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 16149098 WYUGFNXBRNZGKI-IBGZPJMESA-N 381.501 3.440 30 40 GGEB COC(=O)c1ccccc1/N=C\c1cc(Br)c(N2CCOCC2)o1 408853095 PQUDOSHZJYGIFU-ODLFYWEKSA-N 393.237 3.416 30 40 GGEB CCNC(=S)N/N=C/c1cc(Br)c(OC(C)C)c(OCC)c1 33735775 NYDUDVWOTLLQBJ-GIJQJNRQSA-N 388.331 3.453 30 40 GGEB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccc(F)cc2)o1 222367998 KFTVOWXKQNSPKK-GRWSXBAESA-N 376.387 3.473 30 40 GGEB CCOc1cc(Br)c(Br)c(/C=N/O)c1OC(C)=O 226302444 BLLPITFTFMTELO-LHHJGKSTSA-N 381.020 3.344 30 40 GGEB COc1ccc(NC(=O)c2cc(=O)c3cc(Br)ccc3[nH]2)cc1C#N 1587743909 GHGHLRFUTAJEJO-UHFFFAOYSA-N 398.216 3.423 30 40 GGEB COc1cccc(-c2n[nH]c(=S)n2/N=C/c2cc(OC)c(O)c(OC)c2)c1 1478980 KGQFAJSLIHEBLG-VXLYETTFSA-N 386.433 3.221 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccnc1 17967444 VXVOCJWHKNVVEU-LJQANCHMSA-N 396.443 3.094 30 40 GGEB Cc1nc(N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c(C(N)=O)c(C)c1Cl 1888866354 JGOSGOYLAZFHNI-OAHLLOKOSA-N 399.882 3.013 30 40 GGEB Cc1[nH]c(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)c(C#N)c1C 15081439 WRVINQKWWNWPKR-UHFFFAOYSA-N 391.460 3.064 30 40 GGEB Cc1ccc(-n2ccnc2SCc2cc(O)n3ncc(C#N)c3n2)cc1C 40114268 CHIZAUYATGLQRL-UHFFFAOYSA-N 376.445 3.401 30 40 GGEB O=C1C(Nc2ccc(O)cc2)=C(n2nnc3ccccc32)C(=O)c2ccccc21 100116258 WEEKBLWLSZJPQL-UHFFFAOYSA-N 382.379 3.497 30 40 GGEB CCOC(=O)CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2 20573746 VWLKSSFIFUWXGK-UHFFFAOYSA-N 389.521 3.104 30 40 GGEB C/C(O)=N/S(=O)(=O)c1ccc(NC(=O)CSc2ccc(C)cc2)cc1 987735 MWXSWXLLMXIDTA-UHFFFAOYSA-N 378.475 3.391 30 40 GGEB C=CCc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(O)c(OC)c1 23761801 NCPUGBVRBSMZAS-UHFFFAOYSA-N 396.487 3.176 30 40 GGEB N#Cc1ccc(COC(=O)[C@H]2Cc3ccccc3CN2C(=O)c2ccco2)cc1 3344235 XFUBQAAZBMZYNF-HXUWFJFHSA-N 386.407 3.462 30 40 GGEB N#Cc1cccc(S(=O)(=O)/N=C(\O)c2ccc(COCC(F)(F)F)cc2)c1 48599514 MUFXPAWDEQSTBH-UHFFFAOYSA-N 398.362 3.331 30 40 GGEB C=CCn1c(C)cc(C(=O)CSc2nnnn2-c2ccc(OC)cc2)c1C 3542850 KPGBUVCUDSNGOV-UHFFFAOYSA-N 383.477 3.250 30 40 GGEB Oc1nc(N/N=C/c2ccc(Br)cc2)nnc1Cc1ccccc1 9087775 IRDHEKBJNZWTSZ-YBFXNURJSA-N 384.237 3.377 30 40 GGEB CCOC(=O)Cc1nnc(SCc2ccc(C#N)cc2)n1Cc1ccco1 6590206 WGOCEWHYMILJCH-UHFFFAOYSA-N 382.445 3.189 30 40 GGEB COc1cc(C(=O)OCC(=O)[C@H](C#N)c2nc(C)cs2)ccc1OC(F)F 6605963 YZQSCVVNYGPVFJ-NSHDSACASA-N 396.371 3.095 30 40 GGEB CCc1ccc(C[C@H]2S/C(=N/N=C/c3ccc([N+](=O)[O-])cc3)NC2=O)cc1 5961706 AZJUAASYOKCKHR-XNHPLOEXSA-N 382.445 3.321 30 40 GGEB C=CCN(CC(=O)Nc1ccc(C(=O)NC)cc1)Cc1ccc(Cl)s1 7592124 CMJIFMZGBHORDB-UHFFFAOYSA-N 377.897 3.388 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccccc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218055119 LPWLGDPEPPTFOT-ZIFCJYIRSA-N 389.860 3.353 30 40 GGEB C#CC(C)(C)OC[C@H](O)C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCCCCC1 226071968 JYXDBVZAONXORJ-HXUWFJFHSA-N 375.489 3.275 30 40 GGEB CCCCCCCCn1c(N2C[C@H](C)C[C@@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 97987815 VHAMZBQDKNQVMG-HZPDHXFCSA-N 389.544 3.266 30 40 GGEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3cccc(Cl)c3C)c(=O)n2c1 6809431 OBKSBHFPBFLCLI-UHFFFAOYSA-N 376.803 3.141 30 40 GGEB C[C@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12328811 MHGRJFQCCMDUDZ-AEFFLSMTSA-N 376.460 3.236 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(Br)cc2)cc1 17138573 MVIKQGOVRUSCMS-HNNXBMFYSA-N 388.217 3.324 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(F)c1 19882195 WUZHLKGIWSJUPI-LJQANCHMSA-N 397.450 3.141 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccccc1C 20028964 WPPMTBIZQLKTPS-IRWQIABSSA-N 397.471 3.171 30 40 GGEB COc1ccc(C/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N/O)cc1 36034691 URHNFWAQTJNDJE-MPGAHLTBSA-N 398.459 3.425 30 40 GGEB biogenic C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(C)c(C)c3)no2)c1=O 38652747 AMOXSJKDCHPGBO-UHFFFAOYSA-N 388.427 3.064 30 40 GGEB COc1cc(/C=N/Nc2nc3nonc3nc2Nc2ccc(F)cc2)ccc1O 98086408 FUGIPXWEPOXFEU-AWQFTUOYSA-N 395.354 3.056 30 40 GGEB CC#CC[C@@H](C)[C@H](O)/C=C\[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O 204491118 CTPOHARTNNSRSR-XGAHZTJVSA-N 398.499 3.286 30 40 GGEB N#Cc1ccc(N2CCC(NC(=O)C[C@@H]3OCCc4ccccc43)CC2)cc1 583652262 VNUTVKMSRVZSSO-QFIPXVFZSA-N 375.472 3.347 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 4965246 XPKKRARZJQAJRX-QGZVFWFLSA-N 388.468 3.106 30 40 GGEB Cc1cc(=O)n(CC(=O)Nc2cccc(C#N)c2)c(Nc2ccc(F)c(C)c2)n1 57507830 IHSAIVYKGBEDGG-UHFFFAOYSA-N 391.406 3.253 30 40 GGEB C=CCSc1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccc(C)cc2)s1 11529679 CXXBGHZTSCNKKD-CQSZACIVSA-N 376.507 3.331 30 40 GGEB C=CCS[C@]1(Br)NC(C)(C)C[C@@]2(C)OC(=O)[C@@H](C(C)C)N12 19324877 MLMCNDZVLTUDMQ-KCPJHIHWSA-N 377.348 3.283 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12986241 NIKPMUDIMFVWAY-LBPRGKRZSA-N 376.372 3.222 30 40 GGEB Oc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4199408 JMDBLVJDBRHCBR-RCCKNPSSSA-N 381.484 3.004 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccco2)c1 6197072 ZQTKRYABORHHPZ-GOSISDBHSA-N 385.416 3.293 30 40 GGEB O=C(O)c1ccc(Cl)c(-c2ccc(/C=N/N3C(=O)CSC3=S)o2)c1 409339290 GXIWELBOICTFHD-UBKPWBPPSA-N 380.834 3.492 30 40 GGEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN(C)C)cc1 8744053 XRCSMICDNNDHAK-LFVOPCPISA-N 398.459 3.052 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2083318 HPAKILCZTKWIFK-PZCAJWILSA-N 388.504 3.382 30 40 GGEB biogenic N#CCOc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 33683162 QWGLCNDEHRGHAX-LSCVHKIXSA-N 376.170 3.101 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)C3=CC[C@]21C 254018996 SGOCZEFVBBHDQY-SJUNZOOLSA-N 398.499 3.324 30 40 GGEB C[C@H]1c2cc3c(cc2CCN1CC(=O)Nc1cccc(C#N)c1)OCCCO3 5422900 GAIAQWRWVRAJJR-HNNXBMFYSA-N 377.444 3.277 30 40 GGEB CC(C)c1ccc(/C=c2/sc(=C(C#N)C#N)n(Cc3ccccc3)c2=O)cc1 6201361 CFEVDRAADKPJNF-CIAFOILYSA-N 385.492 3.108 30 40 GGEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F)C1CCCCC1 102442786 QIWYPYBVRVDVPS-FTFAEBDGSA-N 396.509 3.007 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2cccc(O)c2)/C1=C(\O)c1cccs1 102645316 IWMNRIYNAIEGAG-DLBSFMOSSA-N 385.441 3.054 30 40 GGEB CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(C(=O)OC)cc1 3094443 PEOAJKCOESRKOU-IBGZPJMESA-N 383.444 3.394 30 40 GGEB CC[C@H](NC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1)c1ccc(C)cc1 7312581 MEKDXXHKUIOPOC-IBGZPJMESA-N 385.489 3.068 30 40 GGEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 101316701 VQMBELZOPUSLIR-WMEZAZGNSA-N 380.535 3.067 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(=O)N(c2ccccc2)C1=S 107590073 UHTMIEWCTMPXCK-LFIBNONCSA-N 392.436 3.145 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)N1CCCCC1 64619257 LPEMEGQOFQSSCV-QWHCGFSZSA-N 376.400 3.496 30 40 GGEB N#Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 4783692 DPTFRUYEDMCUIL-CYBMUJFWSA-N 384.233 3.312 30 40 GGEB COc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C#N)o2)cc1 4943127 KDTJEBWSUHTEHP-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB COCCCN1C(=O)CS/C1=N\c1c(C)nn(Cc2ccc(F)cc2)c1C 17079653 GZGWYHKRBNSPCE-VZCXRCSSSA-N 390.484 3.287 30 40 GGEB COc1ccc(C2(C(=O)Nc3ccc(OC(C)=O)cc3C#N)CCOCC2)cc1 225781651 PCURADYATKBRJU-UHFFFAOYSA-N 394.427 3.179 30 40 GGEB COc1cc(OC)c([N+](=O)[O-])cc1/C=N\NC(F)(F)C(F)(F)C(F)(F)F 409030228 CNUPCROTXCTESV-SDPNRITHSA-N 393.215 3.326 30 40 GGEB C/C=C1/Oc2c(ccc(O)c2[C@@H](C)N2CCN(C(=O)OC(C)(C)C)CC2)C1=O 256053728 SPHWLYHLEHNECR-JWYAVWBNSA-N 388.464 3.485 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c(OC)c1 14608176 AEGQQNKWZSCYAN-YUNKPMOVSA-N 392.415 3.304 30 40 GGEB C=CCOc1ccccc1/C=c1\sc2nc(-c3cccc(C)c3)nn2c1=O 2397176 VKWDZXROIWMWFA-AQTBWJFISA-N 375.453 3.239 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1ccc(F)cc1 1378531 OOFNOKFSQDDKBH-QGZVFWFLSA-N 388.468 3.106 30 40 GGEB C#CCN(Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1)[C@H]1CCc2ccccc21 47405887 QAXHYKKQKZNTOS-IBGZPJMESA-N 389.455 3.063 30 40 GGEB COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 12661905 LKIBGRZTZMJKEF-SLGALJGGSA-N 399.531 3.354 30 40 GGEB biogenic Cc1cc(C)cc(N(CCC#N)C(=O)CN(C)Cc2ccc3c(c2)OCCO3)c1 12766677 YCCXEYNFJFSPDI-UHFFFAOYSA-N 393.487 3.453 30 40 GGEB C=CCOc1ccc(Br)cc1/C=C1\NC(=S)N(CCC)C1=O 3667783 XHXNJYQJDSIUEM-RAXLEYEMSA-N 381.295 3.482 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 5271812 LXLUPOPHDQQEKM-LGCYAQKOSA-N 392.546 3.041 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccnc1 4537392 BDIVJQCMGYFGNN-IBGZPJMESA-N 380.444 3.313 30 40 GGEB Cc1cc(C(=O)O)ccc1-c1ccc(C=Nn2c(O)nc3ccccc3c2=O)o1 409346111 LCHMYZBTOUDGSK-UHFFFAOYSA-N 389.367 3.251 30 40 GGEB COc1cccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c1OC 4127210 FEVYSYBMYNALQF-AXNOTKAXSA-N 392.415 3.213 30 40 GGEB C=C[C@](C)(O)[C@@H]1C[C@H]2[C@](C)(O1)[C@H](O)[C@@H](OC(C)=O)[C@H]1C(C)(C)CCC[C@]12C 247999508 CTWGHMFXWBBNSE-KBNKSHJOSA-N 380.525 3.226 30 40 GGEB biogenic,in-vitro C=C(C)CNC(=S)N/N=C/c1ccc(OC(=O)c2cccs2)c(OC)c1 3321364 QAKOBIWQOQQGRO-RGVLZGJSSA-N 389.502 3.350 30 40 GGEB C=CCNC(=S)Nc1ccc2c(c1)nc(CSc1nccc(C)n1)n2C 12323601 IEHYRCJSBNRHGP-UHFFFAOYSA-N 384.534 3.436 30 40 GGEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4[nH]3)=C2N)c(Br)c1 5009277 KDUQMVSGZCBXFW-UHFFFAOYSA-N 383.249 3.350 30 40 GGEB COc1cc([C@@H]2CC(=O)Nc3sc4c(C)c(C#N)c(N)nc4c32)ccc1O 20328995 BAYWPRTYMKWPHJ-JTQLQIEISA-N 380.429 3.247 30 40 GGEB CC(C)c1ccc([C@@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 912744 PJIAADISTVZKPR-QGZVFWFLSA-N 399.450 3.362 30 40 GGEB COc1cc(/C=C/C(=O)c2cccc(N3CCCC3=O)c2)cc([N+](=O)[O-])c1O 36477413 LYSCAWOJEBMNQM-BQYQJAHWSA-N 382.372 3.332 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(C)o2)c1 13119700 KVCJJLOAGNMDAH-SFHVURJKSA-N 385.416 3.211 30 40 GGEB Cc1cc(F)cc2[nH]c(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C#N)cc12 95939181 YKMUBQVFFBSPIB-PXAZEXFGSA-N 386.427 3.104 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2sccc2[C@H]1C 24916619 GGLBMLBROANDLB-CYBMUJFWSA-N 379.489 3.358 30 40 GGEB CCC(NOC/C=C/Cl)=C1C(=O)CC(C[C@H](C)[S@@](=O)CC)CC1=O 196068389 WALVSPYBSLAJMH-MHAKBEIJSA-N 375.918 3.020 30 40 GGEB in-vitro Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 1279214 LOMCRALKFFEJSZ-OVCLIPMQSA-N 382.514 3.251 30 40 GGEB COc1cc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)cc(OC)c1OC 20572853 NEEVGWDWDTXATF-PXNMLYILSA-N 399.443 3.404 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2Cc1ccc(C#N)cc1F 40023602 SOVJPKFMTLWHRQ-UHFFFAOYSA-N 387.480 3.291 30 40 GGEB C=CCN1C(=O)N(c2ccccc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 4520183 GNGYLBBPGJIKDO-SFHVURJKSA-N 379.416 3.047 30 40 GGEB N#Cc1ccccc1COC(=O)c1ccccc1S[C@H]1CCS(=O)(=O)C1 7567316 QFWRUUHUJDWLTE-INIZCTEOSA-N 387.482 3.194 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1cccc(F)c1)C(C(=O)OC)=C(C)N2 8132259 MFRKEHJTDXJRLV-AWEZNQCLSA-N 387.436 3.192 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(C)Cc2cccs2)n(C[C@H]2CCCO2)c1C 8533502 BYWIFSWJORCMJB-MRXNPFEDSA-N 386.521 3.288 30 40 GGEB COc1cc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1OC 18195887 RHEUEAZUUZECJU-INIZCTEOSA-N 399.447 3.342 30 40 GGEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S1 408861075 MEMLNWBJORETLX-YVLHZVERSA-N 398.440 3.359 30 40 GGEB COc1ccc(/C=N/N=C2/SCC(=O)N2Cc2ccc(F)cc2)c(OC)c1 2342725 KQGPFQKXVQDGJL-UIEFACPBSA-N 387.436 3.308 30 40 GGEB COc1ccc(CN2C(=O)[C@H](C)S/C2=N/N=C/c2cccc([N+](=O)[O-])c2)cc1 13748060 NLGUWFXQBPUYAE-AGIUAZGDSA-N 398.444 3.457 30 40 GGEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc(C)on2)cc1OC 32978697 MIAFWEJUNWMGTM-KRWDZBQOSA-N 386.448 3.378 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c(S)nnc1-c1cccnc1 6008335 PQGGSUQQLLXPBZ-CIAFOILYSA-N 375.461 3.314 30 40 GGEB C=CCc1ccc(OCCCn2c(CNC=O)nc3ccccc32)c(OC)c1 7545344 WIQXDPXDNFJSQY-UHFFFAOYSA-N 379.460 3.489 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(C)n(C2CC2)c1C 7575611 CKYGRKJQSIJKSF-UHFFFAOYSA-N 387.461 3.489 30 40 GGEB C=CCc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(OCC)c1OCC 409407064 SHYSPDUBAWXNHT-CPLUKWAASA-N 394.471 3.354 30 40 GGEB CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 257350466 XQVPPASTQTXMTK-XYMPSPCLSA-N 388.504 3.380 30 40 GGEB CCc1nnc(N[C@H](C)CN2CCN(c3ccccc3)CC2)c(C#N)c1CC 1650779643 OSOUTYFSLJXCRX-QGZVFWFLSA-N 378.524 3.096 30 40 GGEB C/N=C1/S[C@@H](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C(=O)N1C 105789573 SGCMMDDVGOTUHJ-AUXBAGKGSA-N 379.791 3.247 30 40 GGEB COc1cccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 102929379 LRWPZPGNBUMHFS-ASBLKLPYSA-N 399.468 3.357 30 40 GGEB Cc1cc(Cl)c(S(=O)(=O)NNC2=CC(=O)CC(C)(C)C2)c(Cl)c1 849598 USYYKBJLJICVPE-UHFFFAOYSA-N 377.293 3.358 30 40 GGEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CCN1c1ccc(Br)cc1 1269082 LTKAYXDFZXXTKV-UHFFFAOYSA-N 383.249 3.432 30 40 GGEB CCOC(=O)[C@@](Cl)(NC(=O)c1c(F)c(F)c(F)c(F)c1F)C(F)(F)F 1650007 YRMNVTUWZMPAIT-LLVKDONJSA-N 399.621 3.172 30 40 GGEB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3C#N)cc2)C1 4264003 YCSKQTZGVJQLBX-OAHLLOKOSA-N 383.473 3.231 30 40 GGEB C/C(=N\OCC(=O)OCC(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2 7442254 WWPCGJLANABTIH-PXLXIMEGSA-N 383.400 3.199 30 40 GGEB O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 15015942 XILPDJAHGMWMLJ-UUASQNMZSA-N 387.348 3.354 30 40 GGEB Cc1c(-c2ccccc2)sc2ncn(CC(=O)N[C@](C)(C#N)C(C)C)c(=O)c12 17130431 RZWHGHLMCFWIEF-OAQYLSRUSA-N 394.500 3.488 30 40 GGEB COc1cc(Br)c(S(=O)(=O)Nc2cccc(C#N)c2)cc1OC 17319746 GOFUZELYLMQTQZ-UHFFFAOYSA-N 397.250 3.139 30 40 GGEB Cc1ccc(NC2=NC(=O)[C@H](C#N)C3(CCN(Cc4ccccc4)CC3)N2)cc1 20673364 KOBOBMAPZVGNTO-FQEVSTJZSA-N 387.487 3.067 30 40 GGEB C=CCc1ccccc1OCc1ccc(C(=O)Nc2cn(CC)nc2C(N)=O)o1 28239023 ZYKHCZVNLUVMEB-UHFFFAOYSA-N 394.431 3.155 30 40 GGEB C=CCN(CC(=O)Nc1ccccc1CC)S(=O)(=O)c1ccc(F)cc1 72233916 FTTCCEFAPDHTHQ-UHFFFAOYSA-N 376.453 3.204 30 40 GGEB C[S@]([O])(=O)=C1C=CC(Oc2cc(F)cc(C#N)c2)=C2CC(F)(F)C(O)=C21 1560403744 NVTHYGUGDVRBDT-UHFFFAOYSA-N 382.339 3.183 30 40 GGEB Cc1ccc(S(=O)(=O)ON/N=C(\C(=O)c2ccccc2)c2ccccc2)cc1 105017580 OWFXEUYLRQRWBW-XDOYNYLZSA-N 394.452 3.492 30 40 GGEB CCN(CC)S(=O)(=O)c1cccc(N/N=C2/C=CC(=O)c3ccccc32)c1 102943234 NNRFENJMRZKJKH-QOCHGBHMSA-N 383.473 3.286 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2cccc(O)c2)/C1=C(\O)c1cccs1 102645321 IWMNRIYNAIEGAG-NLWPQFNZSA-N 385.441 3.054 30 40 GGEB COc1cc(/C=N/n2cnc3c([nH]c4ccc(Cl)cc43)c2=O)cc(OC)c1O 2297623 JODVHBTYUYVPJZ-GZIVZEMBSA-N 398.806 3.136 30 40 GGEB Cn1nnc2c[n+](CC(=O)c3ccc4ccccc4c3)cc(Br)c21 2274391 OXTWOFOMWUURDJ-UHFFFAOYSA-N 382.241 3.054 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3cccs3)nnc12 3365301 GHPSWMUQKPLXSQ-UHFFFAOYSA-N 382.470 3.267 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccsc2c1=O 14019096 XMEUXFMEVOKBPY-KPZWWZAWSA-N 390.534 3.179 30 40 GGEB Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1cc(N(C)C)nc(N(C)C)n1 4511945 YVNJTBWXNKGUHT-CIAFOILYSA-N 398.902 3.202 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NCCCn3ccnc3)c(=O)oc2c1 6665025 GYBGLAGCNRMQAW-UHFFFAOYSA-N 395.459 3.002 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)c2cncc(Br)c2)c1C 6932662 FKHICVDDTYGFAL-UHFFFAOYSA-N 377.238 3.488 30 40 GGEB COc1ccc(OC)c(COc2ccc(/C=N/n3c(C)nnc3S)cc2)c1 408844978 DSZIFUQKWIACTL-RGVLZGJSSA-N 384.461 3.354 30 40 GGEB COc1ccc(/C=C2\S/C(=N\N=C\c3cccc([N+](=O)[O-])c3)NC2=O)cc1 5214865 IRDLQMZCIKTALE-WJEOPBEZSA-N 382.401 3.197 30 40 GGEB COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@@H]21 12885975 AQSSCMNLIVYIHH-NONFQHQLSA-N 385.504 3.312 30 40 GGEB biogenic CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(N)[nH]c(=O)c32)cc1 17080611 OUGHPBUZGRIGEK-MRXNPFEDSA-N 394.475 3.342 30 40 GGEB N#CCCN(C(=O)COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 3499622 UGUGDQTWCRKWNZ-UHFFFAOYSA-N 387.779 3.352 30 40 GGEB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncc(Br)cc2C#N)C1 2087131106 GPHPENQNQYKQGG-CQSZACIVSA-N 379.302 3.189 30 40 GGEB O=C(C[C@@H]1S/C(=N/N=C/C=C/c2ccccc2)NC1=O)Nc1ccc(F)cc1 4279930 DIPDKVKKJDEORF-LSQMCENDSA-N 396.447 3.441 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)C(C#N)C#N 100616525 WLKNWVQEAWYUDX-UXHICEINSA-N 387.399 3.376 30 40 GGEB CCc1ccc(/C=c2/sc(=C(C#N)C#N)n(-c3ccc(C)cc3C)c2=O)cc1 33740251 YCTHPGMCVKXLMF-CIAFOILYSA-N 385.492 3.105 30 40 GGEB COC(=O)COc1c(Cl)cc(/C=N/NCc2ccccc2OC)cc1OC 20761545 JQQFLRRSTMQNTD-UFFVCSGVSA-N 392.839 3.033 30 40 GGEB N#Cc1cccc(NC(=O)[C@H](Cc2ccccc2)N2C(=O)c3ccccc3C2=O)c1 3221841 KQYPSHGULGRFFL-NRFANRHFSA-N 395.418 3.404 30 40 GGEB Cc1cc(=O)c(C(=O)OCc2ccccc2C#N)nn1-c1ccc(Cl)cc1 11015144 CJBISXFMDIOQKM-UHFFFAOYSA-N 379.803 3.423 30 40 GGEB CC/N=C1/S[C@@H](CC(=O)Nc2cccc(Br)c2)C(=O)N1CC 4689422 YUEICUWBQRHJNF-FUYOWACXSA-N 384.299 3.118 30 40 GGEB CCOC(=O)c1c(C)oc(NC(=O)COC(=O)c2cc(C)cc(C)c2)c1C#N 6601845 YMBMOVXBWNCNNZ-UHFFFAOYSA-N 384.388 3.049 30 40 GGEB COc1ccc(NC(=O)C[n+]2cc(-c3ccc(OC)cc3)n3c2CCC3)cc1 17207447 KMOJCEMCMWKMGD-UHFFFAOYSA-O 378.452 3.045 30 40 GGEB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCC#N 409033793 LTLUFMFSSHMBGB-VBKFSLOCSA-N 379.441 3.202 30 40 GGEB CC/N=C1/S/C(=C2\C(=O)Nc3ccc(Br)cc32)C(=O)N1CC 13121664 XCUIVDODLIPBRZ-NMWAQIDBSA-N 380.267 3.084 30 40 GGEB O=C1C(n2nc3ccccc3n2)=C(n2nc3ccccc3n2)C(=O)c2ccccc21 28294761 DWEKOOCTYFFSNR-UHFFFAOYSA-N 392.378 3.081 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccco1 102496564 CRSAEGFTRIIUKS-WOOAAIBNSA-N 398.459 3.052 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@@H]2c2ccc(O)cc2)no1 102865749 BRBOQLAJYQIGHG-GHNGSUTGSA-N 376.368 3.315 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 12783030 KKCYQFNVHGNBPL-SFHVURJKSA-N 395.287 3.221 30 40 GGEB CCOC(=O)COc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1OC 10119043 LNWLEIUDTOFSNR-WSDLNYQXSA-N 376.840 3.414 30 40 GGEB N#CCCN(C(=O)CSc1nc(-c2ccccc2)cn1N)c1ccc(F)cc1 6567097 MXOMRCKNEPDDAH-UHFFFAOYSA-N 395.463 3.442 30 40 GGEB N#Cc1c(NC(=O)CSc2nnnn2C2CCCCC2)sc2c1CCC2 8325648 DYLQNUONGAMBNA-UHFFFAOYSA-N 388.522 3.331 30 40 GGEB CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(O)cc1O 409305841 NQHJUXZIOHMNCG-UHFFFAOYSA-N 388.221 3.015 30 40 GGEB C=C[C@@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O[C@H](C)C(=O)O)C1=O 409241067 NCPSQPWLNGPYRC-NINOGWQASA-N 377.418 3.158 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@@H](O)c1cccc2ccccc12 70636245 RPCXJWZRJZLUGG-LJQANCHMSA-N 393.830 3.153 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218104707 BCCYQJWVJNWMJZ-IRFCIJBXSA-N 399.468 3.016 30 40 GGEB Cc1cccc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)c(C#N)c3cnnc(O)c23)c1 1772820590 VFVLUXBYMUKJIJ-DLBZAZTESA-N 389.463 3.336 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)C1=O 12363510 CMOYQMRWMAWJPS-ATVHPVEESA-N 380.375 3.053 30 40 GGEB CC(=O)c1ccc(N2C(=O)[C@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 2389767 IZFRHVGXLVTGBH-SFHVURJKSA-N 381.350 3.172 30 40 GGEB CCCCCCCCn1c(N2C[C@@H](C)C[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 97987814 VHAMZBQDKNQVMG-HOTGVXAUSA-N 389.544 3.266 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302405 NCJMZROTOYPMFB-ZNWLFMFGSA-N 394.562 3.458 30 40 GGEB CC[C@@H](C(=O)Nc1cccc(C#N)c1)n1ncc(-c2ccc(Cl)cc2)nc1=O 33324690 HRNBLELTDKANMJ-SFHVURJKSA-N 393.834 3.420 30 40 GGEB CC(C)c1ccc([C@H]2C3=C(Nc4c2c(=O)[nH]c(=O)n4C)c2ccccc2C3=O)cc1 912746 PJIAADISTVZKPR-KRWDZBQOSA-N 399.450 3.362 30 40 GGEB C=CCNC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 20889252 AUBZACFGGNPDOY-UHFFFAOYSA-N 376.865 3.007 30 40 GGEB CC(C)CCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 5100457 UIWPXBMNHOBEOJ-WYMPLXKRSA-N 390.447 3.418 30 40 GGEB CSCC[C@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 6506196 VEVQISMKZBEPRU-KRWDZBQOSA-N 380.473 3.424 30 40 GGEB CCOc1ccc(NC(=O)NC(=O)COc2ccc(C#N)cc2)cc1OCC 5868045 HRFCKIAVIBFOCU-UHFFFAOYSA-N 383.404 3.083 30 40 GGEB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1N)C(=O)Nc1ccc(C#N)cc1 8394434 IAQFBTATUDIFIY-LLVKDONJSA-N 398.879 3.303 30 40 GGEB Cn1ccnc1[C@@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccccc1 21521721 ZVNYLZULURVNRS-IBGZPJMESA-N 380.835 3.230 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)N[C@H](C#N)c3ccc(F)cc3)CC2)c(F)c1 505986163 GJQQYNBSDXJOFD-LJQANCHMSA-N 380.398 3.434 30 40 GGEB CC(C)c1nnc(/N=C(\O)C2=C(c3ccccc3)S(=O)(=O)CCO2)s1 31818055 OIIBYZZIYPNZSM-UHFFFAOYSA-N 379.463 3.063 30 40 GGEB N#Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@H](Oc4ccccc4)C3)C2)c(F)c1 598398580 KCXALIBSIBSLNW-PKOBYXMFSA-N 379.435 3.204 30 40 GGEB C=CCOc1ccc(NC(=O)[C@H](CC)N(c2ccccc2)S(C)(=O)=O)cc1 13711640 GJCDQKMAAHCNIU-IBGZPJMESA-N 388.489 3.435 30 40 GGEB N#C[C@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 19819351 DGJRJCDPPXOSJR-CABCVRRESA-N 391.818 3.391 30 40 GGEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccn1 19938507 WYKSGIVWAVWPTJ-HXUWFJFHSA-N 393.487 3.392 30 40 GGEB C[C@@H]1CN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)CC[C@@H]1O 12224604 LUOQHHOPNDKBMD-JPYJTQIMSA-N 385.467 3.115 30 40 GGEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 17244297 GABRFRZVNHDYMU-CALCHBBNSA-N 376.522 3.167 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1cccc(OC)c1 102712062 LETOHCPMIHYSTN-HVESIFNPSA-N 387.457 3.215 30 40 GGEB N#Cc1cc2c(nc1SCC(=O)NCc1ccc3c(c1)OCO3)CCCCC2 730208 MNWUNHJPSPMVME-UHFFFAOYSA-N 395.484 3.359 30 40 GGEB COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(C)=O)ccc2C1=O 12878599 CIUCOGQQCVRXIY-ZBKNUEDVSA-N 384.384 3.296 30 40 GGEB biogenic COc1cc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O 9009235 OGNGCBLOJZRQOI-QGZVFWFLSA-N 396.355 3.073 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(C)o1 6785308 BXQZIRRYQGJCIS-HVESIFNPSA-N 388.489 3.413 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccn2)nnc1-c1ccc(OC)cc1 8715890 MPZDATJFXHKOKE-UHFFFAOYSA-N 381.461 3.266 30 40 GGEB COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)cc2)S1 408721291 NYQBGALVZLWKLI-RGEXLXHISA-N 395.484 3.423 30 40 GGEB COc1ccc2cc(/C=C3\Cc4cc(OC)c(OC)cc4C3=O)c(=O)[nH]c2c1 85876344 TUGZYCLFXWQTHK-RIYZIHGNSA-N 377.396 3.376 30 40 GGEB biogenic C[N@+]1(CC(=O)c2ccccc2)[C@H]2CC[C@@H]1C[C@H](OC(=O)[C@H](O)c1ccccc1)C2 261506653 REFUXNZBPJQVLU-LMFLMHRHSA-N 394.491 3.286 30 40 GGEB N#CCN1CCC[C@H]1c1cccc(Nc2nc(C(=O)N3CCCC3)cs2)n1 585293348 FIPRBMFBTPJUHI-INIZCTEOSA-N 382.493 3.178 30 40 GGEB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(CC#N)cc1 5260230 MGYHSRWYBFGQKE-UHFFFAOYSA-N 379.445 3.073 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 19592851 YFPONEQMUHROOB-QFIPXVFZSA-N 392.499 3.016 30 40 GGEB Cc1cc(C(=O)Cn2cnc(C#N)n2)c(C)n1-c1ccc(Br)cc1 14143431 ZZXXKCARSPBQQK-UHFFFAOYSA-N 384.237 3.203 30 40 GGEB N#CC1(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)O[C@@]23CCCC[C@@H]2[C@@]1(C#N)C(=N)O3 102751074 PGTLFXAZVUYTGB-LVFSCSRESA-N 377.360 3.104 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)C)c1ccc(Cl)cc1 4890403 NDLKQHXRTZECQF-HNNXBMFYSA-N 392.912 3.476 30 40 GGEB COc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc(F)cc2)N(C)C1=O 4957296 APMAFUSCZWLYPP-BSBNDGSWSA-N 387.436 3.424 30 40 GGEB COC(=O)/C=C1/S/C(=N\Nc2ccc([N+](=O)[O-])cc2)N(c2ccccc2)C1=O 94992772 GZPXMJTYLCPFTI-OTUPYVCLSA-N 398.400 3.115 30 40 GGEB N#Cc1ccccc1OCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3327749 RLHKXSCGMQGHPM-UHFFFAOYSA-N 389.377 3.305 30 40 GGEB N#Cc1cnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)nc1N 8192166 KQAWYDFIHYNSGC-UHFFFAOYSA-N 397.460 3.093 30 40 GGEB N#C[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@@H]1c1cccc2ccccc12 19961505 KKHKPCBRTRSEBA-QZTJIDSGSA-N 399.454 3.137 30 40 GGEB Cc1nnc(S)n(/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1=O 408820689 ZGTJRWIHZKOBSH-LSHDLFTRSA-N 393.447 3.260 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@@]2(C#N)C(=O)O)cc1 218382159 QAPGDBRNYPOZDN-LZLYRXPVSA-N 375.833 3.183 30 40 GGEB C=CCc1cc(C(=O)NCc2cccc(CN3CCOCC3)c2)ccc1OC 224729099 DYUVQPVSRPOHFX-UHFFFAOYSA-N 380.488 3.186 30 40 GGEB IC#CC#CCCCCC#CI 48520663 MCOBVFZONHORTN-UHFFFAOYSA-N 381.982 3.342 30 40 GGEB O=C(Cc1n[nH]c(=O)c2ccccc12)OC/C(O)=N/c1ccc2ccccc2c1 5269623 PAOBRIHCTDZWJR-UHFFFAOYSA-N 387.395 3.450 30 40 GGEB N#Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 5298894 PDVHYEQZYNDWIW-CYBMUJFWSA-N 395.893 3.065 30 40 GGEB C#CCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc(NC(C)=O)ccc21 100875835 BZYDAMKFNFXGIS-LNVKXUELSA-N 393.468 3.191 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N2 100951128 RELRXULTOKMTNR-OAHLLOKOSA-N 399.472 3.061 30 40 GGEB C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(=O)OC)cc1 5561789 IOSHMJGYKZYDLG-GOSISDBHSA-N 375.380 3.311 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccc2F)/C1=C(\O)c1ccco1 102898429 ALOBKEYDIARBRO-SELCWUDQSA-N 378.359 3.436 30 40 GGEB COc1cc2[nH]c(=S)n(/N=C/c3ccc(N(C)C)cc3)c(=O)c2cc1OC 4741240 OYGHIIIBYAASHG-RGVLZGJSSA-N 384.461 3.024 30 40 GGEB COc1ccccc1C(=O)N1CCN(c2oc(-c3cccs3)nc2C#N)CC1 6756549 RHQRIOYRJNJHPB-UHFFFAOYSA-N 394.456 3.246 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(C)o1 6785178 BXQZIRRYQGJCIS-GROYHEBESA-N 388.489 3.413 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@@H]2c1ncc[nH]1 12348722 AUUKQDPTMSTKNL-MRXNPFEDSA-N 375.432 3.089 30 40 GGEB O=C(NC1(C#Cc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1ccncc1 12670776 WYDGQWUNSFLKQL-UHFFFAOYSA-N 388.471 3.310 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cc(C)cc(C)c1 12753894 GZBDSOCEWNDXJR-HSZRJFAPSA-N 389.455 3.407 30 40 GGEB COc1cc(/C=C/C(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC(F)F 14181437 QPNSIVYFUHFDJO-ZZXKWVIFSA-N 390.342 3.371 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCOCC2)SC1=S 20310793 PNMCSLKZUALUTL-LGMDPLHJSA-N 397.525 3.459 30 40 GGEB COc1ccc(CN2CCN(c3cc(C#N)cc([N+](=O)[O-])c3C)CC2)cc1OC 42109644 LQKDHWDTRVYOBH-UHFFFAOYSA-N 396.447 3.114 30 40 GGEB C=CCn1ncc(CN2CCC3(CC2)Nc2ccccc2C2=NCCCN23)c1C 72342671 QEGPFGXHQOFZMN-UHFFFAOYSA-N 390.535 3.248 30 40 GGEB O=C1N[C@H](c2ccccc2F)/C(=C(\O)c2ccc(Br)cc2)C1=O 101062557 UYQZXJRUTXAALH-SXWSKBOKSA-N 376.181 3.298 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2c2ncccn2)cc1 102515326 WCBJLYIZYXZFBG-UYTDBDHRSA-N 377.425 3.473 30 40 GGEB CCOc1cc(/C=C2/C(=O)ON=C2C)cc(I)c1OC 408939532 SUVNZLPLQVESFU-BJMVGYQFSA-N 387.173 3.015 30 40 GGEB COC(=O)c1ccc(/C=C2\S/C(=N/c3cccc(C(=O)O)c3)N(C)C2=O)cc1 1007728 QEOFPLISNZVEIS-KBCROIKQSA-N 396.424 3.405 30 40 GGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCO[C@H](C)C3)c2)c1 58014296 MVQMDWHUQUKQSD-MRXNPFEDSA-N 378.428 3.126 30 40 GGEB CCCCN1C(=O)[C@](NC(=O)C2CC2)(C(F)(F)F)C2=C1CC(C)(C)CC2=O 4019080 QOWNJJYHBGNUOO-SFHVURJKSA-N 386.414 3.099 30 40 GGEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccn2)s1 13720120 HWJXBQWUZDBXEY-CYBMUJFWSA-N 384.442 3.086 30 40 GGEB N#CCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 7654159 BYJQGSRJBBMCQE-UHFFFAOYSA-N 398.875 3.161 30 40 GGEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c1 408937701 OESXRHHRXPTXJE-BOPFTXTBSA-N 380.787 3.018 30 40 GGEB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc(C#N)cc3)n2)c1 19928962 NGHRKLUZTSMYDX-UHFFFAOYSA-N 395.444 3.091 30 40 GGEB COc1cc([C@@H]2Nc3nonc3NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O 12389737 VXNSQBKIFLWZNY-HNNXBMFYSA-N 386.408 3.014 30 40 GGEB COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)c(OC)c1 44920050 ZOQXPTHCTNJLNF-IBGZPJMESA-N 378.432 3.430 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccncc1 1225104 QKSAEVXUSLDKFF-UHFFFAOYSA-N 393.472 3.460 30 40 GGEB COc1cccc(/C=C2\S/C(=N/Nc3nc(C)c(C)s3)NC2=O)c1O 6483811 HTRXFQOHRYUQQD-GHXNOFRVSA-N 376.463 3.061 30 40 GGEB COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1Br 955858 AGZUDRGLRSXEMA-OAHLLOKOSA-N 375.226 3.071 30 40 GGEB N#CCCN(C(=O)CN1CCN(c2ccccc2Cl)CC1)c1ccccc1 35393001 UEMPIJYYDHDUFT-UHFFFAOYSA-N 382.895 3.409 30 40 GGEB O=S1(=O)CC[C@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 2677929 QRFCFSQIEGQLQH-YPKZHZFPSA-N 383.448 3.284 30 40 GGEB Cc1ccc(N=C2S/C(=C\c3ccc(OCC(N)=O)cc3)C(=O)N2C)cc1C 408961483 CMFWRKXNVOLRCB-DDOGFQLYSA-N 395.484 3.401 30 40 GGEB Cn1nc(C(=O)N2CCCS/C2=N\c2ccccc2)c2ccccc2c1=O 5559074 MJKITHMVFSOUBO-MRCUWXFGSA-N 378.457 3.200 30 40 GGEB COc1cc(-c2c(-c3ccccc3)c[nH]c(=N)c2C#N)ccc1OCC(=O)O 408978138 HFBSYQJSLLASIZ-UHFFFAOYSA-N 375.384 3.172 30 40 GGEB CSc1nc(NCCN2CCOCC2)c(C#N)c(-c2ccc(Cl)cc2)n1 19820602 FKLQHGGRAZPPQP-UHFFFAOYSA-N 389.912 3.135 30 40 GGEB Cc1cccc(C)c1NC1=NNC(=C2C=CC(=NS(C)(=O)=O)C=C2)CS1 9591468 YPEZHYJEILYGJY-UHFFFAOYSA-N 388.518 3.103 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccncc1)n1nc(SCc3ccccn3)nc1N2 18198888 JIEBUYZANCZJSB-GOSISDBHSA-N 390.472 3.382 30 40 GGEB CCOc1ccc(NC(=O)CN(C)c2ccc(C#N)cc2[N+](=O)[O-])cc1OCC 8777276 YOCZWGWWQWIOLO-UHFFFAOYSA-N 398.419 3.339 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1[N+](=O)[O-] 409288355 GLYITLQVEBICHF-UHFFFAOYSA-N 387.193 3.258 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220136684 NNMFKHGGJYIWSD-INIZCTEOSA-N 388.489 3.353 30 40 GGEB N#CCOc1ccccc1C=N/N=C1\C(=O)Nc2ccc(Br)cc21 254294788 NXRSSUIPWHSIDP-UHFFFAOYSA-N 383.205 3.127 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCCC2 5966440 LQEZVTXJSJJAOL-UHFFFAOYSA-N 385.401 3.202 30 40 GGEB C=CCOc1ccccc1CN1[C@H]2CC[C@@H]1c1cnc(N3CCOCC3)nc1C2 19016104 XTADSYIFCZBXQA-GHTZIAJQSA-N 392.503 3.140 30 40 GGEB Cc1ccc(NC(=O)CN2CCN(/C(O)=N/Cc3ccc(C)c(F)c3)CC2)cc1 31727578 LASHCTHEGFNGPK-UHFFFAOYSA-N 398.482 3.113 30 40 GGEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1 102861100 COWPWAPHSMUXSM-WOOAAIBNSA-N 398.459 3.052 30 40 GGEB N#Cc1ccc(N2CCN(Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)c(F)c1 79051033 CFSLKZGVYFXUOF-UHFFFAOYSA-N 381.367 3.069 30 40 GGEB N#Cc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)ccc1Cl 25766665 TUBXNTIXVVBXNL-UHFFFAOYSA-N 375.837 3.139 30 40 GGEB N/C(=N/OCC(=O)Nc1cccc(F)c1)c1cccnc1Oc1ccccc1 58005172 ZLPMDLUAFOBHPI-UHFFFAOYSA-N 380.379 3.289 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CNCCc3ccc(F)cc3)C(=O)O[C@@H]1C2 4028683 MMPZDIHKVXWPMI-XPRTXTSQSA-N 387.495 3.485 30 40 GGEB biogenic Cc1c(NC(=S)N/N=C/C=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C 13635943 ULJCFLCTAIQOEY-TZLYQZOHSA-N 391.500 3.470 30 40 GGEB O=C1/C(=C/c2ccncc2)Oc2cc(OS(=O)(=O)c3ccccc3)ccc21 5370584 LFGAPLNFTVAYMR-UNOMPAQXSA-N 379.393 3.466 30 40 GGEB COC(=O)C1=C(C)NC(C)=C(C(C)=O)[C@H]1c1cc(Br)ccc1OC 5559162 TZZSEXKHKVJUQQ-QGZVFWFLSA-N 394.265 3.455 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccncc3)c(=O)oc2c1 6661802 RDUJJGNRUQWOQY-UHFFFAOYSA-N 378.428 3.310 30 40 GGEB C=CCn1c(SCN2C(=O)c3ccccc3C2=O)nnc1-c1ccccc1O 408541781 DSDVKWIVMLANSG-UHFFFAOYSA-N 392.440 3.183 30 40 GGEB COc1ccc(-c2ncc(/C=N/NC(=S)Nc3ccccc3)cn2)cc1OC 217039725 GBUTZTMCWQXIPM-YDZHTSKRSA-N 393.472 3.481 30 40 GGEB N#Cc1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)cc1F 573685979 HPFZMNLWRMIUTA-DYXWJJEUSA-N 379.435 3.411 30 40 GGEB COc1cc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)cc(OC)c1OC 84139878 SEEYOGZMUPIRHL-UHFFFAOYSA-N 384.432 3.058 30 40 GGEB CCOC(=O)[C@@](NC(=O)CC)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F 2281179 FRLBXXPJYRHVER-OAHLLOKOSA-N 391.415 3.250 30 40 GGEB N#Cc1ccccc1NC(=O)/N=c1\c2ccccc2[nH]c(=O)n1Cc1ccccc1 101113842 UEQVOYVFBXOUSG-SZXQPVLSSA-N 395.422 3.382 30 40 GGEB Cc1nnc(=O)[nH]c1N/N=C/c1ccccc1OCc1c(F)cccc1Cl 4422694 ZMMAMASUHVZJJU-ZVBGSRNCSA-N 387.802 3.291 30 40 GGEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C/c1ccccc1C 5163395 LDSDKJHSKKAEEQ-CPNJWEJPSA-N 390.465 3.380 30 40 GGEB CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/C(C)=O)NC3=O)o2)cc1 5598614 RPUGGBKSVMVDGC-YBEGLDIGSA-N 384.413 3.230 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 7737140 DGZRJFVWUJTBDE-QGZVFWFLSA-N 394.427 3.081 30 40 GGEB N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1cccc(Cl)c1 19961406 CLERWKSODXDYON-LSDHHAIUSA-N 391.818 3.391 30 40 GGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(OCCC)c(OCC)c1 28290247 NJGQNRZECXZOAN-SFHVURJKSA-N 390.505 3.396 30 40 GGEB C/C(=N\OCC(=O)OCc1cn2ccccc2c1C#N)c1ccc2c(c1)OCO2 32898995 MSSOVBOUWURDCC-OEAKJJBVSA-N 391.383 3.024 30 40 GGEB COc1ccc2c(c1)CCC[C@H]2C/C(O)=N/S(=O)(=O)c1c(C)noc1C 65764154 CLASIORHYUMZQR-AWEZNQCLSA-N 378.450 3.455 30 40 GGEB CSc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccccc2)s1 102571267 CZJRVYFHODWAET-REQDGWNSSA-N 399.453 3.479 30 40 GGEB O=C1N[C@H](c2ccc(F)cc2)/C(=C(\O)c2ccc(Br)cc2)C1=O 102594085 HIPJXOZMSJLKBK-SXWSKBOKSA-N 376.181 3.298 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2)cc1 102880062 LVHXLFJZCRSAPA-GHNGSUTGSA-N 387.395 3.112 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 852710 IODAQPOKPQCAQF-ZKKFKWFVSA-N 379.415 3.436 30 40 GGEB biogenic Cc1ccc(SCC(=O)OCc2nc3ccccc3c(=O)n2CC#N)cc1 5958643 NWNDXBOCNRXEFE-UHFFFAOYSA-N 379.441 3.064 30 40 GGEB CCOC(=O)c1c(C)[nH]c(/C(C)=N/NS(=O)(=O)c2cc(C)ccc2C)c1C 6154888 BUKBARUQUKYPDR-RCCKNPSSSA-N 391.493 3.128 30 40 GGEB N#Cc1c(NC(=O)CSc2nc3ccccc3c(=O)[nH]2)sc2c1CCCC2 6610106 XHIMZTDUIURLKA-UHFFFAOYSA-N 396.497 3.466 30 40 GGEB COc1ccc(CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@@H]32)cc1 12660029 SBUJQWNPHRABOX-SJHWQXQCSA-N 399.531 3.354 30 40 GGEB biogenic N#Cc1ccc(NC(=O)CCN2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 12737429 KHQWXPXCPYEWNQ-SFHVURJKSA-N 376.460 3.238 30 40 GGEB N#Cc1ccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1 19799161 JXOMQFWDACENAW-UHFFFAOYSA-N 391.500 3.263 30 40 GGEB COc1ccc(OC)c([C@H]2C3=C(CCCC3=O)Nc3[nH]c(SC)nc(=O)c32)c1 959834 MFMPAHGXHUMGNX-HNNXBMFYSA-N 399.472 3.074 30 40 GGEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)C(=O)N(O)C(=O)C[C@@H]4[C@@H]3CC[C@@H]2C1 8616317 LSLMBSPEDYWCBK-XMZYFPKTSA-N 377.481 3.315 30 40 GGEB C=CCn1c(SCC(=O)NCC(F)(F)F)nc2cc(Cl)ccc2c1=O 3340968 QLTBZONXWWUDDI-UHFFFAOYSA-N 391.802 3.007 30 40 GGEB COc1ccccc1/N=C/[C@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408740870 IUHQMNUAODJJPV-NPNVKNKFSA-N 387.848 3.115 30 40 GGEB Cc1ccc(OCCN2C(=O)C[C@@H](C(=O)O)S/C2=N\c2ccccc2)cc1 40546204 FIOBTUJHKVJKTF-UNEBPCJRSA-N 384.457 3.480 30 40 GGEB COc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(OC)cc3)C(=O)N2C)cc1 96502373 OKXJPWIDCYXUEG-XGIGFIBQSA-N 399.472 3.294 30 40 GGEB C=CCS(=O)(=O)N1[C@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 249698711 WGEQXZNEIQPTCQ-NOLJZWGESA-N 375.412 3.453 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cccc(Cl)c2)CC1 6669862 FZDAMUJPMHRSGL-UHFFFAOYSA-N 382.807 3.422 30 40 GGEB C=CCNC(CCCN1C(=O)c2ccccc2C1=O)=C1C(=O)CC(C)(C)CC1=O 100140000 SZQWSAIMSKTNQB-UHFFFAOYSA-N 394.471 3.051 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)n1 6650409 PTNFHQJEBFZLMW-AWEZNQCLSA-N 380.473 3.426 30 40 GGEB Cn1c2ccc(Br)cc2c2nnc(N/N=C\c3ccccc3O)nc21 4737657 GETBZFHRGWAXDB-OCKHKDLRSA-N 397.236 3.431 30 40 GGEB N#Cc1ccccc1COC(=O)c1ccccc1S(=O)(=O)N1CCCCC1 7020966 NZFXUUSDJKTPQL-UHFFFAOYSA-N 384.457 3.090 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)nc1C 7150057 XTLYIIVZPYHQMB-STQMWFEESA-N 375.494 3.320 30 40 GGEB C=CCN1CCN(C(=O)CC)C[C@@H](Cc2cccc(-c3cccnc3)c2)C1=O 19498928 ROAIIOTZBXBCTC-OAQYLSRUSA-N 377.488 3.174 30 40 GGEB COc1cccc(/C=C2\Oc3c(CN4CCOCC4)c(O)cc(C)c3C2=O)c1 20573617 BLSSBNYUBUTMDZ-UNOMPAQXSA-N 381.428 3.158 30 40 GGEB N#CC1(c2ccccc2)CCN(S(=O)(=O)c2cccc3cccnc23)CC1 642827 STQRTZWIQZYFFI-UHFFFAOYSA-N 377.469 3.481 30 40 GGEB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)Nc3cccc(C#N)c3)c2)C1 3221663 HKPKZTNDCAAALY-HOTGVXAUSA-N 397.500 3.477 30 40 GGEB C=CCn1c(SCC(=O)NC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 3458670 AEYJPFPJNKEUMC-GFCCVEGCSA-N 391.562 3.386 30 40 GGEB O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 5271119 KYSRLDWLRLKZNG-BPNFLLTHSA-N 392.546 3.258 30 40 GGEB FC(F)(F)c1ccccc1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2 5626306 PNJJBBZOYOBLPN-DNTJNYDQSA-N 378.383 3.347 30 40 GGEB COc1ccc2c(CC(=O)OCC(=O)[C@H](C#N)c3nc(C)cs3)coc2c1 7777941 KTIUMVDZNZSXKC-HNNXBMFYSA-N 384.413 3.169 30 40 GGEB Cc1nn(Cc2ccc(C#N)cc2)c(C)c1S(=O)(=O)N1CCc2ccccc21 11102074 DQOSOXIAKVWZSI-UHFFFAOYSA-N 392.484 3.171 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nnc([C@H](C)N(C)C)n1-c1ccc(Cl)cc1 16927699 PUFHTIYGAZNXMA-QWHCGFSZSA-N 393.944 3.326 30 40 GGEB Cc1cc(O)c(CN2CCN(C)CC2)c2c1C(=O)/C(=C/c1cccc(F)c1)O2 20573508 CGICVISEQBUGHI-UNOMPAQXSA-N 382.435 3.203 30 40 GGEB COc1ccccc1N1CCN(c2oc(COc3ccccc3)nc2C#N)CC1 27664634 SVDPNMJFFDHMKV-UHFFFAOYSA-N 390.443 3.460 30 40 GGEB N#Cc1cccnc1N1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)CC1 32089646 FWSDWWJKTXXMLC-SFHVURJKSA-N 395.850 3.036 30 40 GGEB CCS(=O)(=O)c1ccc2c(c1)N/C(=C/C(=O)c1ccc(Cl)cc1)C(=O)O2 100873607 YGWYBAFCNPHOTH-XNTDXEJSSA-N 391.832 3.231 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)[C@]2(C#N)C(=O)O)cc1 242648314 QRNWOCVUAQFZNO-NUJGCVRESA-N 375.833 3.183 30 40 GGEB Cc1[nH]nc(O)c1C(c1ccc(-c2ccccc2C#N)o1)c1c(O)n[nH]c1C 409083751 LODQINFQUSGLMT-UHFFFAOYSA-N 375.388 3.473 30 40 GGEB Cc1nc(C)c(F)c(OCC2CCN(c3ncc(C#N)cc3Cl)CC2)n1 1888869706 ULRKRISVDUVVQR-UHFFFAOYSA-N 375.835 3.448 30 40 GGEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1\N=C(c2ccccc2)N(N)C1=O 8653495 ZRVUJGRCXDPKOE-PGMHBOJBSA-N 398.470 3.132 30 40 GGEB CCCC(=O)N1CCN(c2oc(/C=C/c3cccc(OC)c3)nc2C#N)CC1 21799879 CVUIJWRZDJVHQR-CMDGGOBGSA-N 380.448 3.174 30 40 GGEB C=CCOc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC 14186798 MKQLQUUTOLGHMA-UHFFFAOYSA-N 388.508 3.025 30 40 GGEB COC(=O)c1c(N)c(-c2nc3ccccc3s2)nn1-c1ccc(C#N)cc1 6650322 RKJUDDQMBXCCPK-UHFFFAOYSA-N 375.413 3.389 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(F)cc1 6812674 HENZZUHAHPAWRH-HVESIFNPSA-N 388.464 3.261 30 40 GGEB COCCN(Cc1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C#N)cc1 71965574 NCGWBDOEAKZMKX-UHFFFAOYSA-N 394.880 3.058 30 40 GGEB Cc1cc(C)n(CC(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)c(=O)c1C#N 409412488 OVWFDGKAISKWCQ-UHFFFAOYSA-N 395.202 3.191 30 40 GGEB CN/C(=N\c1cccc(F)c1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 18143898 IMCDEVNHOSQKQR-MRXNPFEDSA-N 387.436 3.107 30 40 GGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1ccccc1C(=O)O)n1ncnc1N2 18196368 XGTBKDMGDFDMNO-VOJFVSQTSA-N 392.440 3.454 30 40 GGEB N#Cc1cc(F)c(S(=O)(=O)N(C2CC2)C2(C#N)CCC2)cc1Br 585138368 KLJXLOWIDBWDIY-UHFFFAOYSA-N 398.257 3.059 30 40 GGEB COc1ccc(Cl)cc1NC(=O)N1CC[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]21 2070420394 ZIYMTHZBLNNSHD-RHSMWYFYSA-N 397.866 3.358 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccc(C(=O)OC)cc2)sc2cccc(OC)c21 100909737 HDSXARFCKCBQHL-MRCUWXFGSA-N 382.441 3.425 30 40 GGEB N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccccc1 6471826 CHPXGVVRBAWXEO-UHFFFAOYSA-N 391.452 3.289 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 1108067 RSQVUAMDIQUPDX-QQNJPBSNSA-N 393.442 3.432 30 40 GGEB biogenic CC1=C[C@@H](CC#N)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(c2cnccn2)CC1 30882440 DMNAQKTVHWQKIX-AABGKKOBSA-N 381.524 3.284 30 40 GGEB biogenic,in-vitro N#CCC(=O)Nc1ccc(C(=O)NCc2ccccc2CN2CCCCC2)cc1 13022209 CSEKTMKIQCOIQX-UHFFFAOYSA-N 390.487 3.455 30 40 GGEB COc1cc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc(OC)c1OC 5129617 CCYJEJCPWNEPAI-RUDMXATFSA-N 383.444 3.445 30 40 GGEB C=CCc1cc(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc(OCC)c1O 100765701 FLOPHNDMROQXBZ-RTBURBONSA-N 397.519 3.268 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccc(C)o2)c1 13119698 KVCJJLOAGNMDAH-GOSISDBHSA-N 385.416 3.211 30 40 GGEB COc1ccc(/C=C2/CS(=O)(=O)c3ccccc3C2=O)cc1OC(F)F 96792619 IQKVUGYMUADTCQ-WQLSENKSSA-N 380.368 3.350 30 40 GGEB N#CCCn1cc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c2ccccc21 78477866 NCKWZKXXNVOGPW-GDNBJRDFSA-N 385.470 3.231 30 40 GGEB CC#CCSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1 95961140 HFOIFHMPFWXZJX-UHFFFAOYSA-N 377.491 3.027 30 40 GGEB N#Cc1ccc(OCCOC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1 25036835 YTMDFMPVXNNSTJ-UHFFFAOYSA-N 395.415 3.305 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc(Cl)cc1 34864606 QJUYDAOYNVIYEJ-UHFFFAOYSA-N 377.853 3.063 30 40 GGEB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCC#N 408810888 JSWQYLAJLIEDQO-UHFFFAOYSA-N 384.412 3.500 30 40 GGEB CCOc1cc(/C=C2/Oc3cc(O)ccc3C2=O)ccc1O[C@@H](C)C(=O)N(C)C 96930457 LVQVTLLSYCSERL-HSWQHBDASA-N 397.427 3.263 30 40 GGEB CC(=O)OC[C@@H]1O[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 118936647 KNXNDGHPTWDHLL-HRWGNQOISA-N 388.504 3.190 30 40 GGEB CC[C@@H](C)Oc1c(OC)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409406437 JWNVLHWWYMQFIP-ZBERQUOHSA-N 398.459 3.022 30 40 GGEB N#CCc1ccc(NC(=S)NCc2ccc(CN3CCCC3=O)cc2)cc1 225648730 NLRCYYWECIVDFN-UHFFFAOYSA-N 378.501 3.362 30 40 GGEB COc1cc2cc(C#N)c(SCC(=O)Nc3cc(C)on3)nc2cc1OC 15935931 NVBXIJDZNBHAQO-UHFFFAOYSA-N 384.417 3.151 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cccc(OCC)c21 100909849 JWKGXFAPMHGNAB-VXPUYCOJSA-N 381.413 3.384 30 40 GGEB C#CCn1/c(=N\C(=O)c2cccc(OC)c2OC)sc2cc([N+](=O)[O-])ccc21 101034616 IXVPDVWEKKUBRJ-FMQUCBEESA-N 397.412 3.003 30 40 GGEB N#Cc1cc(C#N)c(S[C@H](C(=O)NC2CCCC2)c2ccccc2)nc1N 30831876 UYCZOPUHUAESGT-KRWDZBQOSA-N 377.473 3.299 30 40 GGEB CC(C)CNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 5030814 YQBQLDMKLITYJM-FOKLQQMPSA-N 376.420 3.028 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccncc2)cc1 6275835 JGKKDCUBOCWJET-GOSISDBHSA-N 391.383 3.170 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2ccccc2)cc1 6786612 LURRMFVHAIXNRM-AZUAARDMSA-N 393.439 3.453 30 40 GGEB C=CCSc1nnc(NC(=O)/C=C/c2nnc3c4ccccc4cnn23)s1 14015779 JBQNYDWECLIZIV-BQYQJAHWSA-N 395.473 3.059 30 40 GGEB O=S(=O)(Cc1ccc(Cl)nc1)/N=C(\O)COc1ccc2c(c1)CCC2 58149646 SMLOJDBOTOKRFF-UHFFFAOYSA-N 380.853 3.089 30 40 GGEB O=S(=O)(NCC#CCN1CCc2ccccc2C1)c1ccc2ccccc2c1 77197669 BCQJJFRZHZWNAY-UHFFFAOYSA-N 390.508 3.180 30 40 GGEB C/C(=N\CCCn1ccnc1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O 100593853 JIOVSFSCBTULNK-FYJGNVAPSA-N 380.477 3.180 30 40 GGEB CC/N=C1\S[C@H](CC(=O)Nc2ccc(C)cc2Br)C(=O)N1CC 100857194 MISDRCOKHUFENO-LTRYHMRKSA-N 398.326 3.426 30 40 GGEB CCOC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218106409 LNERLULUPMWVLJ-ACRUOGEOSA-N 385.485 3.490 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 222259582 PZWBSSICWQQYSR-WBJUMAMISA-N 391.383 3.386 30 40 GGEB N#Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCCO3)sc2c1CCCC2 408625371 XYBMIRYAXZNTME-UHFFFAOYSA-N 399.497 3.397 30 40 GGEB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCC#Cc1cccc(C(F)(F)F)c1 22975970 FMCRMPQJJDPNNR-UHFFFAOYSA-N 395.402 3.199 30 40 GGEB Oc1ccc(Br)cc1/C=N\NC(=S)Nc1ccc2cn[nH]c2c1 4822277 IPTWKVRBGZADAS-LSCVHKIXSA-N 390.266 3.352 30 40 GGEB CC(C)CNC(=O)c1ccc(NCC(=O)NC2(C#N)CCCC2)cc1Cl 55886074 QYBPSLFRDWLUFY-UHFFFAOYSA-N 376.888 3.090 30 40 GGEB CC1CCC2(CC1)NC(N1CCN(c3ccc(Cl)cc3)CC1)=NC(=O)[C@H]2C#N 20636700 UMNDGXYARCEORQ-BPVAQJAMSA-N 399.926 3.036 30 40 GGEB C=C[C@@H](C)N1C(=O)S/C(=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 409011879 OTJJCABDOORBGF-XXKFPOPISA-N 377.418 3.158 30 40 GGEB C=CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC 18067160 SCQZZCUDTFRCHW-LJQANCHMSA-N 379.412 3.468 30 40 GGEB Cn1c(=O)n(C)c2cc(/N=C/c3c(O)ccc4cc([N+](=O)[O-])ccc34)ccc21 1505840638 JTTSPFMBZQARAL-SRZZPIQSSA-N 376.372 3.395 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(C)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218333935 AMPWPPVNXAQBOG-DYXWJJEUSA-N 383.469 3.316 30 40 GGEB C[C@H](NC(=O)COCC(=O)Nc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 199409835 GOLSXOGREGBVBN-KZZKVKKMSA-N 395.503 3.234 30 40 GGEB O=C1C[C@@H](c2ccco2)CC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 14608157 AHGMVWBFMMRGOO-KPZWWZAWSA-N 377.360 3.195 30 40 GGEB O=c1c2ccccc2ncn1/N=C/c1sc(=O)n(-c2ccccc2)c1Cl 16676046 JSYXJYWCULCJBQ-UFFVCSGVSA-N 382.832 3.145 30 40 GGEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 16741156 WSKVDUFPDVJNBH-IAOFPLEJSA-N 386.926 3.050 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@@H](C)O)cc1 18166928 AVHHGEOUXVWJLN-QRWLVFNGSA-N 395.455 3.353 30 40 GGEB O=c1c(/C=N/C[C@H]2CCCO2)c(C(F)(F)F)[nH]n1-c1nc2ccccc2s1 100718252 ITCGAWSXFRCAGK-PRMNVEQPSA-N 396.394 3.392 30 40 GGEB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCC3)c1C 3369661 GNPORCDOSPSITI-UHFFFAOYSA-N 399.472 3.442 30 40 GGEB COc1ccccc1C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(C)cc2)S1 13071657 CFYRKIMZQKPVDG-KRWDZBQOSA-N 383.473 3.120 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl 408880606 FYXBAVLNSCVZJI-PTNGSMBKSA-N 396.855 3.183 30 40 GGEB Cc1cc(C(=O)OC[C@H](C#N)Cc2ccc(F)cc2)ccc1N1CCNC1=O 68491051 HUFLACJFECGEGB-INIZCTEOSA-N 381.407 3.203 30 40 GGEB CC(C)C[C@H](/C(O)=N/c1nc(C(F)(F)F)n[nH]1)N1Cc2ccccc2C1=O 95476840 YJYCMVOPCNQXJF-GFCCVEGCSA-N 381.358 3.482 30 40 GGEB Cc1cncnc1N1CCC[C@]2(CCCN2C(=O)c2ccc(C#N)cc2)CC1 1615102581 XOTYFVFCOBNVFI-QFIPXVFZSA-N 375.476 3.322 30 40 GGEB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)CC(=O)N(CCC#N)c1ccccc1 40066972 UUUWCJAAUCZLKF-KRWDZBQOSA-N 399.516 3.030 30 40 GGEB CCOC(=O)CCC(=O)[C@@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 32682262 JMMUGAMNLMMGRA-CYBMUJFWSA-N 388.445 3.347 30 40 GGEB O=C(O)c1cc(N/N=C2/CCS(=O)(=O)c3ccc(F)cc32)ccc1Cl 33617242 QROIYNOCTJMNAI-ZHZULCJRSA-N 382.800 3.171 30 40 GGEB O=C(Nc1ccc(Cl)cc1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1 35379940 BSDYZMOBHKOCLF-UHFFFAOYSA-N 392.868 3.455 30 40 GGEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2262341 UQKLLKKMJWVVRI-UHFFFAOYSA-N 383.411 3.478 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12878680 GZUUZULNWZQEDN-AEFFLSMTSA-N 377.444 3.203 30 40 GGEB CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)c1ccc(C#N)cc1 5860812 RWRJXKHOUPMJQI-UHFFFAOYSA-N 398.440 3.469 30 40 GGEB O=C(c1cc(=O)[nH]c2ccccc12)N1CCS/C1=N\CCc1ccccc1 16050581 IYXOOIYACOFHGY-DQRAZIAOSA-N 377.469 3.316 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccs1)C(C(=O)OC)=C(C)N2 7990947 QEYILGMCGAXZDF-GFCCVEGCSA-N 375.475 3.114 30 40 GGEB COc1cccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc4ccccc34)C2=O)c1 408536094 PRCCIJWRLCXRAA-GOSISDBHSA-N 387.395 3.450 30 40 GGEB CCOc1cc([C@@H]2NC(=O)N(N)C(C)=C2C(C)=O)ccc1OCc1ccccc1 408730592 IISPOSRGTPKBHF-NRFANRHFSA-N 395.459 3.467 30 40 GGEB CCCCCCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O 53368345 BKCLIWOILCHCEQ-UHFFFAOYSA-N 395.507 3.327 30 40 GGEB C=CCOC(=O)[C@@H]1[C@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 13566098 RXEFEKFVTCJSBE-NRJQMVOHSA-N 384.476 3.197 30 40 GGEB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CS(=O)(=O)Cc1ccc(C#N)cc1 40129592 DQJIKKQCFIYPFY-UHFFFAOYSA-N 398.528 3.429 30 40 GGEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 40154092 DVFVINARUBJISS-KBPBESRZSA-N 396.413 3.441 30 40 GGEB N#Cc1ccccc1COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1 13102227 QXSYLWQDDTVBCN-UHFFFAOYSA-N 381.409 3.482 30 40 GGEB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 6085644 HLSBTOTUFNNZKJ-HOTGVXAUSA-N 397.500 3.477 30 40 GGEB COCCCn1c(SCc2ccc(-c3ccccc3C#N)cc2)n[nH]c1=O 14189823 AEOTWCKQNNJRKC-UHFFFAOYSA-N 380.473 3.439 30 40 GGEB Cc1cc(C)nc(NC/C(O)=N/c2nc(CCc3c[nH]c4ccccc34)n[nH]2)n1 95480282 QUFMYFHOTCAQCS-UHFFFAOYSA-N 390.451 3.178 30 40 GGEB COc1c2c(cc3c1[C@H](C#CCOc1ccc(F)cc1)[N+](C)(C)CC3)OCO2 8764443 OPABYATVNJSWTD-SFHVURJKSA-N 384.427 3.319 30 40 GGEB biogenic C#CCOc1ccc(/C=C2\SC(NC(=O)CCC)=C(C(=O)OCC)C2=O)cc1 409082748 NABWNFYCPLMELM-SSZFMOIBSA-N 399.468 3.046 30 40 GGEB C=CCSc1nnc(NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)s1 223981359 PUDHSMOWROGZFL-VQHVLOKHSA-N 393.490 3.494 30 40 GGEB C=CCOc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)cn1 225944652 FPCKEOQUBNFIRT-UHFFFAOYSA-N 382.416 3.062 30 40 GGEB COCCCN1C(=O)CS/C1=N\c1ccn(Cc2c(F)cccc2Cl)n1 101647526 IRJJJZVTSFFZTR-JZJYNLBNSA-N 396.875 3.323 30 40 GGEB CCCCCCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(C)CC1 2415138 KXTPLPWPHBUPDZ-QGZVFWFLSA-N 395.507 3.112 30 40 GGEB CN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 3533774 LEVBCBONGSBXHF-UHFFFAOYSA-N 398.271 3.124 30 40 GGEB COc1ccc(CC(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)c(OC)c1 4090410 HVBUMURYPIQGDD-NDENLUEZSA-N 395.455 3.164 30 40 GGEB biogenic COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 4889190 DTBUPBBUEMGDBU-JKSUJKDBSA-N 382.464 3.051 30 40 GGEB Cc1nn(CC(=O)Nc2c(Cl)cccc2C(F)(F)F)c(=O)c(C#N)c1C 7780761 DKBRKVKTUKVERV-UHFFFAOYSA-N 384.745 3.043 30 40 GGEB CCc1cc(N2CCN(C(=O)C(C)C)CC2)n2c(nc3ccccc32)c1C#N 8746497 WPZQSSGXNXTIKC-UHFFFAOYSA-N 375.476 3.226 30 40 GGEB C[C@@H](Cn1cncn1)C(=O)NC1(C#Cc2cnc3ccccc3c2)CCCCC1 12133356 RVSGGNSBVCAUCT-SFHVURJKSA-N 387.487 3.333 30 40 GGEB COc1cc(C#N)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)CCN2C(C)=O 12847075 AXOIHUREWZWGTL-UHFFFAOYSA-N 399.834 3.147 30 40 GGEB C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCCc3ccccc32)c1 29257611 AIKXKAGTJYSKJO-FQEVSTJZSA-N 384.501 3.301 30 40 GGEB NC(=O)COc1cccc(/C=C2\SC(O)=N\C2=N/c2ccc3c(c2)OCO3)c1 72403115 ACBYACHLVMEISY-APSNUPSMSA-N 397.412 3.011 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2ccccn2)/C1=C(\O)c1cccs1 102805481 PNYDAZDLUQTMIS-HVESIFNPSA-N 377.425 3.160 30 40 GGEB NC(=O)COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 408764902 UDUGNPZPASOXFX-DHDCSXOGSA-N 387.848 3.096 30 40 GGEB CC[C@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409358614 MHRYFJKIDKLKKC-LBPRGKRZSA-N 382.376 3.070 30 40 GGEB CN(C)c1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795077 UICLVEDAOHWFEU-VQIMIIECSA-N 396.443 3.103 30 40 GGEB Cc1cc(C)n(-c2ccc(SCCC(=O)Nc3ccccc3C#N)nn2)n1 11248104 VTBQRCGNWKBHGY-UHFFFAOYSA-N 378.461 3.272 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2c[nH]c3ccccc23)[C@@H]1c1ccco1 13684005 XFUKTWVPEWUKPM-IBGZPJMESA-N 393.443 3.291 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccco1 5445150 FIYXPFFTAUULMA-GROYHEBESA-N 388.851 3.306 30 40 GGEB C=CCNC(=O)[C@H](C)OC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1 7196461 KKPFAAKFYZOENP-AWEZNQCLSA-N 383.404 3.054 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2cc(C)cc(C)c2)S(C)(=O)=O)c1 408604693 HRRCIWYFRCEGHW-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 32634102 SHETZJNPPWXUAQ-HJUNTIBCSA-N 386.926 3.132 30 40 GGEB CN(C)S(=O)(=O)c1cccc(C(=O)Nc2sc3c(c2C#N)CCCC3)c1 12775263 NYYKZNJJXGHNEQ-UHFFFAOYSA-N 389.502 3.001 30 40 GGEB O=[N+]([O-])c1ccc(/N=C2/N=C(Nc3ccc([N+](=O)[O-])cn3)c3ccccc32)nc1 17108123 DPIXFOJMJMJNAO-UHFFFAOYSA-N 389.331 3.244 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@@H](COc2ncccc2Cl)C1 1890825410 NIAWZMDUAKKAMP-CQSZACIVSA-N 391.880 3.086 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2F)C3=O)CC1 22575522 MGAKNTIQFOUIID-MOSHPQCFSA-N 382.435 3.285 30 40 GGEB Cc1ccccc1C(=O)N1CCC(C(=O)N(C)Cc2cccc(C#N)c2)CC1 40069836 KUEZQSOZMHMOFM-UHFFFAOYSA-N 375.472 3.378 30 40 GGEB Cc1c(C#N)c(NC(=O)CSc2nccn2C)n(Cc2ccccc2)c1C 12604047 QTWYIXDWGNYATA-UHFFFAOYSA-N 379.489 3.489 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc([N+](=O)[O-])ccc3OC)c2C)C1=O 409124363 BPPTTYVIPCWUES-MHWRWJLKSA-N 396.403 3.090 30 40 GGEB O=C1C=CC=C2[C@H]3C[C@@H](C[C@@H]12)CN(c1nc(Cl)nc(NCc2ccco2)n1)C3 4127037 NBQZZMQMYBVCCQ-HEHGZKQESA-N 397.866 3.258 30 40 GGEB CS[C@@H]1C(C(=O)c2ccc(Cl)cc2)=C(CC(=O)O)C(=O)N1CC(C)C 62716453 MFYJMTBWTKYUSG-GOSISDBHSA-N 381.881 3.481 30 40 GGEB COc1ccc2cc([C@@H](C)/C(O)=N/S(=O)(=O)C3CCOCC3)ccc2c1 71844004 OMKQAKQJQKOPCE-CYBMUJFWSA-N 377.462 3.417 30 40 GGEB COc1cc(/C=C2\CN(C)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O 19597346 ZQRGLBNADQCTRG-GONBZBRSSA-N 381.428 3.097 30 40 GGEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCOCC3)C2=O)cc1 22625765 ZMAMHFIRWGISJR-MOSHPQCFSA-N 381.428 3.239 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCO)[C@@H]2c2ccc(Cl)cc2)cc1 104108912 LZRCLJKKZBECSF-SELCWUDQSA-N 385.847 3.453 30 40 GGEB Cn1cc(/C=C2/Oc3c(ccc(O)c3CN3CCOCC3)C2=O)c2ccccc21 20648888 ZGKLGHJVYWODEQ-CIAFOILYSA-N 390.439 3.332 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc(OC)c1 102805005 FDOWQEIOTAHRPK-WOOAAIBNSA-N 381.428 3.153 30 40 GGEB N/C(=N/OCC(=O)N1CCCCCC1)c1ccccc1OCc1ccccc1 84541294 CPTTVNJBRARMGK-UHFFFAOYSA-N 381.476 3.305 30 40 GGEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)[C@@H]2c2ccc(F)cc2)cc1 102534881 BMMSCMGNZBDPDP-LFVOPCPISA-N 399.418 3.293 30 40 GGEB COc1ccc2c(C)cc3nnc(SCC(=O)N[C@@](C)(C#N)C4CC4)n3c2c1 3449346 DEDHHNLJJMODDO-FQEVSTJZSA-N 395.488 3.100 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@@H]1c1cccc(OC)c1 4312554 PKCCYDCEBPADJI-SFHVURJKSA-N 385.416 3.211 30 40 GGEB biogenic C=CCOc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1Br 4815331 HNJFFTLGYNSGQR-RVDMUPIBSA-N 399.244 3.475 30 40 GGEB CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(O)cc1)C1=C(CC(C)(C)CC1=O)N2 5864457 UVAAXIMGSUFXOP-CQSZACIVSA-N 383.473 3.398 30 40 GGEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 69284311 ZLTZJYRVUSXMTA-SFYZADRCSA-N 388.294 3.284 30 40 GGEB CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)S2)cc1 408955749 YYEZJFSUSFXOPF-GZTJUZNOSA-N 398.440 3.440 30 40 GGEB CCOC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 218106484 LNERLULUPMWVLJ-PCCBWWKXSA-N 385.485 3.490 30 40 GGEB N#Cc1cccc(C(=O)N2CC3(C[C@H](CCOc4ccccn4)CCO3)C2)c1 575402871 DBDHECRKCQPLJP-QGZVFWFLSA-N 377.444 3.044 30 40 GGEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)CC)CCO1 19498996 SVTWDCATLFWUOY-XMMPIXPASA-N 392.499 3.206 30 40 GGEB Cc1cc(C)c2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])CCC2 4986981 PMZBGUZHBSTEOQ-CAPFRKAQSA-N 388.449 3.012 30 40 GGEB N#Cc1c(CCCNC(=O)c2cc3ccccc3[nH]2)nn(-c2ccccc2)c1N 33022350 BARVRYSFBWEWGQ-UHFFFAOYSA-N 384.443 3.170 30 40 GGEB C#CCn1/c(=N/C(=O)Cc2ccc(C)c(C)c2)sc2cc3c(cc21)OCO3 100987589 QWENJTUIRUHWHP-DQRAZIAOSA-N 378.453 3.352 30 40 GGEB COc1ccccc1NC(=O)[C@H](C#N)Cc1cc2cc(C)cc(C)c2[nH]c1=O 883093 YFKFDNPLSDUNJK-KRWDZBQOSA-N 375.428 3.475 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccccc1C 33936396 WPPMTBIZQLKTPS-XVSDVWIESA-N 397.471 3.171 30 40 GGEB N#CCCN(C(=O)COC(=O)/C=C/c1cccs1)c1ccc2c(c1)OCCO2 7555313 XULPCBKOEGKWIC-FNORWQNLSA-N 398.440 3.023 30 40 GGEB CCCCCCCCNC(=O)c1nnc2n(c1=O)CCN2c1ccc(C)cc1 101028425 MHVICESKHYAUCI-UHFFFAOYSA-N 383.496 3.189 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)o1 108579634 NAOUXJUEBLIFEY-FYHOCBRTSA-N 390.395 3.176 30 40 GGEB NC(=S)N1N=C(c2ccccc2)/C(=N\Nc2cc(Cl)ccc2Cl)C1=O 100512322 AQAHLZBEYFJSFK-KGENOOAVSA-N 392.271 3.251 30 40 GGEB COc1cccc([C@@H]2[C@H](Oc3cccc(C#N)c3)C(=O)N2C[C@@H]2CCCO2)c1 48290925 FLIKPLKQWZUDRQ-HBMCJLEFSA-N 378.428 3.077 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](CC)(c3ccccc3)C2=O)c1C 4305715 OGSOTWZNCMXFGQ-JOCHJYFZSA-N 379.460 3.331 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@@H]1c1cccc(F)c1)c1ccc(Cl)cc1 5409188 RNYUVEARJVNZGM-MRXNPFEDSA-N 375.783 3.050 30 40 GGEB CCN(CC)C(=O)c1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C#N)c1C 5952358 NYEKCYJXBMZRQG-OLZOCXBDSA-N 389.477 3.016 30 40 GGEB O=C1/C(=N\O)c2cc([N+](=O)[O-])ccc2N1CCOc1cccc2ccccc12 46084789 RSZVLABEPBNOTO-VZCXRCSSSA-N 377.356 3.352 30 40 GGEB C[C@H]1CN(C(=O)c2ccc(-n3cccn3)c(C#Cc3ccccc3)c2)CC[C@H]1O 12224624 LUOQHHOPNDKBMD-FDDCHVKYSA-N 385.467 3.115 30 40 GGEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCOC)cc1 102883009 OSHLRTDATJAHOC-YDJIHCHBSA-N 393.439 3.320 30 40 GGEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2c[nH]c4ccccc24)C3=O)CC1 22863596 XKYCCMQBKCBXCH-MTJSOVHGSA-N 389.455 3.237 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc(Cl)cc1F 12911063 NWQBVUAZUXRADP-UHFFFAOYSA-N 395.843 3.202 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccc(Br)cc3)cc2C1=O 6652326 VKSOCAQUZMZAQZ-UHFFFAOYSA-N 385.217 3.483 30 40 GGEB C[C@@H](OC(=O)CSc1nc2ccccc2o1)C(=O)NC1(C#N)CCCCC1 5969961 QJDUXZOXHFTJPS-CYBMUJFWSA-N 387.461 3.194 30 40 GGEB Cc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccc3c(c2)OCCO3)NC1=O 5932130 PZDSBDMXPNWHKL-QGZVFWFLSA-N 397.456 3.014 30 40 GGEB COc1cc(C#N)ccc1OC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 7066199 LDITZPCQOUEMLG-UHFFFAOYSA-N 397.390 3.485 30 40 GGEB CCOC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 9531517 LWXFZUXGJARORJ-WDDBSPGISA-N 382.368 3.362 30 40 GGEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 36638553 SKKSZAPTZJXDMI-POKOTFKHSA-N 394.562 3.458 30 40 GGEB COc1c2c(cc3c1OCO3)CCN(C)C(C(=O)c1ccc(NC(C)=O)cc1)=C2 49543385 IBUMGZUMPNGRAT-UHFFFAOYSA-N 394.427 3.094 30 40 GGEB biogenic C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1ccc(OC)c(C)c1 224652584 SSCIZABQYXNPLN-UHFFFAOYSA-N 389.473 3.480 30 40 GGEB C=CCn1c(C)nnc1SCC(=O)c1ccc(NC(C)=O)c(SC)c1 43242992 PSSYEBGIQXLBJH-UHFFFAOYSA-N 376.507 3.428 30 40 GGEB Cc1ccc(OC(F)F)c(C(=O)COC(=O)COc2ccc(C#N)cc2)c1 12720427 HWZTXIJGTJMUPL-UHFFFAOYSA-N 375.327 3.273 30 40 GGEB CNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N 12421307 ANGNFDJYBFHBCS-UHFFFAOYSA-N 382.445 3.076 30 40 GGEB COc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)Nc3ncnn32)cc1O 5323212 QTDRNANYOMRBSR-BTYIYWSLSA-N 388.427 3.408 30 40 GGEB CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 40037365 FYRPDXLWXJGIIH-KNQAVFIVSA-N 382.552 3.246 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(O)cc2)/C1=C(\O)c1cccs1 102859414 DAKZQLQYRWRESW-DLBSFMOSSA-N 385.441 3.054 30 40 GGEB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692905 DAZYDFWDMLBOEM-UHFFFAOYSA-N 377.491 3.293 30 40 GGEB CC[C@H]1CCCCN1C[C@H](O)Cn1c2ccccc2n2c(=O)cc(C)c(C#N)c12 4193874 AIYONIJQDRWVHX-ROUUACIJSA-N 392.503 3.060 30 40 GGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 5961492 MGZDIUKPGJDNQU-ZTPSMGMTSA-N 384.384 3.260 30 40 GGEB biogenic CCS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCCC3)cc1 10253088 DBNDSCJLSSBCLC-UHFFFAOYSA-N 388.514 3.473 30 40 GGEB CCCCC(=O)N[C@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(C)=O 12419580 NGRNJDZEMYQDRM-IBGZPJMESA-N 396.409 3.499 30 40 GGEB O=C(CCN1C(=O)COc2ccccc21)Nc1cccc(C#Cc2ccccn2)c1 31081626 HCZAENRRFVGJGZ-UHFFFAOYSA-N 397.434 3.236 30 40 GGEB COc1cc(C(=O)/C=C/c2c(C)nc3sc(C)cn23)ccc1S(C)(=O)=O 57789813 LMJMOOAODUXHCN-VOTSOKGWSA-N 390.486 3.321 30 40 GGEB C/N=C(/NCC(C)(C)c1cccc(F)c1)NC1CCN(c2ccccn2)CC1 95964945 HNHPLPDQNDODJM-UHFFFAOYSA-N 383.515 3.332 30 40 GGEB C=C[C@@]1(C)[C@@H]2CC3=C(O[C@@H](C)CC3=O)O[C@@]2(C)[C@@H](O)C[C@H]1C(C)(C)C(=O)O 514288251 YEXGHUFFSUBLPG-MSINEJRASA-N 378.465 3.055 30 40 GGEB biogenic,in-vitro CC(C)(C)c1cn2nc(N3CCN(c4ncc(C#N)cc4Cl)CC3)ccc2n1 1888897907 MKLJWWNNODTYKT-UHFFFAOYSA-N 395.898 3.273 30 40 GGEB C#CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)c(Cl)c1)CC(=O)N2 4944281 PXVSQPWGSMDMLG-VIFPVBQESA-N 380.256 3.276 30 40 GGEB CCc1noc(C)c1C(=O)OCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 6510257 VHRLFGSSLBNTCB-SNVBAGLBSA-N 387.461 3.399 30 40 GGEB C=C(C)CN(CC)C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 11285240 MJXUEPQDYJNTLE-UHFFFAOYSA-N 384.432 3.422 30 40 GGEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)C1CCOCC1)Cc1ccccc1O2 12365593 ZQSJPUZQBAFWGU-HSZRJFAPSA-N 384.520 3.245 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 20219576 ZBOHODIDHBJJEX-SFHVURJKSA-N 399.878 3.265 30 40 GGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)cc1OC 101231800 USDLPAFUMPPIPY-LFVOPCPISA-N 379.412 3.312 30 40 GGEB COC(=O)CSc1nc2n(n1)[C@@H](c1ccc(C)cc1)C1=C(C[C@H](C)CC1=O)N2 22608571 HVMMHHBAODAENO-SGTLLEGYSA-N 398.488 3.120 30 40 GGEB N#Cc1cccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 6471816 QYGGZTYPSXBYLL-UHFFFAOYSA-N 391.452 3.289 30 40 GGEB Oc1ccc(/C=N/Nc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)c(O)c1 4693672 YTJXFVKKJZPGDE-KEBDBYFISA-N 380.795 3.302 30 40 GGEB CCc1cc2c(=O)n(/N=C/c3cc(Cl)cc([N+](=O)[O-])c3O)cnc2s1 7781345 OVDUCHUMVFGXIY-NGYBGAFCSA-N 378.797 3.170 30 40 GGEB CC(C)(C)n1cc(C#N)cc1NC(=O)c1cc(S(C)(=O)=O)ccc1Cl 84325772 GIQYXKIYWQLHSW-UHFFFAOYSA-N 379.869 3.424 30 40 GGEB Cc1cccc(NC(=O)COc2ccc(/C=N\N3C(=O)CSC3=S)cc2)c1 409328411 UTBXZTNCIPOCIZ-JMIUGGIZSA-N 399.497 3.207 30 40 GGEB C=CCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2cccs2)cc1 225142988 UTZBYJOCABUXTI-UHFFFAOYSA-N 381.475 3.071 30 40 GGEB Cc1onc(C(C)C)c1C(=O)NC1(C#Cc2cncc(C(N)=O)c2)CCCCC1 12337533 KSNHDLWJNSPCQC-UHFFFAOYSA-N 394.475 3.085 30 40 GGEB COc1ccccc1SCC(=O)N1CCN([C@@H](C#N)c2ccccc2)CC1 79015384 HEQFDVIIAHBZPC-SFHVURJKSA-N 381.501 3.196 30 40 GGEB N#Cc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1 3403257 UMMQDYIPOYOYQH-UHFFFAOYSA-N 386.440 3.418 30 40 GGEB CCn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC#N 4939827 PLELXJKUTUXMDG-UHFFFAOYSA-N 375.457 3.430 30 40 GGEB C=CCNC(=O)NC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 5990221 ZAEKRHIDZVSZEJ-GOSISDBHSA-N 384.457 3.075 30 40 GGEB C=CCOc1ccc(/C=C2/CS(=O)(=O)c3c(F)cccc3C2=O)cc1OC 96925159 OSVKKTSFZAFHDJ-UVTDQMKNSA-N 388.416 3.453 30 40 GGEB O=C(C[n+]1cc(-c2ccc(Cl)cc2)n2c1CCC2)Nc1ccc2c(c1)OCO2 27299549 UZJWXTLNHRZOFU-UHFFFAOYSA-O 396.854 3.410 30 40 GGEB Cc1ccc(N2C(=O)[C@H](/C=N/c3ccc(Cl)cc3O)C(=O)NC2=S)cc1 408758491 KZZPWDIYNXGJPN-PCQWDSEFSA-N 387.848 3.120 30 40 GGEB O=C(O)CN1C2=C(C(=O)CCC2)C(c2cccc([N+](=O)[O-])c2)C2=C1CCCC2=O 409038466 PAIOTTRHIJTXBI-UHFFFAOYSA-N 396.399 3.093 30 40 GGEB N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCNC2 528717002 XMEBSLCOTUMCSO-UXHICEINSA-N 376.460 3.472 30 40 GGEB N#Cc1ccc(CSC[C@@H](O)[C@H](O)CSCc2ccc(C#N)cc2)cc1 12374466 IHGDHXMKNPQDTR-WOJBJXKFSA-N 384.526 3.318 30 40 GGEB CCOC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 9531519 LWXFZUXGJARORJ-AOPUEWEHSA-N 382.368 3.362 30 40 GGEB COc1cc(/C=N/n2c(S)nnc2-c2ccc(Cl)cc2)cc(OC)c1O 1473705 FSRGZJUCSGQYJL-DJKKODMXSA-N 390.852 3.492 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC 3094436 GXEIGFRSVLDLKP-FQEVSTJZSA-N 399.487 3.489 30 40 GGEB NS(=O)(=O)c1ccc(-c2ccc(/C=C3\COc4ccccc4C3=O)o2)cc1 3367691 HTBSMXMVWRCHRG-SDNWHVSQSA-N 381.409 3.253 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nc3nc(C)cc(C)n3n2)c1 3466971 WDRYNMWNWNNGJG-UHFFFAOYSA-N 394.504 3.397 30 40 GGEB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)c1 5435545 QERSYHKCBKTBPB-UHFFFAOYSA-N 396.428 3.356 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5489600 CXWWLUXKAYVNGC-SELCWUDQSA-N 384.863 3.323 30 40 GGEB CC1=C(Cl)C(=O)C(Cl)=C(C)C1=NS(=O)(=O)c1cccc([N+](=O)[O-])c1 5950287 RAERAJGASZSZMQ-UHFFFAOYSA-N 389.216 3.333 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(C)o1 6428360 FFHHLHVHSYFRTK-YJYMSZOUSA-N 397.427 3.136 30 40 GGEB biogenic C=CCNC(=O)NC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 12781771 MTLZWEHTWJPACO-SNVBAGLBSA-N 392.506 3.027 30 40 GGEB COc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc([N+](=O)[O-])c1O 16195084 ZUTWWLXIOULYOR-ZSOIEALJSA-N 389.364 3.340 30 40 GGEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\C=C\c2ccccc2)C3=O)CC1 22939871 FHTAMOBCEPMTNP-IITPSFRQSA-N 376.456 3.312 30 40 GGEB CN1/C(=C\C(=O)CN2C(=O)NC3(CCCCC3)C2=O)C(C)(C)c2ccccc21 32666262 FQLJJOYBGUCZCM-AQTBWJFISA-N 381.476 3.122 30 40 GGEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)c2ccc(NC(C)=O)cc2)C1=O 101661906 MOYXNVWZAYJUNM-NRFANRHFSA-N 387.480 3.499 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2cccs2)cc1 102435916 XBOMBPCRAWQMCJ-IBOXJLQUSA-N 393.424 3.173 30 40 GGEB CC(C)CNC(=O)c1csc(Nc2cccc([C@@H]3CCCN3CC#N)n2)n1 585293574 JEJKRWOWBPZTFL-INIZCTEOSA-N 384.509 3.328 30 40 GGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@@H]2c1cccc([N+](=O)[O-])c1 22608222 BUCQPQVWHAQINE-RMLUDKJBSA-N 393.325 3.473 30 40 GGEB Cc1ccc(S(=O)(=O)O[C@H]2C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 104137560 KEFABQULSGVEPI-BHIFYINESA-N 378.473 3.495 30 40 GGEB CCN(C)c1ccc(/C(O)=N/S(=O)(=O)c2c(Cl)nc3ccccn23)cc1 95456255 MSSTWUCEEKHICC-UHFFFAOYSA-N 392.868 3.137 30 40 GGEB Cc1c(N2CCC(NC(=O)c3ccc(F)cc3)CC2)cc(C#N)cc1[N+](=O)[O-] 48279478 DCWACJFOSLXVQT-UHFFFAOYSA-N 382.395 3.313 30 40 GGEB C#CCOc1ccc(CCNC(=O)CCCc2nc(-c3cccs3)no2)cc1 58014637 UKQDUCMUJLPMBY-UHFFFAOYSA-N 395.484 3.492 30 40 GGEB O=S(=O)(/N=C(\O)C1(c2cccc(F)c2)CCC1)c1ccc2c(c1)OCCO2 48461854 DDXAOGWRIHWRNJ-UHFFFAOYSA-N 391.420 3.364 30 40 GGEB O=c1c(/C=N/C[C@H]2CCCO2)c(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1 13638840 UJSXSUFXEXEWDH-SDLXJUDFSA-N 392.415 3.339 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC(=O)O)[C@@H]2c2ccccc2F)cc1 19904232 NTIDWGLOWFXHML-GOSISDBHSA-N 383.375 3.187 30 40 GGEB CCc1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1CC 9699250 TWHNXGROCSPKHC-UHFFFAOYSA-N 375.523 3.403 30 40 GGEB C[C@H]1CCc2nc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)sc2C1 22239832 VQPXSOWDNHNUJB-ZDUSSCGKSA-N 381.505 3.390 30 40 GGEB CCOc1ccccc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408756258 QXAYCMBRDQTIRT-VRCTWVPOSA-N 381.457 3.160 30 40 GGEB N#Cc1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)cc1F 573685986 HPFZMNLWRMIUTA-SBHAEUEKSA-N 379.435 3.411 30 40 GGEB CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C#N)[C@H]1CN(Cc2ccccc2)CCO1 596485347 HHCZQTABOZKKOZ-PLACYPQZSA-N 384.524 3.048 30 40 GGEB NC(=S)Nc1ccc(/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 6276587 BMHLLFAYVAUWLC-REZTVBANSA-N 395.238 3.469 30 40 GGEB COc1cc(OC)c(OC)cc1/C=N/n1cnc2sc3c(c2c1=O)CCCC3 2626174 RVHFVQKTHIDGAB-LSHDLFTRSA-N 399.472 3.245 30 40 GGEB CC(=O)ON=C1CC(C)(C)N(OC(=O)c2ccc([N+](=O)[O-])cc2)C(C)(C)C1 1437245 SEFJHVPBQRWZAO-UHFFFAOYSA-N 377.397 3.239 30 40 GGEB Cc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCN(C)CC4)o3)o2)cc1 8844501 DYFFVTZTDZXTHV-UHFFFAOYSA-N 378.432 3.446 30 40 GGEB C#CCn1/c(=N/C(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(C)c(C)cc21 101074356 WHIWWXQJMHUGMX-MRCUWXFGSA-N 398.509 3.097 30 40 GGEB CC(C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 101302173 VVZYWGFNBGZDDS-FTFAEBDGSA-N 394.562 3.458 30 40 GGEB CC/N=C1\S[C@H](CC(=O)Nc2ccccc2Br)C(=O)N1CC 102420461 MQNDRSWZOKKFBT-UWENYHRYSA-N 384.299 3.118 30 40 GGEB CC(=O)[C@@H](Cc1ccccc1)NC(=O)CSc1nc(C)c(C)c(C)c1C#N 7060430 MDNZMESQIUKZCG-LJQANCHMSA-N 381.501 3.287 30 40 GGEB CCOc1cc(CNC(=O)[C@H](C#N)c2nc(C)cs2)ccc1OC(F)F 95453890 DFSKAYMNUVJXHA-LBPRGKRZSA-N 381.404 3.375 30 40 GGEB COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)cc1OC 49549911 VBDKKVHFNQMSFS-LJQANCHMSA-N 378.432 3.430 30 40 GGEB CCOC(=O)c1ccc(N2C=C3C(=O)c4ccccc4O[C@H]3SCC2=O)cc1 226758989 KPZTUTDICHWJBN-NRFANRHFSA-N 395.436 3.428 30 40 GGEB CSc1nc(NC(=O)C/C=N\OCc2ccc(Cl)c(Cl)c2)nn1C 12955769 BDWJXABKHMSEKP-FMQZQXMHSA-N 388.280 3.375 30 40 GGEB N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1 19819355 DGJRJCDPPXOSJR-GJZGRUSLSA-N 391.818 3.391 30 40 GGEB C#CCN(CC(=O)Nc1sccc1C(=O)OCC)[C@H]1CCc2ccccc21 32935652 HUCDVLLIWHQKRS-SFHVURJKSA-N 382.485 3.486 30 40 GGEB Cc1ccc(C)c(N2N=C(C(=O)OCCOc3ccc(C#N)cc3)CCC2=O)c1 11762033 OATOOQAMERQBDQ-UHFFFAOYSA-N 391.427 3.280 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccnc1 17885209 AOHIHRIWDXIRCH-IBGZPJMESA-N 396.443 3.013 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)c3cc(-c4ccccc4F)on3)CC2)cc1 40087357 GZZBCMVJZIHUNQ-UHFFFAOYSA-N 390.418 3.310 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OCC)cc1 224605190 JZIRIOKMMFFXCS-UHFFFAOYSA-N 375.446 3.253 30 40 GGEB CC(C)CNC(=O)c1csc(Nc2cccc([C@H]3CCCN(CC#N)C3)n2)n1 585295069 ZBDOLJRJUMSADB-HNNXBMFYSA-N 398.536 3.370 30 40 GGEB COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@@H]5[C@H]23)cc1 4087986 RWBIPIUHWVWIJW-VBUKXMRKSA-N 399.531 3.353 30 40 GGEB CCOC(=O)[C@@]1(C(N)=O)O[C@@]1(c1ccc(Cl)cc1)c1ccccc1Cl 4921103 CBGRCWIFFWBLAC-ZWKOTPCHSA-N 380.227 3.054 30 40 GGEB COC(=O)COc1c(Cl)cc(C=C2C(=O)c3ccccc3C2=O)cc1OC 6170063 XPNDCJVCSFDLSI-UHFFFAOYSA-N 386.787 3.363 30 40 GGEB C=CCNC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2284329 HCCAONYGWNRXAF-UHFFFAOYSA-N 375.407 3.270 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2cccc(Br)c2)C1=O 12780482 FSWCBCSATPRQQX-SFHVURJKSA-N 384.233 3.288 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(\O)[C@H](C)Oc2ccc(Cl)cc2)cc1OC 39981973 BDHMPKMEAWPVGU-NSHDSACASA-N 399.852 3.470 30 40 GGEB CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@]2(C#N)CCC[C@H](C)C2)cc1Cl 96013462 GFDCFXPEGJDFTF-QFYYESIMSA-N 387.864 3.188 30 40 GGEB CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1 17180451 JPLUQBMWEDSCDR-IBGZPJMESA-N 398.459 3.207 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 33383854 YPKUZIQZSIOKDP-WGGXDPCSSA-N 392.433 3.266 30 40 GGEB N#CCN1CCC[C@H](c2cccc(Nc3nc(C(=O)N4CCCC4)cs3)n2)C1 585294294 PHBCTRHPOGIKTE-HNNXBMFYSA-N 396.520 3.221 30 40 GGEB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@H](CC5)[C@H]4C3=O)o2)cc1 5015176 RTWHMHDTOXWSFN-HGGZNEJTSA-N 390.395 3.176 30 40 GGEB CCCN1C(=S)N[C@@H](c2cccc(C#N)c2)C(C(=O)Nc2cc(C)on2)=C1C 11202864 RCNDZOWFAAZCMQ-SFHVURJKSA-N 395.488 3.409 30 40 GGEB CCOc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)ncc(C#N)c2=O)cc1 49006162 SMMORRIDCZONGK-UHFFFAOYSA-N 388.427 3.128 30 40 GGEB CC(=O)N1CCN(c2ccc(/N=C/c3cc(C)cc([N+](=O)[O-])c3O)cc2)CC1 4663360 GUKWJSICYVSAEZ-FYJGNVAPSA-N 382.420 3.028 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)[C@@H]1c1ccccc1 5408688 CDSUBEHMDYQEET-WOOAAIBNSA-N 382.435 3.199 30 40 GGEB COC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 6073905 ZDMAWEWIQYWSQN-ZDLGFXPLSA-N 384.384 3.180 30 40 GGEB biogenic Cc1c(Cl)cnc(NC(=O)COC(=O)COc2ccccc2C#N)c1Cl 7015577 NDDVTGMEHBSKOG-UHFFFAOYSA-N 394.214 3.129 30 40 GGEB N#Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(Cl)c1 11158198 BCOHGDQBFUZTDR-UHFFFAOYSA-N 397.862 3.468 30 40 GGEB COc1cc(OC)c(/C=N\Nc2ccc([N+](=O)[O-])cn2)cc1Br 408750512 OEJGXQSTNUUMMU-IDUWFGFVSA-N 381.186 3.216 30 40 GGEB C=C(C)CNC(=S)N/N=C/c1ccccc1OCc1ccc(C(=O)OC)cc1 3321368 DSQFFBDNZQFNKM-YDZHTSKRSA-N 397.500 3.426 30 40 GGEB COc1ccc(C(=O)COC(=O)/C=C/c2ccc(OCC#N)c(OC)c2)cc1 4318986 USZDKOWISVMVEO-ONNFQVAWSA-N 381.384 3.045 30 40 GGEB C=CCOC(=O)c1sc(N[C@H]2OC(=O)c3ccccc32)c(C(=O)OC)c1C 4384836 NCPOBDYWMPHKPH-HNNXBMFYSA-N 387.413 3.467 30 40 GGEB COc1ccc(-n2c(SCC(=O)N(C)CCC#N)nc3ccccc32)cc1 4829938 IVEHEKVPWFTSOE-UHFFFAOYSA-N 380.473 3.498 30 40 GGEB C=CCn1c(S[C@@H]2CCCCNC2=O)nc2sc3c(c2c1=O)CCCC3 11121332 KYDHIBMDVUVMIX-CQSZACIVSA-N 389.546 3.284 30 40 GGEB COc1ccc(NC(=O)[C@H](C)O/N=C/c2ccc(-n3cncn3)cc2)cc1Cl 12777518 AXPFNCIOUGTGNU-YCYNJWQJSA-N 399.838 3.307 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(OCC)c(O)cc2Br)C1=O 16688150 UCHAIWQWCJAWPV-NTUHNPAUSA-N 382.235 3.223 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccnc1)c1ccc(Cl)cc1 19153183 ZRWJLIGGEFZZOE-WMZOPIPTSA-N 398.846 3.492 30 40 GGEB COc1ccc(-c2n[nH]c(/N=C(\O)COc3ccc(C#N)cc3)n2)c(OC)c1 58289879 FCNQXMZTOYDGOC-UHFFFAOYSA-N 379.376 3.028 30 40 GGEB Cc1nc2n(n1)/C(=N/c1ccc(Br)cc1)NC[C@@H]2Cc1ccncc1 66088537 WYDRAMUTMONFHU-AWEZNQCLSA-N 397.280 3.209 30 40 GGEB Cc1ccccc1/N=C1/S[C@@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C 100261302 VSBQJPRYHQRSAT-YGCDDZCOSA-N 398.444 3.493 30 40 GGEB COc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)ccc1O 409295176 DEMXVPZYUFLIGC-UHFFFAOYSA-N 388.221 3.064 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1cccnc1 5931278 IJWSIDZBHGDCNU-AWEZNQCLSA-N 382.489 3.478 30 40 GGEB C=CCn1c(SCC(=O)NC[C@H]2CCCO2)nnc1-c1ccc(Cl)cc1 6071817 SOSZJZQRTZCPKW-OAHLLOKOSA-N 392.912 3.172 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccnc2)no1 6275838 CVQMYJRAXCYVCX-KRWDZBQOSA-N 379.347 3.300 30 40 GGEB CCCN1C(=O)/C(=N\OCc2cc([N+](=O)[O-])cc3c2OCOC3)c2ccccc21 7736295 ZHHGEHZENHTRNM-UZYVYHOESA-N 397.387 3.139 30 40 GGEB C=CCN1C(=O)N[C@H](c2ccc(F)cc2F)C(C(=O)Nc2cc(C)on2)=C1C 10354341 ZMCZUNPRIGSNME-QGZVFWFLSA-N 388.374 3.426 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC[C@@H](C)N3CCOCC3)c(=O)c21 19125992 ZAXCIBCSFFNTDR-CQSZACIVSA-N 386.521 3.018 30 40 GGEB C=CCn1c(COc2ccc(Br)cc2)nnc1S[C@H](C)C(=O)O 27517364 YRMSAQOQZJUUMS-SNVBAGLBSA-N 398.282 3.371 30 40 GGEB Cc1ccc(Cc2cnc(NC(=O)CN(C)c3ccc(C#N)cn3)s2)cc1 96999371 QEZSRFPMXOGXKG-UHFFFAOYSA-N 377.473 3.384 30 40 GGEB O=S(=O)(Nc1ccc(Cl)nn1)c1ccc(/N=C/c2ccccc2O)cc1 100457139 PTPZVGGAWQLHDD-YBFXNURJSA-N 388.836 3.387 30 40 GGEB Cc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218419404 OJTOXKODBHAJFI-NUJGCVRESA-N 375.833 3.183 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@H]2c2ccc(O)cc2)no1 102532830 TZWMIZQSYWMOEB-GROYHEBESA-N 380.356 3.216 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccc2c(c1)OCO2 3234580 HUZGTKQZZZZIBH-QHHAFSJGSA-N 384.775 3.135 30 40 GGEB Cc1cc(O)c(CN2C[C@H](C)O[C@H](C)C2)c2c1C(=O)/C(=C/c1cccnc1)O2 94993336 JHOVDKNRNMUVIR-HXODVAPPSA-N 380.444 3.321 30 40 GGEB Fc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCOCC3)O2)cc1 3665377 PYJXZMHLOPKIID-UHFFFAOYSA-N 399.266 3.112 30 40 GGEB CC(C)c1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)cc1 13015772 SYJJUFGMLUZAQR-MRXNPFEDSA-N 399.516 3.180 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(\O)C2(c3cccc(C)c3)CC2)cc1OC 65764240 GULDTCHDRUSCEF-UHFFFAOYSA-N 375.446 3.389 30 40 GGEB C=CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cc(OC)ccc21 100874988 PDBZEIWPFJXGPS-QBEKEKFNSA-N 382.441 3.165 30 40 GGEB C=CCN1C(=O)[C@](NC(=O)c2cccs2)(C(F)(F)F)N=C1c1ccccc1 20648635 OAIICKIVXXVZBV-KRWDZBQOSA-N 393.390 3.212 30 40 GGEB CCCCN1C(=O)/C(=N\NC(=S)Nc2ccccc2[N+](=O)[O-])c2ccccc21 102980589 RBVZPSHCWUGFAT-FXBPSFAMSA-N 397.460 3.432 30 40 GGEB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 8915066 UJYLXXLXFUMFSA-RHSMWYFYSA-N 378.403 3.301 30 40 GGEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@@H]1C=Nc1ccccc1C(F)(F)F 408534111 LIFGNSLGUWPLRM-OHTBPHCPSA-N 393.365 3.291 30 40 GGEB N#Cc1ccc(NC(=O)CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1 4677071 ONMFBNRGNUICMD-UHFFFAOYSA-N 396.878 3.279 30 40 GGEB COC1(c2nc(-c3ccccn3)no2)CCN(Cc2cc(C#N)ccc2F)CC1 550891421 CIXKALQNVBPJDG-UHFFFAOYSA-N 393.422 3.280 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O 408900133 RRDBJHJESPYLRJ-LFIBNONCSA-N 382.803 3.441 30 40 GGEB N#Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)sc2c1CCC2 40082085 LXTOPANSJMZGQL-SNVBAGLBSA-N 387.411 3.378 30 40 GGEB C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2sccc2c1=O 20970048 ZXSOLOYHRXVROM-UHFFFAOYSA-N 397.481 3.032 30 40 GGEB Cn1ncc(Cl)c1C(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 832644 SKXBDIPJRINERL-UHFFFAOYSA-N 379.898 3.012 30 40 GGEB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C#N)C1 832647 CIKOSTXPDOEJJV-QMMMGPOBSA-N 393.925 3.258 30 40 GGEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)cc1 1450315 JDDQDKAMGZNOKR-QGZVFWFLSA-N 380.356 3.368 30 40 GGEB COC(=O)c1ccc(/C=N/O[C@@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 12761452 VDXZARBSKFKNOB-AEOXGOBCSA-N 392.419 3.096 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C=O)[C@]1(O)CC[C@H]2c1ccc(=O)oc1 118929686 XMFOZWPYGNDNKK-ULLHZWNJSA-N 398.499 3.341 30 40 GGEB C/C(=N\NC(=S)Nc1ccc(C)c(C)c1)c1ccc(S(C)(=O)=O)cc1 23096001 XJHLTUMGNUMGSO-XSFVSMFZSA-N 375.519 3.418 30 40 GGEB C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1 408988898 SBAANIUKXZRCFQ-RGEXLXHISA-N 376.412 3.480 30 40 GGEB Cc1noc([C@H]2CCN(C(=O)NC3CCC(Oc4ccccc4C#N)CC3)C2)n1 579742659 BAQYNBCHJSSAJS-AOCRQIFASA-N 395.463 3.139 30 40 GGEB CCC(NOC/C=C/Cl)=C1C(=O)CC(C[C@@H](C)[S@@](=O)CC)CC1=O 196068374 WALVSPYBSLAJMH-VTCHXJQDSA-N 375.918 3.020 30 40 GGEB in-vitro CCOc1cc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)cc(Br)c1O 5953401 WGTJMPSMPSRRFP-QGMBQPNBSA-N 376.210 3.474 30 40 GGEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(O)c([N+](=O)[O-])c1 19287945 AEFBQAZZYUSLKX-KRWDZBQOSA-N 386.404 3.222 30 40 GGEB COc1ccc(C2C3=C(CCCC3=O)N(CC(=O)O)C3=C2C(=O)CCC3)cc1 19890708 ZEKRPRCRYHOKQK-UHFFFAOYSA-N 381.428 3.193 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1 4717930 ZRPHZYINOYRYBN-BXTJHSDWSA-N 379.412 3.073 30 40 GGEB Oc1c(Br)cc(Br)cc1/C=N/Nc1n[nH]c(=S)[nH]1 102443905 XVKMTTHIYITUPJ-KGVSQERTSA-N 393.064 3.144 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccncc1 5931274 IXJBBGCBIDQHBK-AWEZNQCLSA-N 382.489 3.478 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccs2)c1 6197070 SXZHELOPSHBJNW-KRWDZBQOSA-N 387.457 3.372 30 40 GGEB Cc1cccc(-c2nnc(SCC(=O)N(CCC#N)Cc3ccco3)n2C)c1 12982452 NAVWHHVPBHEOII-UHFFFAOYSA-N 395.488 3.418 30 40 GGEB C=CCNC(=O)[C@@H](C)OC(=O)c1cc(-c2ccc(F)cc2)nc2onc(C)c12 28479561 QFTWYVBGGDEICI-GFCCVEGCSA-N 383.379 3.185 30 40 GGEB CCOC(=O)N1C[C@H](C)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 31871155 UHQXUOPXEWVVTK-ZOTSVIKBSA-N 379.373 3.158 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc([N+](=O)[O-])cc2)no1 102805280 LCARDSVCOURTCI-IBOXJLQUSA-N 395.327 3.111 30 40 GGEB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 105406974 RZUWRAFWFCFTQI-UHXVHNPKSA-N 391.383 3.386 30 40 GGEB COc1ccc(C=Nn2c(S)nnc2-c2ccc(C)cc2)c(OC)c1OC 252429346 FRWRCTOPUYTXCB-UHFFFAOYSA-N 384.461 3.450 30 40 GGEB Cc1cc2c(cc1Br)NC(=O)/C2=N\NC(=S)Nc1ccccc1 12446973 LDYCNHQVRIFYFB-UHFFFAOYSA-N 389.278 3.400 30 40 GGEB Cc1ccc(CN(CC(=O)Nc2c(C#N)cnn2-c2ccccc2)C2CC2)o1 58191475 SMCKFSJLTDBUAT-UHFFFAOYSA-N 375.432 3.249 30 40 GGEB OC(COC(C(F)(F)F)C(F)(F)F)COC(C(F)(F)F)C(F)(F)F 103537978 QIVGTEJCHXVILN-UHFFFAOYSA-N 392.136 3.367 30 40 GGEB C=CCNC(=O)NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3513721 HYLYBXGFILNWHY-UHFFFAOYSA-N 395.440 3.132 30 40 GGEB C=CCn1c(SCc2nc3ccsc3c(=O)[nH]2)nnc1-c1ccncc1 9058060 OHUDQUQOGDDSFU-UHFFFAOYSA-N 382.474 3.116 30 40 GGEB CCO[C@@](F)(C(F)(F)F)C(F)(F)O[C@@](F)(CC(F)(F)F)C1=NCCN1 97949680 GJAJOZGKSUZEQO-CBAPKCEASA-N 394.209 3.480 30 40 GGEB O/C(CCn1c(S)nnc1-c1cccs1)=N\c1nc(C(F)(F)F)n[nH]1 40071108 CICLQDLYQUNUFD-UHFFFAOYSA-N 389.388 3.111 30 40 GGEB Cc1nc(C(C)(C)C)sc1/C(O)=N/S(=O)(=O)Cc1ccccc1C#N 61067193 YCFJGDRXZCVQDN-UHFFFAOYSA-N 377.491 3.455 30 40 GGEB N#CCCN(CCC#N)C(=O)COC(=O)c1ccccc1Oc1ccccc1 21226797 HYUYSUXGIMIANX-UHFFFAOYSA-N 377.400 3.292 30 40 GGEB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CNCCc4ccc(F)cc4)[C@H]3[C@@H]3O[C@]132 100776298 DPJQDKPYAYDAMH-AARQKSKGSA-N 387.495 3.483 30 40 GGEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)no1 102896389 NMFNIZFYIGFTCB-SELCWUDQSA-N 393.399 3.268 30 40 GGEB C/C(=N\OCC(=O)O[C@H](C)C(=O)c1ccc(F)cc1)c1ccc2c(c1)OCO2 6948080 MTYNXFSENKFQRP-UMYHVIPVSA-N 387.363 3.110 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)N2CCC(c3ccccc3)=N2)cc1 7979141 MZKNANJXPNZYSL-JLHYYAGUSA-N 390.439 3.444 30 40 GGEB N#C[C@@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)NC12CCCCCC2 10342442 UIFYGCDERRPJPN-GOSISDBHSA-N 399.926 3.181 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1ccccc1N1CCCC1=O 10637614 SUZXDASEQOIANR-UHFFFAOYSA-N 379.416 3.101 30 40 GGEB C=CCN(C(=O)/C=C(\C)C12CC3CC(CC(C3)C1)C2)[C@H]1CCS(=O)(=O)C1 96298137 TUTVWVBOAXPIDJ-OEOJMULPSA-N 377.550 3.351 30 40 GGEB CC(C)Cn1nnnc1SCC(=O)Nc1ccccc1S[C@H](C)CC#N 95953379 JEXUTLAGDHKJHI-CYBMUJFWSA-N 390.538 3.454 30 40 GGEB COc1ccccc1C1C2=C(CCCC2=O)N(CC(=O)O)C2=C1C(=O)CCC2 19890666 PSJOIMPJXDTNEI-UHFFFAOYSA-N 381.428 3.193 30 40 GGEB N#Cc1cc(Br)cnc1N1CCC[C@@H](COc2nccs2)C1 2298192529 DSFNGASEIRBSHL-LLVKDONJSA-N 379.283 3.468 30 40 GGEB COc1ccc(/N=C2/S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)cc1 61958045 XTZWMAPAKWTAHT-UFIXSJTLSA-N 387.436 3.424 30 40 GGEB Cc1ccc(/N=C2/S[C@@H](CC(=O)Nc3ccc(C(=O)O)cc3)C(=O)N2C)cc1 2491207 ZLHYIDNNHJNSDX-JDAKFOBDSA-N 397.456 3.283 30 40 GGEB C[C@@H](OC(=O)COc1ccc(C#N)cc1)C(=O)Nc1ncc(Cl)cc1Cl 2653063 VBZPWSNQVJDDSN-SNVBAGLBSA-N 394.214 3.209 30 40 GGEB COc1ccc(/C=N/N=C2\NC(=O)/C(=C\c3ccccc3F)S2)cc1OC 4199418 ZPBGKWNOAOSWRE-NEUPYCBHSA-N 385.420 3.437 30 40 GGEB N#CCCn1c(SCC(=O)NC(=O)NCc2ccccc2)nc2ccccc21 5268100 FMQGYOVPZGKCGG-UHFFFAOYSA-N 393.472 3.068 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)COC(=O)/C=C/c1cc(Br)ccc1F 6431519 FGFWMVYHDYMFBU-PFWMLDTASA-N 397.244 3.199 30 40 GGEB C[C@@H](OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)N(CCC#N)c1ccccc1 11460416 IQPTXKIJTBTMIN-OAHLLOKOSA-N 389.411 3.020 30 40 GGEB CCc1c(C)sc2nc(Sc3ncccc3C#N)n(CCOC)c(=O)c12 12521927 HRVLMKWORYWTRV-UHFFFAOYSA-N 386.502 3.393 30 40 GGEB COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 13597678 WYEZDKBTZQMRAG-VVLHAWIVSA-N 396.491 3.297 30 40 GGEB CCOc1cc(/C=N\Nc2nc(C)cc(COC)c2C#N)ccc1OCC#N 31833875 JWJFBRBHALCGPM-FMCGGJTJSA-N 379.420 3.155 30 40 GGEB C#CCOc1ccc([C@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32095735 MKFJZAFABUJKCC-MRXNPFEDSA-N 389.415 3.115 30 40 GGEB C[C@@H](C#N)CSc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 65453197 LBNVFJUSJWYGNF-AWEZNQCLSA-N 392.484 3.366 30 40 GGEB CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C 70691622 FTBAMSZTFXXEOD-BLXOZWEWSA-N 398.499 3.180 30 40 GGEB biogenic O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccccc2)/C1=C(\O)c1ccccc1 102859851 USXDVGXLSJKKBV-YDJIHCHBSA-N 387.439 3.395 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccc(O)cc1 102925464 RGAIXBNWXJMLQG-GROYHEBESA-N 387.819 3.114 30 40 GGEB COC(=O)c1ccc(CSc2nc(N)c(C#N)c(Cc3cccc(F)c3)n2)o1 223678072 BTGLTGSDJLNJTM-UHFFFAOYSA-N 398.419 3.332 30 40 GGEB COc1ccc(/C=C\c2c(C(=O)O)nn(-c3cccc(C)c3)c(=O)c2C#N)cc1 409197165 XMNVZNPNNWSMPK-FLIBITNWSA-N 387.395 3.290 30 40 GGEB N#Cc1nc2c(-c3nc4ccccc4[nH]3)c(N)n(Cc3ccccc3)c2nc1C#N 943953 QXOPXKNEXYOZLI-UHFFFAOYSA-N 390.410 3.348 30 40 GGEB CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 101316705 VQMBELZOPUSLIR-RGEMVIMISA-N 380.535 3.067 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 5560435 VEZRZJLIINDEDY-UHFFFAOYSA-N 393.277 3.281 30 40 GGEB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(C)c1 4768203 NSEHJBQHNHTKNM-AWEZNQCLSA-N 378.461 3.270 30 40 GGEB CCNC(=O)COc1ccc(/C=C2/C(=O)c3c(O)ccc(F)c3[C@H]2C)cc1OC 96920042 OZCVCZKTXWCIFD-IGVUGNCQSA-N 399.418 3.438 30 40 GGEB COc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cccc4ccccc34)C2=O)cc1 408537516 VVSPYXBCOZLMQR-GOSISDBHSA-N 387.395 3.450 30 40 GGEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 408584682 SXPUHTZJIYYIPB-UHFFFAOYSA-N 394.880 3.130 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(Cc3ccccc3)C(=O)[C@@H]12 1108065 RSQVUAMDIQUPDX-FGEXJBCWSA-N 393.442 3.432 30 40 GGEB biogenic Cc1n[nH]c(=S)n1/N=C/c1cc(Br)cc(Br)c1O 5410214 GQEPTUZGAMNPEP-YIXHJXPBSA-N 392.076 3.362 30 40 GGEB Cc1ccc(C(=O)Nc2ccc(CC#N)cc2)cc1S(=O)(=O)N1CCCCC1 7872226 XNTGBZVHFQFREQ-UHFFFAOYSA-N 397.500 3.488 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccsc2c1=O 11269248 DMQKTILEQVIBRI-UHFFFAOYSA-N 387.486 3.383 30 40 GGEB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)Cc3ccccc3)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 100150083 NNLJICJPZZZIFI-IUYIPFNFSA-N 380.440 3.184 30 40 GGEB biogenic CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=N/Nc1nc2ccccc2s1 101379370 PZMULTUPPXYPDS-XDJHFCHBSA-N 380.389 3.395 30 40 GGEB N#CCOc1ccccc1/C=C1\SC(=Nc2cccc([N+](=O)[O-])c2)NC1=O 408823766 OTWYEOQAQMFKQU-YBEGLDIGSA-N 380.385 3.389 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2ccc3c(c2)OCO3)sc2c1CCCC2 3563429 CMSWJTZOSFJYPZ-UHFFFAOYSA-N 384.413 3.023 30 40 GGEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccccc2Cl)c2ccccc21 1889190 UPVKSAOHUJXKEA-ZCXUNETKSA-N 396.830 3.393 30 40 GGEB N#Cc1c(N)nc2c(c1-c1ccc3c(c1)OCO3)CN(Cc1ccccc1)CC2 20311214 YSOCCCWYTMQQQE-UHFFFAOYSA-N 384.439 3.489 30 40 GGEB CC[C@H](C)NC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12 2373957 AARFARKWXJXHBX-JHAVZTMOSA-N 376.420 3.170 30 40 GGEB C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(OCC)cc1 2487328 GBDJLUSVFWQVKV-GOSISDBHSA-N 386.473 3.465 30 40 GGEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)c(O)c1 2654431 XYQGKCSQKDDMGY-DEDYPNTBSA-N 375.494 3.168 30 40 GGEB Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1C#N 12914693 FIFXWCLVVCNAST-SPLOXXLWSA-N 377.448 3.053 30 40 GGEB COc1c2c(cc3c1[C@@H](C/C(=N/O)[C@@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 5727744 MBZNYRATEUMHTI-BYDDIGFZSA-N 390.480 3.378 30 40 GGEB biogenic N#CCCN(C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1F 4871571 QIVQMCMTPXXOLI-UHFFFAOYSA-N 398.394 3.131 30 40 GGEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(C(=O)O)cc1)n1ncnc1N2 18196303 GCHSJARTISGIFA-ACJLOTCBSA-N 392.440 3.454 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)c2cc3ccccc3o2)CC1 25580504 ITEYDEILUZKKBU-UHFFFAOYSA-N 376.372 3.175 30 40 GGEB COCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@H]1c1ccco1 21721958 IGPQYMOALVWGTB-JOCHJYFZSA-N 395.459 3.023 30 40 GGEB C=C(C)COc1ccc([C@H](CC(=O)OC)c2oc(COC)cc(=O)c2O)cc1 96113848 RDJIJMHRFSGEEF-KRWDZBQOSA-N 388.416 3.142 30 40 GGEB biogenic C=CCN1CCN(C(=O)C2CCC2)[C@H](Cc2cccc(-c3ccncc3)c2)C1=O 257334599 YGQAXNWYTDRZNO-JOCHJYFZSA-N 389.499 3.317 30 40 GGEB N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)c3ccncc3)C2)c1 5413563 HYIZCOAGCLIBTN-FXAWDEMLSA-N 396.450 3.041 30 40 GGEB biogenic,in-vitro Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(O)cc2)no1 13161725 HOEZMBJJEBSCAQ-KRWDZBQOSA-N 380.356 3.373 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)OCc3ccc(-n4cccn4)cc3)cc2C1=O 14678122 XASYNOLRYOIBLD-UHFFFAOYSA-N 387.395 3.011 30 40 GGEB N#Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)cc1 31661944 WPHIXNJAZRAOSX-IBGZPJMESA-N 384.867 3.407 30 40 GGEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 625816 MWBHGKYASIJVAS-CRAIPNDOSA-N 383.400 3.046 30 40 GGEB Cc1nnc(=O)[nH]c1N/N=C/c1cccc(OCc2c(F)cccc2Cl)c1 4422786 BUNJTPWSYCMIPT-ZVBGSRNCSA-N 387.802 3.291 30 40 GGEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O)c(OC)c3)S2)c(OC)c1 5551225 QGOSEDOXBHCAPC-MFOYZWKCSA-N 386.429 3.310 30 40 GGEB COc1ccc(C(=O)COC(=O)CCSc2nc(C)cc(C)c2C#N)cc1 13579575 KCLGLRBXQIUWND-UHFFFAOYSA-N 384.457 3.487 30 40 GGEB C=CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 16741768 VIHPUIMQHNUKIZ-HXUWFJFHSA-N 399.512 3.389 30 40 GGEB C(#CCN1CCN(Cc2ccccc2)CC1)COCCOCc1ccccc1 19367960 CYQXMEKKSRFYER-UHFFFAOYSA-N 378.516 3.041 30 40 GGEB CC(C)N(CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@H]3C[C@@H]21)C(C)C 20612395 MJHAVTISRMMQFD-PCSPUAFNSA-N 392.584 3.222 30 40 GGEB biogenic CCOC(=O)/C(=N/Nc1cc(Cl)ccc1Cl)NCCN(CC)CC 22869170 YGJGXJKVYGXEPW-UHFFFAOYSA-N 375.300 3.213 30 40 GGEB COc1ccc(C)cc1-n1ccc(/C(O)=N/S(=O)(=O)c2ccccc2C)n1 65484356 OKCZLCOXAYKLGK-UHFFFAOYSA-N 385.445 3.191 30 40 GGEB COc1cccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c1OC 85409085 PNIQDYOSEMKYLD-INIZCTEOSA-N 390.399 3.126 30 40 GGEB CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@]3(C)[C@H](C(=O)CO)CC[C@H]23)[C@@]2(C)CCC(=O)C=C12 254740664 XRXDCBIIKLNRSQ-CMQWWAJZSA-N 388.504 3.238 30 40 GGEB CCOC(=O)CNC(=O)CSc1nc(-c2ccc(Cl)cc2)ccc1C#N 12250949 BRKGINJCEATWFU-UHFFFAOYSA-N 389.864 3.045 30 40 GGEB COc1c2c(cc3c1[C@H](C(=O)Nc1c(C)cccc1C)[N+](C)(C)CC3)OCO2 2134539 LFEPSMCRVXXJBJ-LJQANCHMSA-O 383.468 3.353 30 40 GGEB biogenic CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccn1 4041541 HDWNFSIHDZGZRG-NHFXJNLRSA-N 393.487 3.235 30 40 GGEB COc1cc(/C=N/NC(N)=S)cc(Cl)c1OCCOc1ccc(C)cc1 13940015 VLNBKLMTNXYXHS-SRZZPIQSSA-N 393.896 3.282 30 40 GGEB CCC(=O)C1=C(c2ccc(OC)cc2)N(C(=O)CC)n2c(CC)nnc2S1 4518294 MFVLCIIBBBHYFX-UHFFFAOYSA-N 386.477 3.177 30 40 GGEB COc1cc(CNC2CCN(c3ccc(C#N)cn3)CC2)cc(Cl)c1OC 67011099 GIABEPBSIBYFOQ-UHFFFAOYSA-N 386.883 3.382 30 40 GGEB CCOc1ccc(/C=N/n2c(O)nc3c([nH]c4ccc(C)cc43)c2=O)cc1OC 17045919 RETQDFKDYORXTJ-SSDVNMTOSA-N 392.415 3.181 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Cl 408807053 JZJPUXCALHJOTB-LFIBNONCSA-N 394.814 3.327 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C2\CCSc3ccc(F)cc32)cc1[N+](=O)[O-] 38374581 XRGBPVQBYKOEEN-NBVRZTHBSA-N 395.437 3.221 30 40 GGEB C=CCNC(=O)c1cccc(-c2noc(-c3cc(C)nn3C3CCOCC3)n2)c1 528117216 LEXOVWIDIWUMAQ-UHFFFAOYSA-N 393.447 3.176 30 40 GGEB CCOC(=O)C1=C(Nc2ccccc2)S[C@@]2(CC(C)=C(C)C[S@]2=O)C1=O 5499649 ONZKHYYDQLOZOL-BCHFMIIMSA-N 391.514 3.374 30 40 GGEB COC(=O)c1sc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c(C#N)c1C 17079123 PEULLJRZJSLSSX-UHFFFAOYSA-N 387.486 3.458 30 40 GGEB COc1ccc(C(=O)C/C(=N/Nc2nc(C(=O)O)cs2)C(F)(F)F)cc1 4478102 PDLVKJPLWLSODF-NDENLUEZSA-N 387.339 3.453 30 40 GGEB C=CCn1c(C)cc(C(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1C 5190713 NDLVNQPVTUDAKS-UHFFFAOYSA-N 387.443 3.069 30 40 GGEB N#Cc1ccc(CN2CCN(CC(=O)N(C3=CCCCC3)C3CC3)CC2)cc1 22781860 GNEHIGRLAQJNSP-UHFFFAOYSA-N 378.520 3.125 30 40 GGEB O=[N+]([O-])c1ccc([C@@H]2C[C@@H](C(Cl)(Cl)Cl)OS(=O)(=O)O2)cc1 3154966 PJXNJUSJPRZPOY-IUCAKERBSA-N 376.601 3.056 30 40 GGEB C=CCS[C@]1(Br)NC(C)(C)C[C@@]2(C)OC(=O)[C@H](C(C)C)N12 19324880 MLMCNDZVLTUDMQ-NILFDRSVSA-N 377.348 3.283 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409132715 QYYUSWFCWYEKLA-LDADJPATSA-N 393.443 3.268 30 40 GGEB C/C(=N\OCc1nc2c3cnn(Cc4ccccc4)c3ncn2n1)c1ccccc1 5111977 SSJJMRZHOZDWEU-JVWAILMASA-N 397.442 3.463 30 40 GGEB COc1cccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)c1 5576832 NXYVRHWTYLNGSZ-NHFXJNLRSA-N 394.471 3.069 30 40 GGEB C=CCN(CC(=O)Nc1cccc(S(C)(=O)=O)c1)Cc1ccc(Cl)s1 7592144 OLHZWXCUYPZZBZ-UHFFFAOYSA-N 398.937 3.432 30 40 GGEB CC(C)(C)n1cc(C(=O)OCCC#Cc2ccc(CN3CCOCC3)cc2)cn1 84325816 IVQCKVUSCBIMDX-UHFFFAOYSA-N 395.503 3.069 30 40 GGEB CCCCNS(=O)(=O)c1ccc2[nH]c(Sc3ncccc3C#N)nc2c1 7985936 OYIIXZKIANJVOQ-UHFFFAOYSA-N 387.490 3.059 30 40 GGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 409356678 HAKACGYOHOMTTI-UHFFFAOYSA-N 376.328 3.153 30 40 GGEB C#CCCCC(=O)N1CCC[C@H](N(C)c2ccnc(-c3ccc(OC)cc3)n2)C1 1615058161 LJOKVNPTYUUFSS-IBGZPJMESA-N 392.503 3.383 30 40 GGEB C#CCOc1cccc(CN2CCC(NC(C)=O)(c3ccccc3F)CC2)c1 12293011 VIHZVHSJYVBWCY-UHFFFAOYSA-N 380.463 3.465 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4cc(C#N)ccn4)C3)ccc2n1 2087043800 BZHBROLZPCJCHG-INIZCTEOSA-N 376.464 3.199 30 40 GGEB CC1(C)[C@@]2(C(=O)Nc3cc(F)ccc3F)CC[C@@]1(C)c1nc(C#N)c(C#N)nc12 100198433 IXNINCSFCLVGNR-SFTDATJTSA-N 393.397 3.466 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Nc1[nH]n(-c3ccccc3)c(=O)c1[C@H]2c1ncc[nH]1 12348729 AUUKQDPTMSTKNL-INIZCTEOSA-N 375.432 3.089 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 12551660 FPAADGOUIQEZPY-KUHUBIRLSA-N 378.407 3.104 30 40 GGEB CC[C@@H](C)[C@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 24978476 QGCXKASVYAMEHJ-AUUYWEPGSA-N 376.412 3.312 30 40 GGEB CS(=O)(=O)/N=C(\O)c1ccc(COc2ccccc2Br)cc1 48486888 FISLNWUISSFSKS-UHFFFAOYSA-N 384.251 3.292 30 40 GGEB CN(CCc1ccccn1)C[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 3999795 JMHALWDHIFYNGT-XPRTXTSQSA-N 384.520 3.083 30 40 GGEB biogenic Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N(C)c1ccccc1 7672266 KDIYYXSUHPICSG-OAHLLOKOSA-N 377.400 3.459 30 40 GGEB C[C@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)c3ccccc3)s2)C[C@H](C)O1 68677158 AFRGOOVDPLUBJM-VFDMCBIDSA-N 391.514 3.442 30 40 GGEB CC(C)(C)c1cc(NS(=O)(=O)c2cncc(C#N)c2)n(-c2ccc(F)cc2)n1 567053484 CDOOXZHQYKRYON-UHFFFAOYSA-N 399.451 3.376 30 40 GGEB C=CCn1c(SCC(=O)N2CCC(C)CC2)nc2c([nH]c3ccccc32)c1=O 5106749 KAVCZIDRLUCEPQ-UHFFFAOYSA-N 396.516 3.414 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccs1 17146908 FHINPVQZANUUDY-KRWDZBQOSA-N 387.457 3.290 30 40 GGEB COc1cccc(/N=C2\S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)c1 849245 BSPKIIPGXPCTJH-UNEBPCJRSA-N 399.472 3.294 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC(C)(C)CC)c1ccc(F)cc1 4965227 NRDZIIUNIQMQPV-INIZCTEOSA-N 390.484 3.352 30 40 GGEB Cc1cc(C(=O)C[n+]2ccc(N(C)C)cc2)c(C)n1-c1ccc2c(c1)OCO2 3381325 MCBNPXKKVNGMSD-UHFFFAOYSA-N 378.452 3.059 30 40 GGEB C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CC=C)CC[C@@H](C)C3 3610324 TXFXLOIXQTVHBJ-GFCCVEGCSA-N 389.546 3.163 30 40 GGEB NC(=S)N/N=C/c1ccc(OCCOc2ccc(Br)cc2)cc1 4511798 JNDISIQBKPFPAP-YBFXNURJSA-N 394.294 3.074 30 40 GGEB C=CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1OCC(=O)N1CCCC1 8162586 SRRWGBONCZPHBP-QFIPXVFZSA-N 391.471 3.440 30 40 GGEB COc1cccc(/C=N/c2ccc(N3CCOCC3)cc2)c1O[C@H](C)C(=O)O 409238936 XGFDPNFABXFAEZ-QQHUYRGFSA-N 384.432 3.134 30 40 GGEB COC1(c2nc(-c3cn(Cc4ccc(C#N)cc4F)nn3)cs2)CCOCC1 606446006 NVQTVNVAVJMBBR-UHFFFAOYSA-N 399.451 3.113 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cc(OC)ccc2OC)cc1 16083334 NGTPOZQGIUOWMJ-UHFFFAOYSA-N 377.462 3.089 30 40 GGEB Cc1ccc(C#N)c(N2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)n1 1889151906 CNADRLCGKDKJLO-UHFFFAOYSA-N 377.423 3.027 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3cccs3)s2)cc1 585147850 CHYLAXYRJGPIKO-AWEZNQCLSA-N 390.511 3.360 30 40 GGEB COc1ccc(C)cc1CN1CCN(CCC(=O)Nc2ccccc2C#N)CC1 40025018 OMIPULYIBFMHKZ-UHFFFAOYSA-N 392.503 3.022 30 40 GGEB CCN1C[C@H](CN(C)CC(=O)Nc2ccc(C#N)c(Cl)c2)Oc2ccccc21 24979934 ZWUJKPFDJAFHTK-KRWDZBQOSA-N 398.894 3.369 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 101314511 BAWAZAVFBKTFGI-LWPKIGSASA-N 393.317 3.005 30 40 GGEB CSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(N(C)C)cc1)C1=C(CCCC1=O)N2 5931591 XGOMQKYHOWLTLN-OAHLLOKOSA-N 382.489 3.122 30 40 GGEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2C)c(OC)c1 8657878 ODBIMHXYBOBFRN-GRWXYWTESA-N 383.473 3.478 30 40 GGEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cccc(OCC(=O)O)c2)S1 408856119 AXVZFXLGDMJDEY-YVLHZVERSA-N 398.440 3.359 30 40 GGEB N#Cc1cccc(CN2CCC(N=c3[nH]c4ccccc4n4cncc34)CC2)c1 599097488 JJMZLTHAIYYECN-UHFFFAOYSA-N 382.471 3.253 30 40 GGEB N#Cc1c(NC(=O)CCCS(=O)(=O)c2ccc(F)cc2)sc2c1CCC2 10218920 FUVFROZFOFVGJH-UHFFFAOYSA-N 392.477 3.440 30 40 GGEB COc1ccc(CN2C(=O)[C@@H](C)S/C2=N/N=C/c2cccc([N+](=O)[O-])c2)cc1 5069903 NLGUWFXQBPUYAE-LHPMDEHHSA-N 398.444 3.457 30 40 GGEB N#Cc1nc(C2CC2)oc1N1CCN(C(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 40154093 DVFVINARUBJISS-KGLIPLIRSA-N 396.413 3.441 30 40 GGEB COc1ccc([C@@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c(OC)c1OC 20761143 CKQRSOQZJNBHCN-AWEZNQCLSA-N 394.379 3.076 30 40 GGEB biogenic N#CC1(c2ccccc2)CCN([C@H]2CC(=O)N(c3ccccc3F)C2=O)CC1 101527272 SBGYQVWRWHRDTG-IBGZPJMESA-N 377.419 3.015 30 40 GGEB CCN(CC)C(=O)c1sc(NC(=O)c2ccc3c(c2)OCO3)c(C#N)c1C 871522 ROOPOARKYMIXDE-UHFFFAOYSA-N 385.445 3.391 30 40 GGEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCCC)n3C)cc1 4944591 JPRNFPXILLZZIY-HNNXBMFYSA-N 385.489 3.321 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)c(Cl)c1 4986766 ZEPMZIVJWHYAGI-SVIKCVJRSA-N 382.243 3.249 30 40 GGEB CCOc1cc(C#N)ccc1OCC(=O)Nc1cccc(Cn2ccnc2)c1 25175648 KSZYOGAJFKCQDN-UHFFFAOYSA-N 376.416 3.219 30 40 GGEB CCCCCCCCc1ccc(OCCOC(=O)/C=C/C(=O)NC(N)=O)cc1 104334986 TUGYRFMEEKFEII-BUHFOSPRSA-N 390.480 3.263 30 40 GGEB C=CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 12662892 QJVPNSHEBXUWLZ-JAIQZWGSSA-N 396.395 3.428 30 40 GGEB biogenic O=C1[C@@H](/C(O)=N/O[C@@H]2CCCCO2)CCN1c1cccc(Br)c1 58419250 JSEYYBGFGWITSL-ZIAGYGMSSA-N 383.242 3.217 30 40 GGEB COc1cc(OC)c(OC)cc1/C=N\N1CCN(Cc2ccc(C)cc2C)CC1 28351293 QHRYBCOECPZUEY-IWIPYMOSSA-N 397.519 3.481 30 40 GGEB CCNC(=O)[C@@H]1CC(=O)N(CC)/C(=N/c2cc(Cl)c(O)c(Cl)c2)S1 18117313 QUHDUMZLWDMDLC-HSHIVQNRSA-N 390.292 3.177 30 40 GGEB N#Cc1cccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1 9856069 BRFYIAVTHWWZDH-UHFFFAOYSA-N 378.457 3.306 30 40 GGEB CCCN(CC#N)CC(=O)NC(c1ccc(OC)cc1)c1ccc(OC)cc1 48342255 QWPOEFXHRXNOFK-UHFFFAOYSA-N 381.476 3.145 30 40 GGEB N#Cc1c(F)cccc1N1CCN(C(=O)COCc2ccccc2Cl)CC1 48301032 TWZWIXJACZZXGV-UHFFFAOYSA-N 387.842 3.216 30 40 GGEB Cn1c([N+](=O)[O-])cnc1/C=C1\CCc2cc(OCCN3CCCC3)ccc2C1=O 1562701 OYUDSPXGVQGDNZ-DTQAZKPQSA-N 396.447 3.015 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(OCc2ccccc2C#N)c([N+](=O)[O-])c1 6433080 FXUGQSSVVOOXIN-UHFFFAOYSA-N 389.433 3.076 30 40 GGEB CO[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 245053531 OYMPZFLPGZQTOI-SFHVURJKSA-N 397.818 3.400 30 40 GGEB N#Cc1ccc(CCC(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)cc1 32376115 ZZOUNJSUCCIZEK-OAQYLSRUSA-N 397.906 3.334 30 40 GGEB C[C@@H]1CCCN(S(=O)(=O)c2cccc(C(=O)Nc3sccc3C#N)c2)C1 3405275 DQZORQMRMRXKHE-CYBMUJFWSA-N 389.502 3.293 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)OCC)c(OC)c2)SC1=S 4543777 GXPSXHLZZJEHBG-XNTDXEJSSA-N 393.486 3.024 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)cc1 6640062 YHTZUQCBUIARIL-GOSISDBHSA-N 380.448 3.089 30 40 GGEB Oc1ccc(/C=N/Nc2nnc3c(n2)[nH]c2ccc(Br)cc23)c(O)c1 6861875 NJSHFRJHVFUGMI-CNHKJKLMSA-N 399.208 3.126 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cn2)nnc1-c1ccncc1 6905085 LYZCFXFWNNLFFJ-UHFFFAOYSA-N 386.868 3.305 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2cccs2)cc1 17112284 HVSOPCYPHRJMLA-MRXNPFEDSA-N 393.424 3.330 30 40 GGEB Cc1ccsc1C(=O)NCCCc1nn(-c2ccc(F)cc2)c(N)c1C#N 25168060 FUNFTQYJSLTMEY-UHFFFAOYSA-N 383.452 3.198 30 40 GGEB CSc1nc(C)nc(N/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)n1 100038615 XCZVALBXVNFVAX-SOFGYWHQSA-N 388.396 3.274 30 40 GGEB CCOC(=O)c1sc(NC(=S)NC(=O)c2cccc(F)c2)c(C#N)c1C 408621461 MKEOYYOMNOIXFI-UHFFFAOYSA-N 391.449 3.371 30 40 GGEB N#CCCN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1 7980564 RNGCHACPXVATCA-UHFFFAOYSA-N 379.391 3.340 30 40 GGEB COc1cc(/C=N/N2C(=O)c3ccccc3C2=O)ccc1OC(=O)c1ccco1 3574432 ICXGJQJIAGFWMF-WSDLNYQXSA-N 390.351 3.138 30 40 GGEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccccc2C)cc1OC 13552762 SHWXEYMIRHURLT-GRWXYWTESA-N 383.473 3.478 30 40 GGEB CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 6638195 TXJBBDSTEPUFRW-AWEZNQCLSA-N 382.489 3.178 30 40 GGEB N#CCCN(C(=O)COC(=O)c1cc(Cl)nc(Cl)c1)c1ccccc1 9476825 XVPDMAROEDHDPY-UHFFFAOYSA-N 378.215 3.492 30 40 GGEB Cc1ccc2nc(C)c(CN3CCN(C(=O)/C=C/c4ccc(C#N)cc4)CC3)n2c1 7738267 YPUUJDWRTFVXHA-CSKARUKUSA-N 399.498 3.180 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccncc1 17246007 MVMYRKXEWKMYDT-IBGZPJMESA-N 396.443 3.094 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC(COc2ccncc2Cl)CC1 1889211670 FGECFOZUJGEKFE-UHFFFAOYSA-N 391.880 3.086 30 40 GGEB COc1ccc([C@@H](C#N)N2CCN([C@H](C#N)c3ccc(OC)cc3)CC2)cc1 19866117 LAWXUGNCFXSFTO-FGZHOGPDSA-N 376.460 3.151 30 40 GGEB Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@H]3c1ccc([N+](=O)[O-])cc1 20170612 CYSBGFCMIBSCFM-NSHDSACASA-N 379.401 3.441 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3c(Cl)cnn3C)c2C#N)C1 832648 CIKOSTXPDOEJJV-MRVPVSSYSA-N 393.925 3.258 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N(CC(F)F)c1ccccc1F 79071883 HCJHCLDNACJKOL-UHFFFAOYSA-N 377.366 3.233 30 40 GGEB O=C(/C=C/c1ccc(F)c(F)c1)c1ccc(OCC(=O)N2CCOCC2)cc1 7700908 AYQFRJLFYREVFM-KRXBUXKQSA-N 387.382 3.099 30 40 GGEB COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102698642 WYEZDKBTZQMRAG-QAETUUGQSA-N 396.491 3.297 30 40 GGEB N#Cc1ccc(CN2CCCN(CC(=O)Nc3cccc(Cl)c3)CC2)cc1 39935248 NIBJTUISMPZPDB-UHFFFAOYSA-N 382.895 3.358 30 40 GGEB COc1ccc2[nH]cc(CC(=O)NCc3nc(-c4cccc(C#N)c4)c[nH]3)c2c1 89467055 SLKDKBHUPVHIHS-UHFFFAOYSA-N 385.427 3.297 30 40 GGEB CCCC[C@@H](C#N)NC(=O)Oc1cccc(NC(=O)C2(CC)COCOC2)c1 255187685 GCVGHKHAGKXFRX-INIZCTEOSA-N 389.452 3.197 30 40 GGEB Oc1ccc(Cl)cc1/C=N\n1cnnc1N/N=C/c1cc(Cl)ccc1O 16384783 MUOGICNIUPCTQP-XQYLSFQXSA-N 391.218 3.324 30 40 GGEB CCc1ccc(C(=O)COC(=O)CO/N=C(\C)c2ccc3c(c2)OCO3)cc1 7441893 ZOKDRELTHVFTQZ-HYARGMPZSA-N 383.400 3.144 30 40 GGEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCOCC4)o3)o2)cc1 8844526 JLFMNDCUMUQSFY-UHFFFAOYSA-N 381.388 3.230 30 40 GGEB C#CCOc1ccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)cc1 32095737 MKFJZAFABUJKCC-INIZCTEOSA-N 389.415 3.115 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N[C@H]2c2ccc(O)c(OCC)c2)cc1 6196223 QHDJPVDJBJMTKS-SFHVURJKSA-N 383.400 3.056 30 40 GGEB CC(C)C/N=C1/NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1 7883468 ZLHARVOKLDVNMX-GFCCVEGCSA-N 384.299 3.021 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C2/C=CC(=O)c3ccccc32)cc1 102971327 UYNHCFVQTNYLGP-QOCHGBHMSA-N 383.473 3.286 30 40 GGEB N#CCCN(C(=O)COC(=O)c1cc2ccccc2oc1=O)c1ccccc1F 2636620 RZEVJAHRSDVTQA-UHFFFAOYSA-N 394.358 3.036 30 40 GGEB Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCCC3)n2)c(O)c1 4179384 HTWMHQBTXYNMRT-FYJGNVAPSA-N 391.435 3.073 30 40 GGEB CCc1ccc(/C=N/Nc2nnc(N/N=C/c3ccc(CC)cc3)n2N)cc1 4690238 YTSWUBKNNUXEJH-MSKUYSOUSA-N 376.468 3.009 30 40 GGEB CC1=C(C(=O)c2ccccc2)[C@H](c2ccc(N3CCOCC3)cc2)NC(=O)N1 5694520 JGEBSSTWEFAKAN-FQEVSTJZSA-N 377.444 3.034 30 40 GGEB CCCOc1cccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)c1 6783487 RRXPJJMITNHQPJ-LFVOPCPISA-N 398.459 3.052 30 40 GGEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccc(O)c(O)c1)n1ncnc1N2 18197601 ODYPFVJSPDUUCM-ADLMAVQZSA-N 380.429 3.167 30 40 GGEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(C)=O)C1 19016926 KSGSQSRVGNYOSC-QHCPKHFHSA-N 377.488 3.222 30 40 GGEB CCCCN1C(=O)[C@@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 4554902 BLLYBLJKKVYXEA-YIEPXFBBSA-N 393.439 3.422 30 40 GGEB Cc1ccccc1-n1c(N)c(C#N)c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc21 9144770 VNJVZHBIBIZUDU-UHFFFAOYSA-N 389.331 3.152 30 40 GGEB COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@@H]1c1ccc(OC)c(OC)c1 9306738 NIOFRIZNSWMKCV-OAHLLOKOSA-N 385.445 3.224 30 40 GGEB CCOCCCNC(=S)NCCNc1nc2c(C)c(C)ccc2cc1C#N 20151245 RRIVGDJRHHMMKV-UHFFFAOYSA-N 385.537 3.026 30 40 GGEB N#Cc1ccc(CN(CN2C(=O)NC3(CCCCC3)C2=O)CC(F)(F)F)cc1 40118698 GDIHKHDWAIYYIK-UHFFFAOYSA-N 394.397 3.135 30 40 GGEB CC(=O)N(C)C1CCN(C(=O)/C=C/c2cn(CCC#N)c3ccccc23)CC1 89930332 QEYAYMFMSIXGJQ-CMDGGOBGSA-N 378.476 3.037 30 40 GGEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N[C@@H]1CCCc2ccccc21 97572092 NEOWAZNDLOWZDJ-IWEBCOIVSA-N 386.517 3.212 30 40 GGEB C=CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 101231755 CXJFYUOWGJDXTM-LFVOPCPISA-N 379.412 3.312 30 40 GGEB Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(N(C)C)o1 409306589 QZWZRSJWABAKPW-UHFFFAOYSA-N 375.226 3.009 30 40 GGEB CCOc1ccccc1N1CCN([C@H](C)C(=O)Nc2ccc(C#N)cc2)CC1 57547470 JWNKWZKMJLHBTF-QGZVFWFLSA-N 378.476 3.106 30 40 GGEB C[C@@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)c1ccc(Cl)cc1F 58031772 YXVUBSJBWPKMSQ-PWSUYJOCSA-N 379.837 3.099 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCOC)cc1 5045081 RHBYILWZHNBDSW-HXUWFJFHSA-N 393.439 3.476 30 40 GGEB CCCCNC(=O)NS(=O)(=O)c1ccc(/N=C/c2ccccc2OC)cc1 4502116 YAQZBUMQZDLVDS-KGENOOAVSA-N 389.477 3.234 30 40 GGEB CCCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCN(C)C)cc1 6783460 MNTDMGMXSVSSFN-LFVOPCPISA-N 398.459 3.052 30 40 GGEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)c1 5799815 KDHUKQMDHZGILD-YDJIHCHBSA-N 394.471 3.069 30 40 GGEB O=S1(=O)N=C(NCC/C(O)=N/c2ccc(Cl)cc2F)c2ccccc21 8073545 SECHPWSBCYOOCR-UHFFFAOYSA-N 381.816 3.196 30 40 GGEB CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2)cc1 16737216 HUZKUWIDLOJSHY-FQEVSTJZSA-N 395.455 3.436 30 40 GGEB O=C1C[C@H](c2cccs2)CC2=C1[C@@H](c1ccccc1C(=O)O)n1ncnc1N2 18196363 XGTBKDMGDFDMNO-ADLMAVQZSA-N 392.440 3.454 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1 32639506 BKSYMCVWZRHLAG-QJGXAYKQSA-N 386.926 3.132 30 40 GGEB N#Cc1cccc(C(=O)N2CC[C@@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 575414908 POSQXLBKAOLPPY-SFHVURJKSA-N 388.876 3.214 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)cc1 102861626 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C=CCNC(=O)CSc1nnc(-c2cccs2)n1-c1cccc(OC)c1 35290843 QMCGMTHLRQDRLJ-UHFFFAOYSA-N 386.502 3.399 30 40 GGEB COC(=O)[C@@H](Sc1[nH]c(=N)c(C#N)cc1C#N)c1ccccc1C(F)(F)F 543960577 IEAVYIQJEXNGOT-ZDUSSCGKSA-N 392.362 3.263 30 40 GGEB COc1ccc([C@H]2CCc3cc4c(cc3/C2=N/OC(C)=O)OCO4)cc1OC 16982595 ZLNILMHQBVKPMC-UCMDFWOYSA-N 383.400 3.430 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@@H]3CCN(c4cc(C#N)ccn4)C3)ccc2n1 2087043801 BZHBROLZPCJCHG-MRXNPFEDSA-N 376.464 3.199 30 40 GGEB CCCCCn1c(SC/C(O)=N/c2ncn[nH]2)nc2ccsc2c1=O 33175266 SOCZBKRXZDRIFE-UHFFFAOYSA-N 378.483 3.147 30 40 GGEB Cc1ccc(/N=C2\SCCCN2C(=O)[C@H]2CCS(=O)(=O)C2)cc1Cl 32768185 SCUDOMFTJYJCDL-UFZXGQNFSA-N 386.926 3.036 30 40 GGEB CN(CCCOc1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1C#N 32903143 KVWZJUOATNYANP-UHFFFAOYSA-N 378.881 3.442 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccncc2)cc1 102888523 VULFMRKAWZWHHI-SELCWUDQSA-N 375.384 3.313 30 40 GGEB CCn1ncc([C@H](C#N)c2nc3ccccc3s2)c(Br)c1=O 3268581 OWXDMZAQRKFNAW-VIFPVBQESA-N 375.251 3.291 30 40 GGEB N#Cc1ccc(S(=O)(=O)/N=C(\O)c2ccnc(Cl)c2)cc1C(F)(F)F 54426521 LHXVEZUHMGWRHV-UHFFFAOYSA-N 389.742 3.319 30 40 GGEB C[C@H](NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)c1ccc(F)cc1 23714316 SAVMREVCGWYTMV-PGQWVYTBSA-N 378.469 3.035 30 40 GGEB COc1ccccc1C/N=C1\NC(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S1 13041635 RJUWHQAVWUBQFF-SFHVURJKSA-N 397.500 3.428 30 40 GGEB Cc1cc(C2=NN(C)/C(=N/Cc3ccccc3)SC2)c(C)n1-c1ncn[nH]1 15406226 MYBSBTJBXSLMIQ-VXPUYCOJSA-N 379.493 3.151 30 40 GGEB CCOc1ccc(Br)cc1C=Nn1c(O)nc2ccccc2c1=O 409361993 RJDWOLHILDDOLO-UHFFFAOYSA-N 388.221 3.146 30 40 GGEB CCOc1cc2c(cc1CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1)O[C@@H](C)C2 8272259 XJAZNYQZPLPNQP-LSDHHAIUSA-N 380.444 3.364 30 40 GGEB O=[N+]([O-])c1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1N1CCOCC1 409085439 CZAWHARRQYQIOL-LSHDLFTRSA-N 395.341 3.291 30 40 GGEB CCOc1cc([C@H]2NC[C@@H](C(=O)O)S2)ccc1OCc1ccccc1C#N 408979846 SSICHYXSXAGNKD-OALUTQOASA-N 384.457 3.324 30 40 GGEB N#Cc1cc(F)ccc1CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 103142013 NDUMKQGMRSGSIT-UHFFFAOYSA-N 375.806 3.448 30 40 GGEB C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CC[C@@H](C)C3 985946 OGIZGPKPJLQQCV-LLVKDONJSA-N 378.519 3.424 30 40 GGEB C#CCOc1ccc(Br)cc1C[C@@H]1SC(=S)N(CC)C1=O 6952510 BMRPANQUZHOOSI-ZDUSSCGKSA-N 384.320 3.252 30 40 GGEB O=C1Nc2ccc(Br)cc2/C1=N\N1C(=O)C(O)=C[C@H]1c1ccccc1 1663138 ZXOOGYBGEAWFJT-AWEZNQCLSA-N 398.216 3.131 30 40 GGEB CC[C@](C)(C#N)NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1 58169331 VMDDBWVEAVYEIV-HXUWFJFHSA-N 392.488 3.377 30 40 GGEB N#CCCN(CC1CC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-] 79023779 BUDQRSIOIAQCFE-UHFFFAOYSA-N 377.344 3.018 30 40 GGEB C=CCOC(=O)[C@H](CCCN)NC(=O)OCC1c2ccccc2-c2ccccc21 98181614 CBZOOUVGKPDRHF-NRFANRHFSA-N 394.471 3.362 30 40 GGEB C/C(=N\[C@H]1C(=O)N(c2ccccc2)N(C)[C@@H]1C)c1cc2ccccc2oc1=O 4262741 DVJAATZFODMYRL-RKRZWIQWSA-N 375.428 3.253 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccnc1 20191210 OLDHXSYENNHXFL-LJQANCHMSA-N 397.450 3.141 30 40 GGEB N#Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cc1 33400357 SNXDWQKCSRRJNZ-SFQUDFHCSA-N 377.425 3.025 30 40 GGEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCC1 687795 RXYAGDHJXVJKDL-UHFFFAOYSA-N 386.521 3.214 30 40 GGEB C[C@@H]1C[C@@H](C)CN(C(=O)CO/N=C/C(=O)Nc2cccc(C(F)(F)F)c2)C1 3284929 RHFYGWZRNHQSAS-ZMUSJTIXSA-N 385.386 3.151 30 40 GGEB C/N=C1\S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)N1C 4695964 BNCVVNZVBZPQDH-OUYOUGTCSA-N 382.441 3.496 30 40 GGEB C=CCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21 5307863 AWKMZYPIZNFTQX-LJQANCHMSA-N 386.791 3.241 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)cc1C 22357927 SENBQKVTFJFWHM-FQEVSTJZSA-N 387.480 3.014 30 40 GGEB CCOc1ccc([C@@H](CNc2ccccc2C#N)N2CCOCC2)cc1OC 32829304 PKOKOZQPVFMHTH-HXUWFJFHSA-N 381.476 3.451 30 40 GGEB N#Cc1cccc(OCC(=O)Nc2ccc(I)cc2)c1 39579037 MSVUHCYMTVGXJM-UHFFFAOYSA-N 378.169 3.180 30 40 GGEB N#C[C@@H](Cc1ccccc1)NC(=O)c1cccc(I)c1 89829941 LKTQWFCHNPEVRH-OAHLLOKOSA-N 376.197 3.156 30 40 GGEB CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)c2ccccc2OC2CCCC2)C1 95939177 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3.415 30 40 GGEB COC(=O)c1cc(C(O)(C(F)(F)F)C(F)(F)F)c(/N=C/N(C)C)s1 12559754 ZOOALAPCAQEXPE-PTXOJBNSSA-N 378.294 3.068 30 40 GGEB Cc1ccccc1/N=C1/S[C@H](CC(=O)Nc2ccccc2[N+](=O)[O-])C(=O)N1C 100261297 VSBQJPRYHQRSAT-QQMHEVNUSA-N 398.444 3.493 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(CC)cc1 2664014 CWKAKVUYWYQLAQ-UHFFFAOYSA-N 379.485 3.342 30 40 GGEB O=C(O)c1ccc(/C=N/N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 6640426 GRSBHACVPJOJJC-UFFVCSGVSA-N 389.323 3.076 30 40 GGEB C[C@H](Oc1ccc(Br)cc1C=O)C(=O)NC1(C#N)CCCCC1 7782706 QHROTWBEXJMYCS-LBPRGKRZSA-N 379.254 3.372 30 40 GGEB N#C[C@]1(C(=O)O)[C@@H](c2ccc(F)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242522419 ISBNIDBREBKGJB-UXLLHSPISA-N 379.796 3.013 30 40 GGEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2nccn2C)n1 585292755 AGRGTYNASCKZNK-LJQANCHMSA-N 388.479 3.256 30 40 GGEB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(N)c(C#N)c(C2CC2)c1C#N 13577383 JAURLEXRHHFHCA-GFCCVEGCSA-N 389.484 3.354 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)C1=O 1065459 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18197632 IZKIHKBXYDNUHE-HXPMCKFVSA-N 394.456 3.470 30 40 GGEB COc1ccc(Cl)cc1/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58153272 NFICDEXCKOJZFY-UHFFFAOYSA-N 375.233 3.232 30 40 GGEB C=CCNS(=O)(=O)Cc1ccc(NC(=O)CSc2ccc(F)cc2)cc1 65603756 ROMSEEPNZDZGSW-UHFFFAOYSA-N 394.493 3.162 30 40 GGEB Cc1ccccc1OCCN(C)S(=O)(=O)Cc1ccc(Cl)cc1C#N 95993333 YCHSMXPZDMIHEY-UHFFFAOYSA-N 378.881 3.361 30 40 GGEB CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1cccc(C(=O)O)c1 100260787 HBILOYMFZXDUNO-VSBQEZMCSA-N 382.397 3.347 30 40 GGEB C=CCSc1nnc(NC(=O)C23C[C@@H]4C[C@H](CC(NC(C)=O)(C4)C2)C3)s1 101325310 PFNUZYNAADHEEB-AGCBMJJTSA-N 392.550 3.230 30 40 GGEB C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1Cl 224247848 XJKDWMXQQOGRAT-UHFFFAOYSA-N 394.880 3.090 30 40 GGEB N#Cc1cccc(C(=O)N2[C@H]3CC[C@H]2[C@]2(CCN(Cc4ccccc4)C2=O)C3)c1 306141349 VSYKNJXABXUJQS-HFMPRLQTSA-N 385.467 3.354 30 40 GGEB Brc1cc(/C=N\c2ccc3c(c2)OCO3)oc1N1CCOCC1 408819413 QSBWZNIBOPUFHV-NVMNQCDNSA-N 379.210 3.358 30 40 GGEB N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 409143097 ZAQMNWHAWQUKFV-RQZCQDPDSA-N 394.408 3.258 30 40 GGEB Cn1c2ccc(Br)cc2c2nnc(N/N=C/c3ccccc3O)nc21 4733818 GETBZFHRGWAXDB-DJKKODMXSA-N 397.236 3.431 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(Cl)cc1Cl 4915736 AQLYYMLYSRJENN-OTDPEBBPSA-N 382.243 3.249 30 40 GGEB C#CCN(Cc1ccc(C)cc1)C(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC)cc1 60100896 MPOLCIAOQLVKLT-SFHVURJKSA-N 398.528 3.347 30 40 GGEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@H]3O[C@@]32C(C)=O)C1 118936640 IKTIOUOCDGDFJO-DPXYMQEQSA-N 388.504 3.476 30 40 GGEB O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S[C@H]1Cc1cccc(Cl)c1 6057796 YKYTVJZJXKPYGZ-RPJLVFAOSA-N 388.836 3.412 30 40 GGEB CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C(\C)c1ccco1 5163391 YQLIEHULJGIZHX-SFQUDFHCSA-N 380.426 3.054 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccccc1 6238819 VIEWYCMXJHWTEX-LJQANCHMSA-N 381.428 3.310 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 7814559 VKWXCKMPRWCMNW-ZJTJJPTCSA-N 391.471 3.111 30 40 GGEB C=CCn1c(SCC(=O)N(C)Cc2ccsc2)nc2ccsc2c1=O 9726383 LNMBJERSGCFMMK-UHFFFAOYSA-N 391.543 3.456 30 40 GGEB Cc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(C)n1-c1ccc(C#N)cc1 409357387 IZDZMCMISZPWGA-UHFFFAOYSA-N 383.411 3.264 30 40 GGEB COc1ccc([C@H]2CCc3cc4c(cc3/C2=N\OC(C)=O)OCO4)cc1OC 5663739 ZLNILMHQBVKPMC-JUUUUTHISA-N 383.400 3.430 30 40 GGEB COC(=O)/C=C1\S/C(=N\C(=O)c2ccccc2)N(c2cccc(C)c2)C1=O 11847489 IKVYTSRSEPNSJB-BASNBYKJSA-N 380.425 3.328 30 40 GGEB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C#N)cc3)o2)c1 17227426 BWANUPCFDRJGON-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@H]2c2ccc(Cl)cc2)cc1 102864793 XROWCUJENMPITD-HVESIFNPSA-N 385.803 3.155 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 22122525 WAUWQWPUORYZEW-DJJJIMSYSA-N 387.509 3.332 30 40 GGEB COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCCCCC1 2238312 AGLSSNILSSDGRE-HZPDHXFCSA-N 382.464 3.195 30 40 GGEB C=C(C)CSc1nnc(SCC(=O)NCCOc2ccccc2)s1 12850486 NZFAJSZQLISQKR-UHFFFAOYSA-N 381.548 3.494 30 40 GGEB Cc1ccc(-c2nc(SCC(=O)Nc3ccccc3F)[nH]c(=O)c2C#N)cc1 5238303 FZKQCKZOAGIKJO-UHFFFAOYSA-N 394.431 3.487 30 40 GGEB Cc1ccc(C(=O)Oc2ccccc2C#N)cc1S(=O)(=O)N1CCCCC1 6628139 NDWQEJUVXKVIPR-UHFFFAOYSA-N 384.457 3.261 30 40 GGEB COc1ccc(/C=N/Nc2cc(C)nc(NS(=O)(=O)c3ccccc3)n2)cc1 4795135 WPPDEJRWGGGVLP-DEDYPNTBSA-N 397.460 3.040 30 40 GGEB CSc1ccccc1/N=C\[C@@H]1C(=O)NC(=S)N(c2ccc(C)cc2)C1=O 408752306 DBPGIOLDBHLXJQ-LPKQHDGYSA-N 383.498 3.483 30 40 GGEB Cc1ccc(-c2ccc(/C=N/NS(=O)(=O)c3ccccc3)o2)c([N+](=O)[O-])c1 408888171 XMSXHSAVWQFTTO-XDHOZWIPSA-N 385.401 3.476 30 40 GGEB N#Cc1nc(C2CC2)oc1N1CCN(Cc2cnc(-c3ccncc3)s2)CC1 611259969 HGBNYHDIYBWNER-UHFFFAOYSA-N 392.488 3.264 30 40 GGEB Cc1nc(Nc2ccc(C#N)nc2)cc([C@H]2CCCCN2Cc2cn(C)cn2)n1 585294421 QZFHRPYCBBJHNF-HXUWFJFHSA-N 388.479 3.256 30 40 GGEB C#CCOc1cccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)c1 12667736 UGJZOXLPQUEIHH-SFHVURJKSA-N 375.476 3.012 30 40 GGEB O=C(OCCOCC(F)(F)C(F)(F)C(F)(F)C(F)F)c1cccnc1 2570459 WXXKXDHUEWQHPP-UHFFFAOYSA-N 381.219 3.426 30 40 GGEB CC(C)C[C@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 6358138 HWLPNUJTYBIPRX-LJQANCHMSA-N 376.412 3.312 30 40 GGEB C=CCn1ccc2c(OCC(=O)Nc3ccc(NC(C)=O)cc3)cccc2c1=O 4584244 BKWPTEJKBVQKOD-UHFFFAOYSA-N 391.427 3.163 30 40 GGEB O=C(/C=C/c1ccco1)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccnc1 100914356 BZBWWQBYPXQVLI-AQKVLALTSA-N 387.395 3.248 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1C 31682831 PNKXOXWEJGHKHM-UHFFFAOYSA-N 379.247 3.114 30 40 GGEB CN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccccc2Cl)C3=O)CC1 22575480 FKXBMIFLIHPHME-UNOMPAQXSA-N 384.863 3.409 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)c(OC)c1 797888 NSLBUQBZBOZWPH-GOSISDBHSA-N 377.396 3.142 30 40 GGEB C=CCNC(=O)CSc1nc(C(F)(F)F)nc2c1cnn2-c1ccccc1 2624830 RXFQXKJFOBWYFA-UHFFFAOYSA-N 393.394 3.229 30 40 GGEB C[C@]12CCC[C@@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCc3ccc4c(c3)OCO4)C(=O)O[C@@H]1C2 4086379 SUPCUEQUOHUVAQ-IWAAMPASSA-N 399.487 3.032 30 40 GGEB COc1ccc(OC)c([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1 4859781 VSCITAHLSFHBFU-DGQTTZFYSA-N 392.415 3.213 30 40 GGEB CCN(Cc1ccccc1)c1ccc(/C=N/n2c(S)nnc(C)c2=O)cc1 6407100 JAVVGHRTJPCKIN-FYJGNVAPSA-N 379.489 3.144 30 40 GGEB COC(=O)C1=C(C)Nc2sc(C#N)c(N)c2[C@H]1c1ccc(OC)c(OC)c1 9306737 NIOFRIZNSWMKCV-HNNXBMFYSA-N 385.445 3.224 30 40 GGEB COc1ccccc1CCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21 12882538 DNRINTCEPXFLKL-NGDZOHSOSA-N 399.531 3.353 30 40 GGEB biogenic CCOc1cc([N+](=O)[O-])c(C(=O)OCc2cn3ccccc3c2C#N)cc1OC 12898268 RYHFQOOGNRJGAL-UHFFFAOYSA-N 395.371 3.483 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(NCC(C)C)o2)cc1 36627619 LKRVVRHMTMPHBP-UHFFFAOYSA-N 376.482 3.312 30 40 GGEB O=S(=O)(/N=C(\O)CCc1ccc(F)c(F)c1)c1ccc2c(c1)OCCO2 48461869 MLYQKXVOAMEVEH-UHFFFAOYSA-N 383.372 3.014 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(O)/C=C/c2cc(Cl)c3c(c2)OCO3)cc1 48581611 QKBBYNFHEZWSRJ-FARCUNLSSA-N 395.820 3.436 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccnc1 100508966 NWPTWSDWUZAHNX-YDJIHCHBSA-N 393.487 3.154 30 40 GGEB C=CCN(c1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OCC)cc1 224585971 AQQAFZMCEZUDTQ-UHFFFAOYSA-N 375.446 3.253 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C)cc1 6196414 RYXXZUJMTKSGNF-IBGZPJMESA-N 397.427 3.311 30 40 GGEB CO[C@H](/C(O)=N/S(=O)(=O)c1c(Cl)nc2ccccn12)c1ccccc1 58104138 IPAYTGYAJDFRSQ-ZDUSSCGKSA-N 379.825 3.021 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1ccco1 4427659 BZDFWUTYSXPHCN-LFVOPCPISA-N 394.427 3.399 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCC#N)C1=O 409048651 UCSVINCMDGQGLA-UKTHLTGXSA-N 377.219 3.021 30 40 GGEB Cc1[nH]c(=O)nc(N/N=C/c2ccc(O)cc2)c1C(=O)Nc1ccc(Cl)cc1 5833273 QYOVAJHUYCCKRM-UFFVCSGVSA-N 397.822 3.136 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)NCc1ccccc1Cn1cccn1 10235170 XXDAHGGCYRCNDR-UHFFFAOYSA-N 385.427 3.425 30 40 GGEB Cc1noc(C)c1-c1ccc(CNC(=O)C(=O)Nc2cc(Cl)ccc2C#N)o1 1889024328 MKXRQYCZNLTXGT-UHFFFAOYSA-N 398.806 3.331 30 40 GGEB COc1ccccc1[C@H]1/C(=C(\O)c2cccs2)C(=O)C(=O)N1C[C@@H]1CCCO1 102862431 YNOVZBYOGBOQBZ-UZRPUMSXSA-N 399.468 3.357 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C(\N=N/c2ccc(C(=O)O)cc2)c2ccccc2)n1 100773205 LYGOOYSZLYPAOV-OFVDSQFFSA-N 376.376 3.334 30 40 GGEB C=CCOc1ccccc1/C=c1\sc2nc(/C=C/c3ccccc3)nn2c1=O 27021563 VQGFXNZQWNNJLD-JFNIHZHXSA-N 387.464 3.434 30 40 GGEB CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cc(C)cc1C 5370138 OQHFUICNNOATNX-FXDIGPMBSA-N 380.535 3.013 30 40 GGEB C#CCOc1ccc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)cc1 4655875 QEWAIIALPZXNAZ-VZVABOCNSA-N 378.409 3.483 30 40 GGEB C[C@@H](Oc1ccc[nH]/c1=N\S(=O)(=O)c1cccc(C#N)c1)c1ccccc1 84660463 DHMPMMKZDRMETD-OAHLLOKOSA-N 379.441 3.316 30 40 GGEB C=CCn1c(SC[C@@H](O)COc2ccccc2F)nnc1-c1ccncc1 7198991 IJOOZQPMVMGTBP-HNNXBMFYSA-N 386.452 3.197 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9710499 KCUNJBQBKSJEEF-UHFFFAOYSA-N 399.414 3.491 30 40 GGEB C#CCN(Cc1ccco1)C(=O)N[C@H]1CCN(c2cc(Cl)ccc2OC)C1 72313332 IJVLJJMPLVDDHA-INIZCTEOSA-N 387.867 3.365 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)N1CC(OCc2cccc3ccccc23)C1 72308928 VUUWCSVLUNXROH-HXOBKFHXSA-N 379.504 3.484 30 40 GGEB CCN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1cc(C)ccc1C 225931825 UGTDSPMNTZCYHC-UHFFFAOYSA-N 385.489 3.019 30 40 GGEB N#Cc1ccccc1NC(=O)CSc1nnc(COc2ccccc2F)[nH]1 14152651 FWLPBBYXXILKHL-UHFFFAOYSA-N 383.408 3.125 30 40 GGEB O=S(=O)(N/N=C\c1ccc(O)cc1O)c1cc(Cl)c(Cl)cc1Cl 17379844 RIGPAAZGVWRVHW-FMQZQXMHSA-N 395.651 3.370 30 40 GGEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](COc3ncccc3Cl)C2)cc1 1890825195 AEPRZMVCTMCZNP-OAHLLOKOSA-N 391.880 3.086 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)/N=C(\c2ccc(Cl)cc2)N2CCOCC2)c1 18061178 RAZIDNDXDCUIII-XUTLUUPISA-N 392.908 3.425 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)n1 31683187 JWVNASPPWXPJJQ-LBPRGKRZSA-N 392.366 3.000 30 40 GGEB COc1cc(C#N)ccc1OCC(=O)Nc1ccc(Br)cc1F 3428650 ZFGWBKUEIOTOHI-UHFFFAOYSA-N 379.185 3.486 30 40 GGEB COc1ccc2c(C)cc3nnc(SCC(=O)N[C@](C)(C#N)C4CC4)n3c2c1 3449348 DEDHHNLJJMODDO-HXUWFJFHSA-N 395.488 3.100 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)/C=C/c1cc(Br)ccc1F 6431514 FGFWMVYHDYMFBU-BBOMDTFKSA-N 397.244 3.199 30 40 GGEB O=C(Cc1ccc2c(c1)OCCO2)N1CCS/C1=N\CCc1ccccc1 6787396 ATKPIFQHUOISRJ-DQRAZIAOSA-N 382.485 3.174 30 40 GGEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccccc2)N(C)C(=O)N1C 12699487 ONVJMXXUIPSCDC-GOSISDBHSA-N 378.428 3.425 30 40 GGEB COc1ccccc1N1C(=O)[C@@H](C)S/C1=N\S(=O)(=O)c1ccccc1C 13843609 PLUKKJNHFDVWBU-LTFJSZEESA-N 390.486 3.217 30 40 GGEB N#Cc1c(SCC(=O)NCc2ccco2)nc(N2CCCC2)c2c1CCCC2 20573276 SYKJZRGNLMMASR-UHFFFAOYSA-N 396.516 3.434 30 40 GGEB CNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C#Cc3cccs3)c2)cc1 22959534 NJPULZNBVUCBCB-UHFFFAOYSA-N 396.493 3.308 30 40 GGEB N#Cc1c(NC(=S)NC(=O)c2ccc3nsnc3c2)sc2c1CCC2 57315862 JSYAOOWQPOSNLW-UHFFFAOYSA-N 385.499 3.240 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102892003 BKMJZMICAZTSLF-GROYHEBESA-N 375.359 3.242 30 40 GGEB CCc1nnc(S)n1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 408860928 IRSWJXHSMDNASF-YBFXNURJSA-N 383.433 3.499 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 3463489 JATXKWFCNVOXAG-UHFFFAOYSA-N 379.485 3.397 30 40 GGEB CCCCN(CCCC)c1nc2ccccc2nc1[C@H](C#N)C(=O)NCCOC 4836906 FGGCUGJKKDQLFP-KRWDZBQOSA-N 397.523 3.406 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccccn1 5799468 ZFKIUIYNAKCWIY-NHFXJNLRSA-N 393.487 3.154 30 40 GGEB N#Cc1ccc(OCC(=O)OCc2cc(=O)oc3cc4c(cc23)CCC4)cc1 5990450 GIYWZNUZDOIQEN-UHFFFAOYSA-N 375.380 3.276 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cccnc2)c1 6078108 WOBMDUMNFVGNKY-IBGZPJMESA-N 396.443 3.095 30 40 GGEB N#Cc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1 8190385 CMWPVOUHRHYYSW-UHFFFAOYSA-N 384.457 3.420 30 40 GGEB C=CCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C 8747970 VUTGPEGNQAHOBK-UHFFFAOYSA-N 378.432 3.366 30 40 GGEB CC(C)(C)c1ccc(/C=C2\SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 12625568 CLUWXTBOKBRGGJ-SDXDJHTJSA-N 382.533 3.486 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12878687 GZUUZULNWZQEDN-WMZOPIPTSA-N 377.444 3.203 30 40 GGEB CCCC1(CCC)NC(=O)N(Cc2c(C#N)c(C)nn2-c2ccccc2)C1=O 27189575 BACMCHHAGQJKDI-UHFFFAOYSA-N 379.464 3.443 30 40 GGEB Cc1ccccc1C(=O)NCCCNc1nc2cc3c(cc2cc1C#N)OCO3 35311924 ZUNJKCMJURBYGN-UHFFFAOYSA-N 388.427 3.376 30 40 GGEB N#Cc1ccc(OC/C(O)=N/S(=O)(=O)c2ccccc2C(F)(F)F)cc1 48586408 GXEVQIIAIVYZAM-UHFFFAOYSA-N 384.335 3.301 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)NCC[C@H](CC)N2CCCC2=O)cc1OC 58341632 UWMCKQDXOXSAAQ-CKDFRHGISA-N 386.492 3.181 30 40 GGEB COc1ccc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)c(OC)c1OC 100790789 CKQRSOQZJNBHCN-CQSZACIVSA-N 394.379 3.076 30 40 GGEB biogenic CCN1C(=O)/C(=C/c2cccs2)S/C1=N/S(=O)(=O)c1ccccc1 100895769 IXVDXYHJXXXGGV-UGCQAGLLSA-N 378.500 3.429 30 40 GGEB CCCS/C(N)=N/N=C/c1cc(C)cc(/C=N/N=C(\N)SCCC)c1O 101889416 WIVUGSSNPYQFEL-CLVAPQHMSA-N 394.570 3.284 30 40 GGEB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)/N=C1/C=C(Cl)C(=O)c2ccccc21 102628620 XBFFDPURSOSVQW-CYVLTUHYSA-N 390.804 3.400 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2cccnc2)cc1 102716739 FBNQRXBTTVJODG-SELCWUDQSA-N 391.383 3.013 30 40 GGEB CN(C)c1ccc([C@@H]2O[C@@]34CCCC[C@@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 103450609 CZWALWSGPQPRHA-SQBLYHGDSA-N 375.432 3.261 30 40 GGEB CC[C@@H](C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409353798 RSDLVGICSBUSOC-GFCCVEGCSA-N 382.376 3.070 30 40 GGEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC 3218529 ZQGCGBPKJBHZDK-SFHVURJKSA-N 388.464 3.394 30 40 GGEB CCCCCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)cc2)C1 59931570 PELQKTSCPTXEMH-GOSISDBHSA-N 380.554 3.482 30 40 GGEB N#Cc1ccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12754574 XWVUSDYQICMBQO-IBGZPJMESA-N 377.444 3.495 30 40 GGEB C#CCNC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1-c1ccc(C)cc1C 48366016 JMHDEYXNTROMFL-MRXNPFEDSA-N 391.500 3.176 30 40 GGEB CCOC(=O)C1=C(C)/C(=N\Nc2cc([N+](=O)[O-])ccc2Br)N=C1C 100845021 YCLCAHFIFMYGTG-XMHGGMMESA-N 395.213 3.437 30 40 GGEB COc1cccc(/C=N/n2c(=S)[nH]nc(C)c2=O)c1OCc1ccccc1 5182321 RNXPPMOIKHGOLA-RGVLZGJSSA-N 382.445 3.079 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C 32506708 PQZCNCJPKDCYAK-WMEZAZGNSA-N 380.535 3.033 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)c(C#N)c1 225772759 AOSVQAVWQAVJRD-UHFFFAOYSA-N 378.428 3.479 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1[N+](=O)[O-] 59370327 NIPDFTHODBMOBJ-QGZVFWFLSA-N 376.368 3.336 30 40 GGEB Cc1cccn2c(=O)c(/C=N/O)c(N3CCC(Cc4ccccc4)CC3)nc12 26779546 MUMGVCOAYFHRTG-HZHRSRAPSA-N 376.460 3.270 30 40 GGEB CCOc1ccc(CC(=O)OCC(=O)Nc2cccc(C#N)c2)cc1OCC 72330956 ZNQKKWDBBIJMHM-UHFFFAOYSA-N 382.416 3.080 30 40 GGEB CC(=O)O[C@@H](CO)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C 118927857 JPBGWEMFLWGZNK-YIMJPLONSA-N 390.520 3.029 30 40 GGEB C=CCN(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc(OC)cc1 7759406 ZQSMDPWBGXFUNE-UHFFFAOYSA-N 385.445 3.122 30 40 GGEB N#CC1(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)CCCCC1 8275274 HCSGXWXRVGNUOL-SFHVURJKSA-N 383.492 3.327 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)cc1 17179594 LQRRPCFJCRGRCN-IBGZPJMESA-N 382.460 3.426 30 40 GGEB CN1/C(=C\C(=O)COC(=O)COc2ccc(C#N)cc2)C(C)(C)c2ccccc21 18178985 ISWNHKBTUIHJAH-MTJSOVHGSA-N 390.439 3.361 30 40 GGEB COc1cc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)cc(OC)c1OC 95430346 YNEUFYASRWTCOY-IBGZPJMESA-N 381.476 3.095 30 40 GGEB Cc1ccc(N2C(=O)NC(=O)[C@@H](C=Nc3cc(Cl)ccc3C#N)C2=O)cc1 408536249 QRQIEZMHKMGLSN-OAHLLOKOSA-N 380.791 3.122 30 40 GGEB CC(C)(C)n1nnc(CC(=O)Nc2sc3c(c2C#N)-c2ccccc2CC3)n1 598808523 RSMUJYACFMTLDY-UHFFFAOYSA-N 392.488 3.308 30 40 GGEB COC(CN1C(=O)C(=O)/C(=C(/C)Nc2ccccc2)[C@@H]1c1ccccc1)OC 100248914 MUFWMRTZIIHZJU-YKRMCXMESA-N 380.444 3.144 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nc1C 7149696 OEGMZGBPRRWKEK-CHWSQXEVSA-N 375.494 3.035 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)Cc3ccc(OC(F)F)cc3)CC2)cc1 23796990 QPWRNFVTWNGWMW-UHFFFAOYSA-N 385.414 3.047 30 40 GGEB CC1(C)CC(=O)C(=CNn2c(-c3ccccc3)nc3ccccc3c2=O)C(=O)C1 3172197 UYKIEUPZEWHSMP-UHFFFAOYSA-N 387.439 3.449 30 40 GGEB C=CCN1CC[C@@]2(CN(Cc3ccc(OC)cc3)C[C@@H]2c2nccs2)C1=O 306124665 BWBGTHLYOXKUDW-NQIIRXRSSA-N 383.517 3.156 30 40 GGEB C#CCOc1ccc(/C=C2/SC(=O)N(CCOC)C2=O)cc1Br 409123454 BYBGDLHHBSQAOC-GXDHUFHOSA-N 396.262 3.144 30 40 GGEB C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(OC)c1OCC(=O)O 409021743 WMKCMSCWCYPQAS-OQLLNIDSSA-N 391.445 3.332 30 40 GGEB S=C(NN=Cc1cc2c(cc1Br)OCO2)Nc1ccccc1 16489940 XILLEMRMRRDNTD-UHFFFAOYSA-N 378.251 3.498 30 40 GGEB CC(C)N(C(=S)/N=C1\SCS(=O)(=O)N1Cc1ccccc1)C(C)C 17108234 XYCOCAFQTJBUEJ-MSUUIHNZSA-N 385.580 3.282 30 40 GGEB O=C1CN(C/C(O)=N/c2nc3ccc(F)cc3s2)CCN1C1CCCC1 19656671 IXFNCOZARWUPFH-UHFFFAOYSA-N 376.457 3.110 30 40 GGEB Cc1ccc(/C=N/NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 1469676 MPZQNLMGYRAWLN-FYJGNVAPSA-N 379.489 3.113 30 40 GGEB N#Cc1cnc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)c(Cl)c1 1888875802 XXXMCDYQJIMXCW-UHFFFAOYSA-N 380.883 3.089 30 40 GGEB CCOC(=O)Cc1ccc(/N=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 4181808 XTZUVLOCADHWFS-PXLXIMEGSA-N 397.431 3.288 30 40 GGEB CCOC(=O)N1C[C@H](C)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C 8663701 UHQXUOPXEWVVTK-LVOBAJNXSA-N 379.373 3.158 30 40 GGEB COC(=O)c1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCCC3)C2=O)cc1 20624323 FHBUBKBWIZJUJX-UNOMPAQXSA-N 379.412 3.391 30 40 GGEB Nc1ccc(S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc1 102580307 HXNYYUMAYVPURH-UHFFFAOYSA-N 387.248 3.145 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)Nc3cc4c(cc3Cl)OCO4)CC2)nc1 24148098 RSNUSDKIHSXGRC-UHFFFAOYSA-N 384.823 3.190 30 40 GGEB C/N=C1\S/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N1C 9261262 FLFAOQAREDOCMY-OUYOUGTCSA-N 382.441 3.496 30 40 GGEB C=CCOc1ccc(CN(C)C(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)cc1 12785209 VRUWYCRMCYUMLM-UHFFFAOYSA-N 389.455 3.180 30 40 GGEB O=S(=O)(/N=C(\N=c1cc[nH]cc1)c1ccccc1Cl)c1cccs1 6139793 SXRSFAKKHPJJJS-UHFFFAOYSA-N 377.878 3.466 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccncc1 6785093 RCHVVDJNTCRZPG-WOOAAIBNSA-N 397.475 3.137 30 40 GGEB CCCCCCCN1C(=O)C[C@H](C(N)=O)S/C1=N\c1ccc(OC)cc1 97959683 KOHICFWDDLAQNQ-BSBNDGSWSA-N 377.510 3.473 30 40 GGEB Cc1ccc(C)n1NC(=O)c1ccc(OCC(=O)Nc2ccc(C#N)cc2)cc1 8120856 NVVXLYQHNUYHGZ-UHFFFAOYSA-N 388.427 3.378 30 40 GGEB Cc1oc(NC(=O)CN2CCN(c3nc4ccccc4s3)CC2)c(C#N)c1C 84061161 MODWQBUVQLATQR-UHFFFAOYSA-N 395.488 3.139 30 40 GGEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1ccc(F)cc1 225870547 MXIOCFZJTUULRD-UHFFFAOYSA-N 375.451 3.456 30 40 GGEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224745631 JUKDWBASKCDELX-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB CN1/C(=C\C(=O)CN2C=Nc3ccccc3S2(=O)=O)C(C)(C)c2ccccc21 585145915 XLNRDFCOQAZUJF-NDENLUEZSA-N 395.484 3.231 30 40 GGEB COc1cccc(/N=C2\N=C(O)S\C2=C\c2cccc(OCC(N)=O)c2)c1 95479562 YTCUITOSJSRCAX-CXUHLZMHSA-N 383.429 3.291 30 40 GGEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2C#N)C1 4280347 KMEZFZZWJASBDP-UHFFFAOYSA-N 385.445 3.395 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1ccc(Cl)c(Cl)c1 4986761 ZEPMZIVJWHYAGI-UYNUJQBQSA-N 382.243 3.249 30 40 GGEB N#Cc1c(CCCNCc2ccc(-c3nc4ccccc4s3)o2)n[nH]c1N 8395456 PZUZLSGOHPYHBE-UHFFFAOYSA-N 378.461 3.456 30 40 GGEB COc1cccc(N2CCN(c3nn(-c4ccc(Cl)cc4)nc3C#N)CC2)c1 8694304 FXOJOVALXGUIHR-UHFFFAOYSA-N 394.866 3.128 30 40 GGEB C#CCOc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)cc1 20729189 ZUFPUARJRUZCSB-GOSISDBHSA-N 391.456 3.407 30 40 GGEB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1C#N)n2CCC(C)C 89955472 CSHRHGUOGYOQGN-UHFFFAOYSA-N 379.464 3.271 30 40 GGEB COc1cc2nc(SCC#N)n(CCc3ccccc3)c(=N)c2cc1OC 100330694 CFDWIXLGQPPHIJ-UHFFFAOYSA-N 380.473 3.391 30 40 GGEB C#CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408803115 LJYQNXNEVZJRJH-SFQUDFHCSA-N 394.814 3.327 30 40 GGEB COc1cccc(/C=N/N2C(=O)N[C@@](C)(c3ccc(OC(F)F)cc3)C2=O)c1 3579818 DVYIGNAASIEFQM-QKXOWGBTSA-N 389.358 3.098 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1OCC 4855539 VEZVBVGZZIWMHK-UHFFFAOYSA-N 395.488 3.122 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](c1ccccc1F)c1nccn1C 9156863 UTYAMXXVJYVKHJ-IFXJQAMLSA-N 378.407 3.104 30 40 GGEB COC(=O)c1ccc(/C=N/O[C@H](C)c2nc(N)nc(Nc3ccccc3)n2)cc1 12761454 VDXZARBSKFKNOB-UMYHVIPVSA-N 392.419 3.096 30 40 GGEB COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@@]4(CO4)[C@@H]3C[C@@H]21 12885981 AQSSCMNLIVYIHH-WYXPGKNVSA-N 385.504 3.312 30 40 GGEB biogenic Cc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)o1 17122486 UZBMRPSSWVHSPL-IBGZPJMESA-N 394.427 3.474 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23381254 CBKXZKIFPWVRAF-UHFFFAOYSA-N 377.326 3.207 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218371186 JTSSQVGGACJVGT-CMKODMSKSA-N 387.432 3.147 30 40 GGEB CC(C)Oc1ccc(C(=O)N2CC[C@@H]3CN(c4ccc(C#N)cn4)C[C@@H]32)cc1 1889148949 YCLFFGIZVCXWQL-QUCCMNQESA-N 376.460 3.091 30 40 GGEB CC(C)(C)c1ccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)cc1 10357797 WLEPYHYVESCRBM-UHFFFAOYSA-N 399.516 3.455 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl 3580280 SEEVHIFLJNKUMG-UHFFFAOYSA-N 385.876 3.433 30 40 GGEB C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 5274793 VGWFNPAXQQIJSL-KRWDZBQOSA-N 385.370 3.317 30 40 GGEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(F)c(Cl)c1 5403735 AASFDDUELOMDCF-APSNUPSMSA-N 384.860 3.450 30 40 GGEB N#Cc1cc2c(nc1SC[C@@H](O)C[S@@](=O)Cc1ccccc1)CCCC2 5427609 JPSZIRJWBPXYBY-WXTAPIANSA-N 386.542 3.234 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc2ccsc2c1=O 9691188 YVDSGLBDWZIBLE-QWHCGFSZSA-N 377.535 3.431 30 40 GGEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)c1cnc(C)cn1)Cc1ccccc1O2 12365585 ZGWPCQXURAUCAX-HSZRJFAPSA-N 392.503 3.231 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccccc1 102874684 RZRDXWSCDCRLRB-LFVOPCPISA-N 381.428 3.153 30 40 GGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@H]12 12661490 PAXXEMKFBLFNJK-TWHPPBISSA-N 375.509 3.140 30 40 GGEB biogenic CCOc1ccc(C(=O)O)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 20026292 LGHLCYGUTHHSQK-UHFFFAOYSA-N 381.428 3.485 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 32505658 WWVDWCUUBCSLKG-YPWSZFOLSA-N 380.535 3.095 30 40 GGEB N#Cc1nn(-c2ccccc2Cl)nc1N1CCN(Cc2ccccc2)CC1 256047787 OSDMVNYOILZCKA-UHFFFAOYSA-N 378.867 3.115 30 40 GGEB O=S(=O)(N/N=C1/CCCc2ccccc21)c1ccc(Br)cc1 13108602 YYSQNBQAJUVZLO-VLGSPTGOSA-N 379.279 3.468 30 40 GGEB COc1ccc2c(=O)n(CC3CCN(Cc4cccc(C#N)c4)CC3)cnc2c1 1889252047 XNFHXWXKCSDNJS-UHFFFAOYSA-N 388.471 3.189 30 40 GGEB CC(=O)/C=C(\C)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 100758619 GITAXJVALWKUEC-CNCHJIQNSA-N 375.472 3.478 30 40 GGEB biogenic C=CCOc1ccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1OCC 2123696 ATRRQVKEUNPNIV-UHFFFAOYSA-N 388.489 3.029 30 40 GGEB C=CCNc1nnc(SCc2noc([C@H]3COc4ccccc4O3)n2)s1 84638159 ADXKHTXFWPGTSW-GFCCVEGCSA-N 389.462 3.324 30 40 GGEB N#Cc1ccc(CN2CCCN(Cc3nc(-c4cccs4)no3)CC2)cc1 24244406 XUKCNZFBJUYAPK-UHFFFAOYSA-N 379.489 3.378 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[nH]c(=O)c2[C@@H]1c1cccnc1 4292298 VEROYPRWQRXVFT-OAHLLOKOSA-N 396.472 3.004 30 40 GGEB C[C@@H](C#N)CSc1ccccc1NC(=O)Cn1cnc2ccccc2c1=O 65453376 OWNLJVSMVXNAKR-AWEZNQCLSA-N 378.457 3.287 30 40 GGEB N#Cc1c(NC(=O)COc2cc(Cl)ccc2C(N)=O)sc2c1CCCC2 84343844 CHVRVHZUUBYWDM-UHFFFAOYSA-N 389.864 3.268 30 40 GGEB C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C#CC(C)(C)O)cc1 4679059 HBSISALHNMXSLP-MOSHPQCFSA-N 382.376 3.462 30 40 GGEB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1C#N 7247303 KKWXMFAMILNFCZ-UHFFFAOYSA-N 398.271 3.124 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 7763619 YSTFJGKYYWGRIN-KRWDZBQOSA-N 375.523 3.488 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCC(=O)O)c(OCC)c2)C1=O 409101291 SLTBVHQCHXHMRJ-MDWZMJQESA-N 397.836 3.424 30 40 GGEB CCOC(=O)Cc1csc(N/N=C\c2ccc(OC(C)C)c(OC)c2)n1 31833923 YLLCDEVYDMOTBB-GRSHGNNSSA-N 377.466 3.491 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O 30873121 QMDIPBLJRFKPJU-AWEZNQCLSA-N 376.453 3.269 30 40 GGEB COc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(Cl)cc1Cl 647441 MMNKRGOIZMAMBY-DNTJNYDQSA-N 393.234 3.032 30 40 GGEB COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@@H]3c2cccc(O)c2)cc1 17028785 QGFWBFHXPDTXPW-QVKFZJNVSA-N 388.427 3.408 30 40 GGEB CCOC(=O)[C@]1(C)/C(=N/Nc2ccccc2Cl)C(=O)C(=O)N1c1ccccc1 100207714 SNJFPRTZCVKAJF-UZXYXVAJSA-N 399.834 3.046 30 40 GGEB COCCCn1c(C)c(C)c(C#N)c1NC(=O)CN1CCCc2ccccc21 21670638 HIHKKJQQYRKEAU-UHFFFAOYSA-N 380.492 3.404 30 40 GGEB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C#N)C(=O)c2ccc3cc[nH]c3c2)c1C 103613481 LAJIDSDDTPGCCR-OAHLLOKOSA-N 377.400 3.495 30 40 GGEB Cc1sc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c(C#N)c1C 12855197 CQGOHKRVTSQANX-UHFFFAOYSA-N 397.909 3.149 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccsc1 4742183 XQRURRVDYROTDP-JCGVRSQUSA-N 385.441 3.135 30 40 GGEB CCN1C(=O)CS/C1=N\c1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1 17079595 LOQWGWFEFLGQPH-QNGOZBTKSA-N 390.337 3.210 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 17180873 CMIHFRYUFCPGHY-IBGZPJMESA-N 381.428 3.228 30 40 GGEB N#Cc1cc(F)ccc1NC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 89768456 OLUKQBAUVWIDKW-CQSZACIVSA-N 382.443 3.427 30 40 GGEB N#Cc1nccnc1O[C@H]1CC[C@H](NC(=O)c2ccc3ncsc3c2)CC1 252535978 HJDMRHRESYVFJU-HDJSIYSDSA-N 379.445 3.078 30 40 GGEB COc1cc(OC)c(OC)cc1C=NN1CCN(Cc2ccc(C)cc2C)CC1 257345477 QHRYBCOECPZUEY-UHFFFAOYSA-N 397.519 3.481 30 40 GGEB CCOC(=O)C1=C(Nc2ccccc2)S[C@@]2(CC(C)=C(C)C[S@@]2=O)C1=O 5499648 ONZKHYYDQLOZOL-NIYFSFCBSA-N 391.514 3.374 30 40 GGEB CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N\c1ccc(O)cc1 16937025 ZHKXUPYSOVFZCR-SMFDUERQSA-N 384.413 3.089 30 40 GGEB C#CC(CC)(CC)NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1 32994425 VTKBRSIQEVIPCY-UHFFFAOYSA-N 384.501 3.434 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@@H]1c1ccc(Cl)cc1 102880110 VAMWMSQGWGIEAG-UYTDBDHRSA-N 375.808 3.391 30 40 GGEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccc(F)cc2)s1 102894697 QUVFGEYRXZAAAG-MRPLLJTBSA-N 385.376 3.205 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@H](C(=O)NC1CCCC1)c1ccc(F)cc1 1378530 OOFNOKFSQDDKBH-KRWDZBQOSA-N 388.468 3.106 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccnn2C(C)C)nc2ccsc2c1=O 23175823 IMCZRJFPHSNUQN-UHFFFAOYSA-N 389.506 3.152 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104682566 JJTSQVQWMIWBHB-QBYUYEEZSA-N 398.532 3.011 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCc3ccc([N+](=O)[O-])cc3)nnc12 3288308 CNWVOLDNYDOIRU-UHFFFAOYSA-N 393.428 3.431 30 40 GGEB N#Cc1ccc(NCCNC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)nc1 12973559 PEUGIMZFEGOQBR-UHFFFAOYSA-N 395.850 3.423 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1 13162074 PUUUKSHZNMRJLP-IBGZPJMESA-N 399.418 3.449 30 40 GGEB CC(C)(C)COc1ccc([N+](=O)[O-])cc1C=Nn1c(O)nc2ccccc2c1=O 409366410 RDYCBVWCVUYXPM-UHFFFAOYSA-N 396.403 3.317 30 40 GGEB Cc1ccc(N2CC(=O)C(c3nc4ccccc4n3C)=C2N)c(Br)c1 5182976 CCYKQMGFSMOEHC-UHFFFAOYSA-N 397.276 3.361 30 40 GGEB N#Cc1cc2c(nc1SC[C@@H](O)C[S@](=O)Cc1ccccc1)CCCC2 5427601 JPSZIRJWBPXYBY-DWXRJYCRSA-N 386.542 3.234 30 40 GGEB CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 3881637 HPAKILCZTKWIFK-JZTHCNPZSA-N 388.504 3.382 30 40 GGEB biogenic,in-vitro COc1ccc(-c2c(C#N)c(N)nc3c2CCS(=O)(=O)c2ccccc2-3)cc1 31895425 GKUDKCUNCIVKGN-UHFFFAOYSA-N 391.452 3.208 30 40 GGEB Cc1cccnc1CN1CCCC[C@@H]1c1c[nH]c(=Nc2ccc(C#N)nc2)cn1 585293392 GNDJTSOOMXRPLC-OAQYLSRUSA-N 385.475 3.339 30 40 GGEB Cc1nn(C)c2ncc(C(=O)O/N=C(\N)c3ccc(Cl)cc3)c(Cl)c12 4286738 XBMFAHILKFTAJR-UHFFFAOYSA-N 378.219 3.061 30 40 GGEB N#Cc1cnc(N2CCC(Cn3cnc4ccccc4c3=O)CC2)c(Cl)c1 1775972851 YUCOTDOQAZIURZ-UHFFFAOYSA-N 379.851 3.233 30 40 GGEB COc1ccc2nc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)sc2c1 4583420 MTBSOWCYHKNARN-UHFFFAOYSA-N 378.457 3.139 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OC 6490407 FNOLUNUWJJXTTE-LGMDPLHJSA-N 384.501 3.440 30 40 GGEB Cc1cc(C(=O)Cn2cc([N+](=O)[O-])cc(C#N)c2=O)c(C)n1-c1ccccc1F 7121580 VCJPXPODHBFVFZ-UHFFFAOYSA-N 394.362 3.058 30 40 GGEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1cccc(F)c1)c1ccccc1 17206043 BUZFOHOWVMKMOJ-KRWDZBQOSA-N 375.359 3.399 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCC#N 19804644 QGLRDOVLWJZBGL-IBGZPJMESA-N 386.407 3.330 30 40 GGEB C=CCOc1cccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)c1 218454111 FZFDJGGNYQMJBI-AWEZNQCLSA-N 392.452 3.184 30 40 GGEB C=CCOc1ccccc1C=c1sc2nc(-c3cccc(C)c3)nn2c1=O 254860900 VKWDZXROIWMWFA-UHFFFAOYSA-N 375.453 3.239 30 40 GGEB O=C1NC(=O)N([C@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc2ccccc12 408537550 WFCQCUADIIHXDO-CJCBUOBESA-N 375.428 3.425 30 40 GGEB N#CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1 3289474 CNAMUAMIISQYJD-SFHVURJKSA-N 381.819 3.229 30 40 GGEB COc1ccc(CN2CCN([C@@H](C#N)c3ccccc3)CC2)c(OC)c1OC 89435090 IQIPXXIKCYAMKX-IBGZPJMESA-N 381.476 3.095 30 40 GGEB CN(C)c1ccc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 32109908 FVLLWXBMJCPFCC-MOSHPQCFSA-N 398.444 3.126 30 40 GGEB CNC(=O)COc1ccc(/C=C/C(=O)c2ccc(OC(F)F)cc2)cc1OC 40139568 CSXAHKDNFGMVGA-YCRREMRBSA-N 391.370 3.318 30 40 GGEB Cc1cc(OCC(=O)Nc2cccc(C#N)c2)nc(N2CCc3ccccc3C2)n1 48986150 PFQHOCMFOVWJDI-UHFFFAOYSA-N 399.454 3.237 30 40 GGEB N#Cc1ccccc1OCCN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 59931812 RSFPJDAEMUGJQL-UHFFFAOYSA-N 392.455 3.303 30 40 GGEB CCOc1cc(/C=N/NCCC#N)c(Br)c(Br)c1O 2772709 PPZQITULNHPFGF-REZTVBANSA-N 391.063 3.153 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@H](c2ccco2)/C1=C(\O)c1cccs1 104217552 PBXVSAUVORPGEX-IBOXJLQUSA-N 383.429 3.050 30 40 GGEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20358395 JSURUBARJYFZKZ-XWSJACJDSA-N 375.815 3.379 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccc(Cl)c1 102798325 FYYJXVFACDTAFA-UYTDBDHRSA-N 375.808 3.310 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)n1 7985057 TXBCXNHMLMHUHF-NSHDSACASA-N 379.781 3.046 30 40 GGEB C=CCn1c(N)c(S(=O)(=O)c2cccc(C)c2)c2nc3ccccc3nc21 2404270 NXBIEIXYQPYSCN-UHFFFAOYSA-N 378.457 3.494 30 40 GGEB CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)c(O)c1 2740631 NLJTXEPFUUTTSL-XDHOZWIPSA-N 381.885 3.204 30 40 GGEB C=CCn1c(N)c(C(=O)NCc2ccc(OC)cc2)c2nc3ccccc3nc21 5055104 GVDCLSFDJRKTPG-UHFFFAOYSA-N 387.443 3.291 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)COC(=O)c3ccc(C=O)cc3)c2C#N)C1 6407995 ITSCXANUEIXHNW-LBPRGKRZSA-N 382.441 3.353 30 40 GGEB Cc1c(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccn2c1CCC#N 4980075 VQJZNQAQBQQPRS-UHFFFAOYSA-N 395.484 3.185 30 40 GGEB Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3ccccc3C(F)(F)F)c(=O)n2c1 16752170 GHQUZWILUJJQJR-UHFFFAOYSA-N 396.328 3.198 30 40 GGEB N#CCSc1nc2ccc(NC(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C(=O)O)cc2s1 408751301 YYOKCULTCSISHF-FCIDVOKBSA-N 385.470 3.373 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(F)c1 32635463 JXZXVKQMBBVWAI-VFAFWLKOSA-N 398.525 3.172 30 40 GGEB CC1=C/C(=N/NC(N)=S)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 17222927 JFUDBCXCGILAGW-YCRPJSQGSA-N 377.354 3.024 30 40 GGEB O=S(=O)(N/N=C/c1ccc(O)cc1O)c1cc(Cl)c(Cl)cc1Cl 1657196 RIGPAAZGVWRVHW-UBKPWBPPSA-N 395.651 3.370 30 40 GGEB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2O)N1/N=C/c1ccc(O)cc1O 849534 VDQJBQRCKSGLNS-PDEZOQIOSA-N 391.383 3.110 30 40 GGEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2ccc(Cl)cc2)c2ccccc21 1889188 CGVMXQHMNSHGRA-ZCXUNETKSA-N 396.830 3.393 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(OC)c1 3094442 CZDJJOSUJHDWKE-FQEVSTJZSA-N 399.487 3.489 30 40 GGEB Cc1cc(SCC(=O)NC[C@@H]2CCCO2)n2c(nc3ccccc32)c1C#N 4270051 FMKNJKJVFYBAOF-AWEZNQCLSA-N 380.473 3.055 30 40 GGEB CC(=O)OC[C@H]1O[C@@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 4783358 KNXNDGHPTWDHLL-CGDAUVCTSA-N 388.504 3.190 30 40 GGEB COc1ccc(CCCN(C)C(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1OC 14020593 HMAADGSTGGSUHQ-INIZCTEOSA-N 382.460 3.434 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1CC(C)C)CCC3 16835353 KQFYPSOSJHGPHP-LBPRGKRZSA-N 391.562 3.386 30 40 GGEB COc1ccc(/C=C2\CS(=O)(=O)c3ccccc3C2=O)cc1OC(F)F 23987186 IQKVUGYMUADTCQ-XYOKQWHBSA-N 380.368 3.350 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCc3ccccc32)cc1 29257685 FMMLEPXUKLQKFV-FQEVSTJZSA-N 384.501 3.301 30 40 GGEB CCCOc1ccc(/C=N\Nc2cnnc(O)c2Br)cc1OC 31833890 XUFAUQJGZUXGLP-IUXPMGMMSA-N 381.230 3.188 30 40 GGEB COCCN1COc2c(cc3c(c2C)O/C(=C\c2ccc(OC)cc2)C3=O)C1 54333088 GDEZMNLIKORPKB-GRSHGNNSSA-N 381.428 3.418 30 40 GGEB biogenic O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1/C=N\[C@H]1C[C@H]2CC[C@H]1C2 408536558 SALCYSNNIBMGAP-PFEITDICSA-N 393.365 3.164 30 40 GGEB N#CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)N2CCCCCC2)C1=O 409200311 HWNQJWGBFWODON-LGMDPLHJSA-N 399.472 3.028 30 40 GGEB COc1ccc2nc(NC(=O)C(=O)[C@@H](C#N)c3ccc([N+](=O)[O-])cc3)sc2c1 6424513 FSYUBUCFECOFOM-ZDUSSCGKSA-N 396.384 3.028 30 40 GGEB Cn1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c2ccccc21 59514382 NTIPMYSVHSZRFC-HYARGMPZSA-N 390.495 3.010 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1 25763767 XSLLHMNBZOIEEC-QPJJXVBHSA-N 388.471 3.010 30 40 GGEB N#Cc1ccccc1-c1ccc(COC(=O)c2ccccc2OCC(N)=O)cc1 12891173 LSQULYXRACDOFT-UHFFFAOYSA-N 386.407 3.446 30 40 GGEB N#Cc1ccc(CSc2nnc(N3CCOCC3)n2Cc2ccccc2)cc1 7073140 FXRLSTYQSDFFGK-UHFFFAOYSA-N 391.500 3.327 30 40 GGEB C=CCn1c(SC[C@@H](O)COc2cccc(C)c2)nnc1-c1ccncc1 7199041 VLHGHIAVKIOIMS-KRWDZBQOSA-N 382.489 3.367 30 40 GGEB C#CCn1/c(=N/C(=O)[C@@H]2COc3ccccc3O2)sc2cccc(Cl)c21 100910435 SGXNYUNFVSQFGA-AYAKEVCGSA-N 384.844 3.257 30 40 GGEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1 102856988 YWAQCHLBXSDNLH-LFVOPCPISA-N 398.459 3.050 30 40 GGEB CC(C)c1nc(OCC(=O)NCc2ccco2)c(C#N)c2c1COC(C)(C)C2 12324850 YEJPWDUJVFTVQT-UHFFFAOYSA-N 383.448 3.216 30 40 GGEB CCOc1ccccc1CCC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 23438183 QVRAKFMEAUJGOM-UHFFFAOYSA-N 377.488 3.234 30 40 GGEB COc1cc2[nH]c3c(=O)n(/N=C/c4cccc(Cl)c4)cnc3c2cc1OC 2415944 YJZQYAPNIWYJMB-LSFURLLWSA-N 382.807 3.431 30 40 GGEB COc1cccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1 13116389 KCNVABCHNAWYPA-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB Cc1cc(C)n(-c2ccc(/C(N)=N/OCc3cc(Cl)c4c(c3)OCO4)cn2)n1 72054536 UFXGNNOPOFZRIK-UHFFFAOYSA-N 399.838 3.103 30 40 GGEB CC[C@H](C)Oc1c(OC)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409406434 JWNVLHWWYMQFIP-GTZSGAPKSA-N 398.459 3.022 30 40 GGEB CC(=O)c1sc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C#N)c1C 409060880 YWVYPFKBPXSJMS-UHFFFAOYSA-N 379.419 3.148 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@H](c2ccccc2F)/C1=C(\O)c1cccs1 102926150 RPCSRLWMDPZYSS-INYZNFKRSA-N 387.432 3.488 30 40 GGEB CCOc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCOC)c1 4541133 ZWOMEAKLWRBPDY-GOSISDBHSA-N 385.416 3.293 30 40 GGEB COC(=O)c1ccc(/C=C2\Oc3cc(O[C@H](C)C(=O)OC)ccc3C2=O)cc1 6072792 XNIHLSYCGSGGLY-HIPMGEKLSA-N 382.368 3.030 30 40 GGEB biogenic C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(C#N)cc3)cc2)C1 6085645 HLSBTOTUFNNZKJ-HZPDHXFCSA-N 397.500 3.477 30 40 GGEB C=CCOc1ccc(/C=N/N=C2/NC(=O)[C@H](Cc3cccc(OC)c3)S2)cc1 9012766 HQSAZRXGEQXHKF-KWJZBXMYSA-N 395.484 3.424 30 40 GGEB CCOc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N/N=C/c3ccccc3)S2)cc1 9088320 FODQQLQNIDUHKA-RSZPVBOMSA-N 396.472 3.036 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SC[C@H](O)c3ccccc3)nnc12 11022851 JOLYRNHJXJQFSN-KRWDZBQOSA-N 378.457 3.056 30 40 GGEB CC1CCN(S(=O)(=O)c2ccc(/N=C3\C(=O)Nc4ccccc43)cc2)CC1 12417810 ITRGSFCEDMLFPB-UHFFFAOYSA-N 383.473 3.180 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 19938290 ONEVVSGOWOHBFH-LJQANCHMSA-N 382.435 3.356 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1C 24916613 GGLBMLBROANDLB-ZDUSSCGKSA-N 379.489 3.358 30 40 GGEB C=CCN(C(=O)c1ccc(=O)n(C)n1)c1nc(-c2ccc(Cl)cc2)cs1 32994605 XKEIEPZNOVHCRT-UHFFFAOYSA-N 386.864 3.390 30 40 GGEB COc1ccc(C(=O)C2=Cc3c(cc4c(c3OC)OCO4)CCN2C)cc1OC 40309087 NFCFOZYWIBLGTQ-UHFFFAOYSA-N 397.427 3.153 30 40 GGEB biogenic C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)c(C)c1 224649652 HYYFQGRYRFKJEL-UHFFFAOYSA-N 389.473 3.480 30 40 GGEB CCc1cccc(CC)c1N1/C(=N\C(=O)C(C)C)S[C@H]2CS(=O)(=O)C[C@H]21 101317178 OJCSOSPLTTZJRK-ZUIHOSHSSA-N 394.562 3.069 30 40 GGEB N#CCCn1cc(C(=O)CN2C(=O)NC3(CCCCCC3)C2=O)c2ccccc21 4287885 MNJRDCPRIDOIHX-UHFFFAOYSA-N 392.459 3.382 30 40 GGEB N#Cc1cccc(CSc2nc3ccc(Br)cc3c(=O)n2N)c1 71768771 IZTUKOGSJVMINX-UHFFFAOYSA-N 387.262 3.037 30 40 GGEB C=CCOc1c(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)cccc1OC 408529740 JEKRWBIMRCCIKT-GDNBJRDFSA-N 391.445 3.248 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OC)[C@H](C)C2)[C@H]1c1ccc(C)cc1 33936420 WXSWVWBOGLUHQR-FMEYXAORSA-N 397.471 3.171 30 40 GGEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O 44973900 BUPRLLLXHLOXCY-CQSZACIVSA-N 399.472 3.347 30 40 GGEB COc1ccc([C@H](c2c(C)[nH]n(-c3ccccc3)c2=O)[C@@H]2C(=O)ON=C2C)cc1 198253989 QPJXQKRZYIJENL-WOJBJXKFSA-N 391.427 3.163 30 40 GGEB Cc1cnc(C)c(OC2CCN(c3ncc(Br)cc3C#N)CC2)n1 2086968232 VOALLPOBAQESCS-UHFFFAOYSA-N 388.269 3.170 30 40 GGEB CCCCc1ccc(/N=C/c2c(O)[nH]c(=O)n(-c3ccc(F)cc3)c2=O)cc1 100967371 XELKZVAEGPDUFV-YDZHTSKRSA-N 381.407 3.464 30 40 GGEB C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc(OC)c1OC 6954648 GTCNIDHVHBPCAH-GDNBJRDFSA-N 391.445 3.032 30 40 GGEB COc1ccccc1CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@]34O[C@H]4[C@H]12 100772926 DNRINTCEPXFLKL-DVXBMSRNSA-N 399.531 3.353 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)Cn3c(=O)cnc4ccccc43)c2C#N)C1 3396119 RDFYHZOQSGKYNH-GFCCVEGCSA-N 378.457 3.093 30 40 GGEB O=S(=O)(/N=C(\O)C1CCN(CC(F)(F)F)CC1)c1cccc(Cl)c1 48496629 JHDFUBKNFCSYBC-UHFFFAOYSA-N 384.807 3.260 30 40 GGEB COC(=O)/C=C1/S/C(=N\c2ccccc2)N(Cc2ccc3c(c2)OCO3)C1=O 4699819 LXUWCQKPUCAZRJ-CZZIWQEQSA-N 396.424 3.235 30 40 GGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 8754556 LZZXYLLBYMBZFP-LJQANCHMSA-N 378.413 3.242 30 40 GGEB COc1ccc2ccc(OC)c(/C=N/NS(=O)(=O)c3ccc(C)cc3)c2c1 409019368 YXEQTMXSKXMCGZ-FYJGNVAPSA-N 384.457 3.478 30 40 GGEB Cc1nn(CCNS(=O)(=O)c2ccc(C#N)cc2)c(C)c1-c1ccsc1 575615605 RFQBODLGWHPXTJ-UHFFFAOYSA-N 386.502 3.079 30 40 GGEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)C1CC(F)C1)C2 585107124 PSXAXCHGUQXSTG-CNXQINBVSA-N 380.467 3.444 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccc(F)cc1)c1c([nH]c(N3CCCCC3)nc1=O)N2 19820012 ZQGULBBCUJKLDN-QGZVFWFLSA-N 394.450 3.464 30 40 GGEB CCC(=O)OC/C(CC(=O)NCCc1ccccc1)=N\CCc1ccccc1 4536866 DFTAMAJVIKJINI-FLFQWRMESA-N 380.488 3.372 30 40 GGEB COC(=O)C(=O)C/C(=N/Nc1ncnc2ccccc12)c1ccc(Cl)cc1 6784382 SFZAHCLTNYPLQU-KQWNVCNZSA-N 382.807 3.232 30 40 GGEB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc2ccccc12 10333546 JLXQUFXPEZLGQT-NRFANRHFSA-N 386.455 3.069 30 40 GGEB COc1cccc(/C=C2\Oc3c(ccc(O)c3CN3COC[C@@H]3C)C2=O)c1OC 32501348 FGLMBVKWLNZUBS-ATDWHHCWSA-N 397.427 3.204 30 40 GGEB biogenic N#Cc1ccccc1COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 3523859 PLAIAGTZTOWITH-UHFFFAOYSA-N 384.457 3.090 30 40 GGEB C=CCOc1ccc(-c2nc3s/c(=C\c4ccc(C)cc4)c(=O)n3n2)cc1 3649244 SQEQIUHGCDEUPH-AQTBWJFISA-N 375.453 3.239 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)N2CCCC2)nnc1-c1cccc([N+](=O)[O-])c1 10481081 JZECGCADPUPGAU-CYBMUJFWSA-N 387.465 3.142 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)OCCOc2ccc(Cl)cc2)cc1 11980847 ZWSYNZLVLIKQJD-UHFFFAOYSA-N 395.864 3.040 30 40 GGEB CC(C)C(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CCCC3)CC1 20573442 WVZIVEAZBVSKKM-UHFFFAOYSA-N 378.476 3.397 30 40 GGEB C=CCn1c(Cc2csc(NC(=O)c3cccc(C#N)c3)n2)n[nH]c1=S 24831434 SVCZMUNEUBWKSF-UHFFFAOYSA-N 382.474 3.298 30 40 GGEB C[C@H](O/N=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccc(C(N)=O)cc1 25589465 GZDXILRGEYDXKT-LUKZVCJISA-N 380.231 3.470 30 40 GGEB C=CCn1c(SCc2nnc(CC)o2)nnc1[C@@H]1COc2ccccc2O1 29788575 KYCRYTSDZKRXBQ-AWEZNQCLSA-N 385.449 3.214 30 40 GGEB N#Cc1cnn2c(O)cc(CSc3nccn3-c3cccc(Cl)c3)nc12 40114284 IRHKTOTXEXJLCG-UHFFFAOYSA-N 382.836 3.438 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)sc2cccc(C)c21 100909964 FOVOTKBWVCHYIF-DQRAZIAOSA-N 396.468 3.411 30 40 GGEB COc1cccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccco2)c1 102516802 MLSFESWZALIOAE-WOOAAIBNSA-N 390.395 3.305 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2)cc1 102880066 LVHXLFJZCRSAPA-SELCWUDQSA-N 387.395 3.112 30 40 GGEB CC(=O)C1=C(c2ccc(Cl)c(Cl)c2)N(C(C)=O)n2c(C)nnc2S1 4518224 MMWFUCSSPHYYIH-UHFFFAOYSA-N 383.260 3.441 30 40 GGEB N#Cc1cc2c(=O)n3ccccc3nc2n(-c2cccc(Cl)c2Cl)c1=O 27023046 XAZQKSDTMLTGKF-UHFFFAOYSA-N 383.194 3.177 30 40 GGEB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1/N=C/c1ccco1 2359082 KNNPARRQZHDDDF-FSJBWODESA-N 388.431 3.314 30 40 GGEB COc1cc([C@@H]2NC(=S)N(N)C(C)=C2C(C)=O)ccc1OCc1ccccc1 107837498 XAKFJOMNAWXTML-FQEVSTJZSA-N 397.500 3.242 30 40 GGEB CCOc1cc(/C=N/Nc2nc(=O)[nH]nc2C)ccc1OCc1ccc(C)cc1 4422744 YZJGGGAYALFYBG-WSDLNYQXSA-N 393.447 3.205 30 40 GGEB CCn1nnnc1S[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2 8187057 WNQNWDMDBNBUFE-JTQLQIEISA-N 376.511 3.014 30 40 GGEB Cc1nnc(S)n(/N=C/c2ccccc2OCc2cccc(Cl)c2)c1=O 408815937 JVEYBQLLULYTOE-KEBDBYFISA-N 386.864 3.350 30 40 GGEB N#CC1(C#N)[C@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 218211487 KTTKEXCZMJZMOW-HZPDHXFCSA-N 387.258 3.422 30 40 GGEB CCOC(=O)c1ccc(CSc2nc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1 33325297 JNTVNRLJLTVICK-UHFFFAOYSA-N 381.413 3.371 30 40 GGEB COc1ccc(/C=C2\Oc3c(ccc(O)c3CN(C)C)C2=O)c(OC)c1OC 20611239 FVCYGJFLPNRGJI-YVLHZVERSA-N 385.416 3.096 30 40 GGEB biogenic Cc1nc(NC(=O)C2CCN(CC(F)(F)F)CC2)sc1SCC#N 53650717 VMTVFBIDPDWLSB-UHFFFAOYSA-N 378.445 3.280 30 40 GGEB C=CCn1c(Oc2ccc(C3CCCCC3)cc2)nc2c1c(=O)n(C)c(=O)n2C 1409272 UBUXXHBXGGQKCE-UHFFFAOYSA-N 394.475 3.460 30 40 GGEB Cc1ccc(C[C@H]2S/C(=N\N=C\c3ccc([N+](=O)[O-])cc3)NC2=O)cc1C 5546180 HONWEICDRPSONI-MLHZQLSASA-N 382.445 3.376 30 40 GGEB CSc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 5919155 ODMDVONARBMSGS-XMHGGMMESA-N 376.503 3.180 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(F)cc1 6787100 HENZZUHAHPAWRH-GROYHEBESA-N 388.464 3.261 30 40 GGEB CCOc1ccc(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)cc1OCC 7604985 BZVJXGBVNPYYLG-OAHLLOKOSA-N 388.464 3.372 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)C3CCCCC3)nnc12 12533438 DTTIKNXEEWJENK-UHFFFAOYSA-N 382.489 3.472 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1 12884340 SXFAFYNLVPZGPU-CYBMUJFWSA-N 397.456 3.145 30 40 GGEB N#Cc1ccccc1OCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C(F)(F)F 14165853 SBLDVYLCPKGOHX-MRXNPFEDSA-N 389.333 3.243 30 40 GGEB C=CCOc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)cc1OC 22002363 UJBOKLNEKHFABH-UHFFFAOYSA-N 388.420 3.341 30 40 GGEB CCNC(=O)N1CCc2ccc(NC(=O)[C@H](C)Oc3cccc(C#N)c3)cc21 72296700 LWAKTZOVVZYFKB-AWEZNQCLSA-N 378.432 3.056 30 40 GGEB COc1cccc(-n2c(C)cc(C(=O)[C@@H](C#N)C(=O)Nc3ccccn3)c2C)c1 103613690 RENLORSSOZTKHW-LJQANCHMSA-N 388.427 3.459 30 40 GGEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224753338 BYUUHMKMMHKEIS-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N(C)CC(=O)Nc2ccc(C3(C#N)CC3)cc2)c1 225928458 FWOMTXNTSJJBMH-UHFFFAOYSA-N 397.500 3.118 30 40 GGEB CCc1ccc([C@H]2C(C(=O)c3ccccc3)=C(C(=O)OC)N=C3N=NNN32)cc1 3634049 DLTWJVSYTSBWLL-SFHVURJKSA-N 389.415 3.157 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1Cl 4854455 BMNMIEQLKIFWJC-UHFFFAOYSA-N 385.880 3.377 30 40 GGEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1Cl 5515992 VXIILHSVWHOTKA-WCFDQUBMSA-N 393.317 3.005 30 40 GGEB CC[S@](=O)c1ccccc1C(=O)OCC(=O)Nc1ccc(C#N)c(Cl)c1 5793954 HEORAWGSWCOWNF-AREMUKBSSA-N 390.848 3.135 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C#N)cc1 8751869 VTKCDZOQDGLCKQ-UHFFFAOYSA-N 397.500 3.182 30 40 GGEB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1OCC#N 409080676 IYRQFQUPRWMCJV-VBKFSLOCSA-N 385.489 3.330 30 40 GGEB CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)CC)CC3)o2)cc1 36629189 NTZUTGHBKBFIMV-JXMROGBWSA-N 380.448 3.174 30 40 GGEB Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1 562898194 GINYHEFBORFRTG-CYBMUJFWSA-N 391.353 3.361 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC[C@H](C)N3CCOCC3)c(=O)c21 19125988 ZAXCIBCSFFNTDR-AWEZNQCLSA-N 386.521 3.018 30 40 GGEB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCN(c2ccc(C#N)cn2)CC1 32880037 DWKZDWFRKPLBPC-HNNXBMFYSA-N 393.447 3.297 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@@H]1c1ccccc1 102541813 RNHWRCDFSRXSCJ-WOOAAIBNSA-N 381.428 3.072 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102799182 TYOXNODVSHSVFH-DPGTYXLWSA-N 381.403 3.426 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)c(OC)c1 797889 NSLBUQBZBOZWPH-SFHVURJKSA-N 377.396 3.142 30 40 GGEB N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)C[C@@H](c1ccccc1)O3 23935303 BWBIBKSZOXBZAY-INIZCTEOSA-N 386.459 3.332 30 40 GGEB aggregator CN(CC(=O)NC1(C#N)CCCCC1)C1(CO)CCC(c2ccccc2)CC1 95395087 HWTCFGPQDINLAZ-UHFFFAOYSA-N 383.536 3.350 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccc(Cl)s1 35334015 JRVGEWWJPVAZOB-UHFFFAOYSA-N 383.882 3.124 30 40 GGEB COc1cc(N[C@H](C)C(=O)Nc2sccc2C#N)ccc1N1CCCC1=O 10185303 ZQVQUPHOAFHYOP-GFCCVEGCSA-N 384.461 3.194 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)Nc3cnn(Cc4ccccc4)c3)CC2)nc1 58160288 AUOSJXKKRNKZPM-UHFFFAOYSA-N 386.459 3.053 30 40 GGEB C=CCN1C(=O)NC(=O)/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 2282566 SARUIKNSACBXMB-CPNJWEJPSA-N 385.423 3.337 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59679066 WZZPPMGKQLSSGO-LICLKQGHSA-N 395.213 3.233 30 40 GGEB COc1ccc([C@@H]2c3ccc(N)cc3Oc3nc(N)c(C#N)c(N)c32)cc1OC 36559236 TYIPNWNFDYQYJX-QGZVFWFLSA-N 389.415 3.003 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(CC)cc2c1=O 3446617 ZGOALOUMZNRHEZ-UHFFFAOYSA-N 390.490 3.234 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C3CC3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5271820 LXLUPOPHDQQEKM-CMQBPOAVSA-N 392.546 3.041 30 40 GGEB CCCCNC(=O)N(O)[C@@H]1N(/N=C/c2cccnc2)C(=S)SC1(C)C 4795112 ZSWBHMSXAGLURZ-MDBUFAAASA-N 381.527 3.055 30 40 GGEB C=CCN(C(=O)c1ccc(CS(C)(=O)=O)cc1)c1nc2c(s1)CCCC2 15968931 GHMWAWSEAIHKOW-UHFFFAOYSA-N 390.530 3.399 30 40 GGEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@@](C)(c2cccc3ccccc23)C1=O 7783801 GDWUOZDKTJHKKW-QFIPXVFZSA-N 379.460 3.031 30 40 GGEB COc1ccccc1S(=O)(=O)NCC#CCOc1cccc(C(F)(F)F)c1 90610485 RGVSTQXMHSTTEC-UHFFFAOYSA-N 399.390 3.075 30 40 GGEB COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)c1 5408850 NXYOUMHUOWFJCX-LJQANCHMSA-N 390.395 3.462 30 40 GGEB C#CCn1/c(=N/C(=O)CCc2ccccc2)sc2cc3c(cc21)OCCO3 101035397 DIIMVBIPCZQJKY-DQRAZIAOSA-N 378.453 3.167 30 40 GGEB C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nnc1-c1ccco1 22748091 AHHAVVNOZPJHHP-GFCCVEGCSA-N 385.474 3.458 30 40 GGEB C=CCNC(=O)c1c(N)n(CCc2ccccc2F)c2nc3ccccc3nc12 2290885 IAJWHQLAHZOVLL-UHFFFAOYSA-N 389.434 3.464 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc(Cl)c1Cl 4986773 PKIQZFCTUFXIAH-PJCOJXEDSA-N 382.243 3.249 30 40 GGEB CO[C@H]1CCC[C@@H](C(=O)NC2(C#Cc3ccc(NC(C)=O)nc3)CCCCC2)C1 19022669 YOLIZGGYCXGYJY-UXHICEINSA-N 397.519 3.416 30 40 GGEB C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CN(C)CC4)c1ccccc1 20565858 CWIXPHAVYXXJEM-ZMOGYAJESA-N 392.488 3.268 30 40 GGEB CN(CCC#N)c1ccc(CNC[C@@H](c2cccs2)N2CCOCC2)cc1 22240014 ZHCLAHRQULKUMN-FQEVSTJZSA-N 384.549 3.261 30 40 GGEB O=C(CCn1c(=O)oc2ccccc21)NCC#Cc1cccc(C(F)(F)F)c1 24507208 IZLNDDVAQUBBLY-UHFFFAOYSA-N 388.345 3.171 30 40 GGEB CCCCNc1oc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)nc1C#N 36627620 QXANLLLIBRWFDP-UHFFFAOYSA-N 376.482 3.456 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@@](C)(c3cc(C)oc3C)C2=O)c1C 72066110 ATTYDGNIAREZDD-NRFANRHFSA-N 383.448 3.151 30 40 GGEB COc1ccc2cc(/C=C3\Cc4cc(OC)c(OC)cc4C3=O)c(=O)n(C)c2c1 85879606 KPJGNBHSOCSLAR-OQLLNIDSSA-N 391.423 3.387 30 40 GGEB biogenic N#Cc1c(CCCNc2ncnc3ccsc23)nn(-c2ccccc2)c1N 23171986 WACMBBUPJQVVMS-UHFFFAOYSA-N 375.461 3.376 30 40 GGEB Cn1c(N2CCOCC2)c(/C=N/OC(=O)c2ccc(F)cc2)c2ccccc21 1389827 WDPAIMDQTHEXQA-OEAKJJBVSA-N 381.407 3.345 30 40 GGEB O=S(=O)(/N=C(O)/C=C/c1ccc2c(c1)OCCO2)c1ccc(F)c(F)c1 48616672 JPCXZGITBNNGMJ-QHHAFSJGSA-N 381.356 3.095 30 40 GGEB CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 5488690 BAWAZAVFBKTFGI-AMHNQIPVSA-N 393.317 3.005 30 40 GGEB C[C@H](OC(=O)c1cc(Br)ccc1O)C(=O)NC1(C#N)CCCCC1 6643717 KGOLJXIOSFJCAL-NSHDSACASA-N 395.253 3.043 30 40 GGEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NCCC1=CCCCC1 7564472 DAWRXHDHFXDRGV-HNNXBMFYSA-N 383.448 3.091 30 40 GGEB COc1ccccc1/N=C/[C@@H]1C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O 408740871 IUHQMNUAODJJPV-RNDVCUHJSA-N 387.848 3.115 30 40 GGEB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(Cc2ccccc2C#N)CC1 24825896 PIQVLMYYESIPCT-HXUWFJFHSA-N 383.879 3.244 30 40 GGEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(F)cc1 218539676 ISBNIDBREBKGJB-ZOBUZTSGSA-N 379.796 3.013 30 40 GGEB C=CC[C@@H](C[C@H]1O[C@@H](OC)[C@H]2OC(C)(C)O[C@H]21)NC(=O)OCc1ccccc1 219565744 JNWPGHQHWCHXJC-XCDZQEORSA-N 391.464 3.139 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3CC)c1 225694470 OBRFJDIYZOOQTH-UHFFFAOYSA-N 390.486 3.449 30 40 GGEB C=CCOc1ccccc1CN1[C@H]2CC[C@H]1c1cnc(N3CCOCC3)nc1C2 253377654 XTADSYIFCZBXQA-RXVVDRJESA-N 392.503 3.140 30 40 GGEB N#Cc1cc(C(=O)N2CCN[C@H](c3ccc(Cl)cc3)C2)cnc1C(F)(F)F 1262636521 UWWBVRZVWFIMGN-HNNXBMFYSA-N 394.784 3.412 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@H](c2ccccc2)/C1=C(\O)c1ccc(F)cc1 102876639 LURQSPINNOIUHY-GROYHEBESA-N 375.359 3.242 30 40 GGEB COc1ccc2nc(NC(=O)C(=O)[C@H](C#N)c3ccc([N+](=O)[O-])cc3)sc2c1 1617369 FSYUBUCFECOFOM-CYBMUJFWSA-N 396.384 3.028 30 40 GGEB CC1=CC(=O)[C@@H](C(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)C(=O)O1 24496997 XDYUVESKBCVLIM-LYKUJDHUSA-N 388.269 3.118 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccccc2)/C1=C(\O)c1ccccc1 102859853 USXDVGXLSJKKBV-NHFXJNLRSA-N 387.439 3.395 30 40 GGEB CCCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2ccncc2)c1 6078120 IHWAOOBRYNOOPH-LJQANCHMSA-N 396.443 3.095 30 40 GGEB C=CCSc1nnc(NC(=O)[C@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 5938462 ZVMXYQQZGIHEJW-AWEZNQCLSA-N 388.518 3.112 30 40 GGEB C[C@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)S(=O)(=O)C1CCOCC1 89573812 NJAQFTGZPWJUHO-QGZVFWFLSA-N 397.496 3.007 30 40 GGEB Cc1ccc(O[C@H](C)/C(O)=N/S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 48536716 DULQLPBKFZGAGL-CYBMUJFWSA-N 378.406 3.157 30 40 GGEB CC(C)[C@H](Sc1nc(N)c(C#N)cc1C#N)C(=O)N1CCc2ccccc21 84408999 UPUCQVKHUIQYLA-KRWDZBQOSA-N 377.473 3.113 30 40 GGEB CCc1ccc([C@@H]2c3c(nc(Nc4ccccc4)[nH]c3=O)NC(=O)[C@H]2C#N)cc1 19961332 JYHPNWQMOBYTRO-IRXDYDNUSA-N 385.427 3.300 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccccc2)cc1 6786577 LJPAAMDCMGVRMC-SFHVURJKSA-N 387.395 3.268 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccc(Cl)cc1 102799206 YDUQOICPILWFMY-UYTDBDHRSA-N 375.808 3.310 30 40 GGEB COc1cccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)c1 102721611 HVPKZQNWJUNXJP-HVESIFNPSA-N 380.356 3.211 30 40 GGEB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N2CCCN(c3ncccc3C#N)CC2)o1 55742302 STIKINJFGCPPFO-VQIMIIECSA-N 378.476 3.341 30 40 GGEB C=CCN(C(=O)Cc1n[nH]c(=O)c2ccccc12)c1nc2c(s1)CCCC2 12801866 OSCMDHYKGODRJY-UHFFFAOYSA-N 380.473 3.020 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@H]1c1ccc(F)cc1 102873295 OGYUZKJPVRJKAY-LFVOPCPISA-N 399.418 3.211 30 40 GGEB C=CCN1C(=S)N[C@@H](c2cccc(F)c2)C(C(=O)Nc2cc(C)on2)=C1C 10354456 MQQLTLRQMGCJDF-KRWDZBQOSA-N 386.452 3.452 30 40 GGEB C=CCN1C(=O)COc2ccc(NC(=O)c3ccc(Br)o3)cc21 12292590 RQOYGZAYAQKXGK-UHFFFAOYSA-N 377.194 3.206 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 409045198 FVWRDXSNXKXGLX-ONQUBPJZSA-N 396.446 3.239 30 40 GGEB CS(=O)(=O)Cc1ccc(C(=O)N[C@H](C#N)c2cccc(C(F)(F)F)c2)cc1 505922453 HPGXJVGSQIWODP-MRXNPFEDSA-N 396.390 3.245 30 40 GGEB CCOC(=O)N1C[C@@H](C)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 31871152 UHQXUOPXEWVVTK-XRIVAGQSSA-N 379.373 3.158 30 40 GGEB CC(=O)OCC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 254578355 ZGLUWNAFPZDBGF-JQXDCQTNSA-N 388.504 3.190 30 40 GGEB CC[C@@H](C(=O)N1CCN(C2=CC(=O)CC(C)(C)C2)CC1)n1cnc2ccccc21 12148676 NLLTXYFLDIUYOV-FQEVSTJZSA-N 394.519 3.405 30 40 GGEB CN(C)C(=O)Oc1c(Cc2ccccc2)c(=O)n2c([nH]c3ccccc32)c1C#N 1608293 AIVOPYQWEOTLEL-UHFFFAOYSA-N 386.411 3.304 30 40 GGEB CCOc1ccc(NC(=O)NC(=O)COc2ccccc2C#N)cc1OCC 11399852 NBJVAFHUCVWBRT-UHFFFAOYSA-N 383.404 3.083 30 40 GGEB Cc1[nH]/c(=N\N=C\c2ccc(OS(=O)(=O)c3ccccc3)cc2)sc1C 59386973 HVHOPEJZRWIVSC-XDHOZWIPSA-N 387.486 3.396 30 40 GGEB COC(=O)CSc1nc2n(n1)[C@H](c1ccc(C)cc1)C1=C(C[C@@H](C)CC1=O)N2 22608574 HVMMHHBAODAENO-KZULUSFZSA-N 398.488 3.120 30 40 GGEB N#CCNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 2737912 SELVHXRFFBPOQZ-UHFFFAOYSA-N 385.758 3.383 30 40 GGEB N#Cc1ccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)cc1 12914061 FQSLZOHYGHRYDC-UHFFFAOYSA-N 378.457 3.237 30 40 GGEB N#Cc1ccc(N2CCC([C@@H]3CCCCCN3C(=O)C3CCOCC3)CC2)nc1 69745058 RLDYSDLPORGPAU-NRFANRHFSA-N 396.535 3.367 30 40 GGEB C[C@@H](OC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)C(=O)Nc1ccccc1C#N 8716221 XYCUUTGUXFJNIB-VXGBXAGGSA-N 395.440 3.175 30 40 GGEB N#C[C@H](Cc1ccccc1)NC(=O)c1cccc(I)c1 89829939 LKTQWFCHNPEVRH-HNNXBMFYSA-N 376.197 3.156 30 40 GGEB CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc([N+](=O)[O-])cc2)cc1 12651262 SDPFBEZJZAIWRO-KGENOOAVSA-N 385.493 3.439 30 40 GGEB C=C(C)Cn1nc(C)c(CN(CCCN2CCOCC2)Cc2cccnc2)c1C 13569067 MPHLYPZUSNUCBY-UHFFFAOYSA-N 397.567 3.196 30 40 GGEB C=CCn1c(S[C@H](C)c2nnnn2-c2ccccc2)nc2sccc2c1=O 40127277 UKAMDJRPBPMZNJ-GFCCVEGCSA-N 396.501 3.473 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302398 NCJMZROTOYPMFB-UOOAFGRTSA-N 394.562 3.458 30 40 GGEB CC(=O)N[C@H](CC(=O)OCc1cn2ccccc2c1C#N)c1ccc(C)cc1 32898904 QPKMMUMNCLSDOI-HXUWFJFHSA-N 375.428 3.430 30 40 GGEB CC(C)c1ccc(N2/C(=N\C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 101302184 VVZYWGFNBGZDDS-XSAFGROZSA-N 394.562 3.458 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@H]1CNCCc1ccc(F)cc1 12660020 MMPZDIHKVXWPMI-WFTGQSOZSA-N 387.495 3.485 30 40 GGEB biogenic O=[N+]([O-])c1ccc(/C(C[C@@H](n2cncn2)C(Cl)(Cl)Cl)=N\O)cc1 4843980 WIOPWSABOCJBPU-IPHDDYSGSA-N 378.603 3.366 30 40 GGEB COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1S/C(=N\CC(C)C)NC1=O 8491123 HYDJPLKDFUBVAF-AWEZNQCLSA-N 383.901 3.229 30 40 GGEB CCOc1cc(C#N)ccc1OCc1nc(N)nc(Nc2ccccc2C)n1 8710856 GZKZJCKBAMETGD-UHFFFAOYSA-N 376.420 3.355 30 40 GGEB Cc1nn(C/C(N)=N/OC(=O)c2ccc(Cl)cc2)c(C)c1Br 36612102 JJFJCQQISJPMAV-UHFFFAOYSA-N 385.649 3.045 30 40 GGEB C[C@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 14902878 ISDMZONRXDBWHA-HXUWFJFHSA-N 380.354 3.056 30 40 GGEB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(C#N)cc3)cs2)cc1 10252638 SMKDNUJVSIDAFT-UHFFFAOYSA-N 397.481 3.266 30 40 GGEB Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)n1 13579593 AJZHJRDWEFYKEK-UHFFFAOYSA-N 399.428 3.387 30 40 GGEB C#CCOc1cccc([C@@H]2CC(O)=Nc3c2c(C)nn3-c2ccc(OC)nn2)c1 32103711 SCCUPZUYSBMSCL-INIZCTEOSA-N 389.415 3.115 30 40 GGEB C=CCN(CC=C)CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O 23762966 MVQWOHJIFBBGFN-UHFFFAOYSA-N 389.499 3.394 30 40 GGEB COc1cc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)ccc1OC(C)=O 4754968 NKEMOJKSBAPVSL-JAIQZWGSSA-N 382.445 3.358 30 40 GGEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5O[C@@]54C(C)=O)[C@@H]3C[C@H]3O[C@@]32C1 118936533 WACCZLHLEKNLBI-SUZQDCRTSA-N 388.504 3.429 30 40 GGEB N#Cc1ccc(NC(=O)CCN2CCc3c(ncn3-c3ccc(F)cc3)C2)cc1 95469114 ZPJKDSMEPZEVRL-UHFFFAOYSA-N 389.434 3.270 30 40 GGEB Cc1nc(C(F)(F)F)ccc1NC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 562898196 GINYHEFBORFRTG-ZDUSSCGKSA-N 391.353 3.361 30 40 GGEB C=CCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225103968 XQRLUCBZBBFFCS-UHFFFAOYSA-N 379.409 3.002 30 40 GGEB COCCC/N=C/c1c(C(F)(F)F)[nH]n(-c2nc3ccccc3s2)c1=O 2268399 WAQALCKLIWPGQB-AWQFTUOYSA-N 384.383 3.250 30 40 GGEB C=CCc1cc(CN2[C@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cc(OCC)c1O 12117012 FLOPHNDMROQXBZ-LIMIJEPZSA-N 397.519 3.268 30 40 GGEB COC(=O)[C@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)cc1OC)C2=O 5961497 NDVNLUIIAXDMSP-AOPUEWEHSA-N 384.384 3.260 30 40 GGEB biogenic Cc1ccc(-c2nnn(CC(=O)Nc3sc4c(c3C#N)CCCC4)n2)cc1 924232 CCHKTAGTBZJBEU-UHFFFAOYSA-N 378.461 3.099 30 40 GGEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)cc(Cl)c1 5138775 LHHZZZKKVOOWEN-FPYSRQLISA-N 393.317 3.005 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4ccncc4)nc13)O2 5348369 UPISJVSFICWKOR-QGZVFWFLSA-N 385.383 3.311 30 40 GGEB COc1ccc(/C=N/Nc2nc(NCc3ccccc3)nc(N(C)C)n2)cc1 5719597 GDHWLIBLISAKGU-HYARGMPZSA-N 377.452 3.004 30 40 GGEB C#CC(CC)(CC)NC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1 7724414 NKKOXYJFDYMIDO-UHFFFAOYSA-N 384.929 3.292 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364669 OKIFEXYGZLJIIE-HNNXBMFYSA-N 387.443 3.142 30 40 GGEB N#C[C@H](C(=O)NCCc1ccc2c(c1)CCO2)c1nc2cc(F)ccc2s1 95453899 CXLFDBJCGPRUGS-OAHLLOKOSA-N 381.432 3.336 30 40 GGEB C#CCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)c2ccc(C#N)cc2)C=C1C 30881444 YOIRHZCSFGGKJX-FKBYEOEOSA-N 391.515 3.282 30 40 GGEB biogenic,in-vitro C=CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nc2ncccc2c1=O 31615241 OSLVIFKIMYHQIR-UHFFFAOYSA-N 396.472 3.025 30 40 GGEB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc(CC#N)cc2)cc1 226052836 KQOSZACSILZLHM-UHFFFAOYSA-N 399.516 3.401 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCC(C)CC3)c(=O)c21 12113525 RWZXNPQDDIZISD-UHFFFAOYSA-N 384.505 3.166 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@@H](O)c2ccc(-c3cccs3)s2)cc1 585147851 CHYLAXYRJGPIKO-CQSZACIVSA-N 390.511 3.360 30 40 GGEB COC(=O)COc1ccc2c(c1C)O/C(=C\c1ccc(OC)cc1OC)C2=O 6074086 PDPRCQDZPXPLCO-NVMNQCDNSA-N 384.384 3.180 30 40 GGEB biogenic CC(C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 101302512 WOKHJGHJZFGSLS-SVQNHAPJSA-N 380.535 3.067 30 40 GGEB COc1ccccc1[C@H]1C(C(=O)c2ccco2)=C(O)C(=O)N1C[C@@H]1CCCO1 795000 KDKAVGSJRVYLBF-UGSOOPFHSA-N 383.400 3.046 30 40 GGEB CCCNC(CCCN1C(=O)c2ccccc2C1=O)=C1C(=O)CC(C)(C)CC1=O 100154773 GECAXDPXBRHREC-UHFFFAOYSA-N 396.487 3.275 30 40 GGEB C#CC[C@H](NC(=O)Nc1ccc(CCN2CCOCC2)cc1)c1ccccc1 89261524 JODJKHZCAUQZST-QFIPXVFZSA-N 377.488 3.447 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32507965 LFZLWVWWMRZGKN-YTLYVFJMSA-N 394.562 3.458 30 40 GGEB C=CCN(c1cc(OC)ccc1OC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225076976 QEIRNCXDKUMDDP-UHFFFAOYSA-N 392.433 3.302 30 40 GGEB CN(C)/C=C(\C(=O)C(Cl)(Cl)Cl)c1nnnn1-c1ccc(Cl)cc1 5197538 FELCURHHOWKTFM-JXMROGBWSA-N 395.077 3.158 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)cc2OC)sc2cc(OCC)ccc21 100875913 HJOQWFAPFYDWTQ-DQRAZIAOSA-N 396.468 3.493 30 40 GGEB Cc1cccc(OCCC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)c1C 24668750 JBAMBFRRZMLDPW-UHFFFAOYSA-N 377.488 3.288 30 40 GGEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCO2)c1cccc(Cl)c1 84368015 YUWGWVHPTARRFQ-UHFFFAOYSA-N 388.228 3.458 30 40 GGEB CN(CC(=O)N(CCC#N)c1cccc(Cl)c1)Cc1ccc2c(c1)OCCO2 9962122 FEIVKAHVBRXZEW-UHFFFAOYSA-N 399.878 3.490 30 40 GGEB CC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)n[nH]2)c(C#N)c1C 409275267 SWNHXPLHHYZWNH-UHFFFAOYSA-N 387.446 3.240 30 40 GGEB CC(=O)O[C@@H]1C[C@@H]2[C@H]3CC[C@@H](C(=O)CO)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 254740670 XRXDCBIIKLNRSQ-YJTVOQOHSA-N 388.504 3.238 30 40 GGEB C=CCOc1ccc(/C=c2\sc3nc(-c4ccccc4C)nn3c2=O)cc1 2396112 LPTZPQMRACBHDF-AQTBWJFISA-N 375.453 3.239 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)N3CCCC[C@@H]3C)c(=O)c21 12113529 JPDARMQPRKKFNC-ZDUSSCGKSA-N 384.505 3.308 30 40 GGEB CCOC(=O)C/C(=N\Nc1cc(Cl)c(Cl)cc1[N+](=O)[O-])C(=O)OCC 16682240 OSJXLBSCHSRLTJ-WOJGMQOQSA-N 392.195 3.186 30 40 GGEB N#Cc1cc2c(N)c(C(=O)Nc3ccccc3Br)sc2nc1N 18227775 HYHTZTUMHQXGHX-UHFFFAOYSA-N 388.250 3.347 30 40 GGEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4c(F)cc(F)cc4s3)C[C@@H]2C1 2086868847 RMKRELDHMAXDKH-STQMWFEESA-N 383.427 3.414 30 40 GGEB CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(COC)c2C#N)cc1 6630484 NZVPHWWPPJPUEH-UHFFFAOYSA-N 399.472 3.316 30 40 GGEB N#C[C@H]1C(=O)N=C(N2CCN(c3cccc(Cl)c3)CC2)NC12CCCCCC2 10342441 UIFYGCDERRPJPN-SFHVURJKSA-N 399.926 3.181 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)c3c[nH]nc3-c3ccc(F)cc3)CC2)cc1 12530442 MNFIRMTUGWKVEW-UHFFFAOYSA-N 389.434 3.045 30 40 GGEB Cc1c(N2CCC(NC(=O)CCc3ccccc3)CC2)cc(C#N)cc1[N+](=O)[O-] 48279128 HBPDYCOQTAQNJP-UHFFFAOYSA-N 392.459 3.493 30 40 GGEB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O/N=C(\C#N)c1nc3ccccc3s1)OC2=O 100920118 BUHOCYHSLMMFBK-FHSMEVGFSA-N 383.429 3.189 30 40 GGEB CN(CCC#N)c1ccc(CNC[C@H](c2cccs2)N2CCOCC2)cc1 22240013 ZHCLAHRQULKUMN-HXUWFJFHSA-N 384.549 3.261 30 40 GGEB COc1ccc(Br)cc1CN(C)CC(=O)Nc1sccc1C#N 3540898 JMXXVPXRXMFMNH-UHFFFAOYSA-N 394.294 3.461 30 40 GGEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1cccc2ccccc12 408537552 WFCQCUADIIHXDO-YMFLFHJQSA-N 375.428 3.425 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cc(Br)ccc1F 18101393 IFCPSTOGZFPWSS-AWEZNQCLSA-N 393.216 3.198 30 40 GGEB C=CCOc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC 409404725 LVRPLUPZUCLMFE-MGBSGCIJSA-N 386.835 3.054 30 40 GGEB C#CCOc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1Br 409065148 GQOLKESMBSGRSB-VCHYOVAHSA-N 375.182 3.210 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1Cl 32634101 SHETZJNPPWXUAQ-GGNAOWBESA-N 386.926 3.132 30 40 GGEB C=CCc1ccc(O[C@H]2C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C2)c(OC)c1 42783148 RUQKAZRNIBABNR-GJZGRUSLSA-N 377.437 3.265 30 40 GGEB C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)N2CCC(C)(C3CC3)CC2)cc1 576269104 XBODBRAROMKPRT-CQSZACIVSA-N 375.494 3.416 30 40 GGEB CC(C)CNC(=O)c1csc(Nc2cccc([C@@H]3CCCN(CC#N)C3)n2)n1 585295070 ZBDOLJRJUMSADB-OAHLLOKOSA-N 398.536 3.370 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCc3nccn3C(F)F)nnc12 9114995 CSGYGZIGADIITA-UHFFFAOYSA-N 388.403 3.114 30 40 GGEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2cccnc2)s1 13692642 DDIAOLUNWUOLAW-CYBMUJFWSA-N 384.442 3.086 30 40 GGEB C=CCNC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 4723310 MFLWRROPZYFIEY-UHFFFAOYSA-N 378.881 3.146 30 40 GGEB C=CCCC(=O)N1CCC[C@@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 95998777 IDTPXXYIZZBREQ-MRXNPFEDSA-N 382.464 3.343 30 40 GGEB C#CCOc1c(Br)cc(/C=C2\S/C(=N/C)N(C)C2=O)cc1OC 408859673 YYLYPDQVTVXKHC-AFEKCPOISA-N 395.278 3.002 30 40 GGEB C=CCOc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 224467578 BMCJJFHKKYYBOX-UHFFFAOYSA-N 398.484 3.351 30 40 GGEB N#CC1(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)O2)CCCCC1 103085393 MWGONDIHDGLFRM-VKAVYKQESA-N 381.461 3.038 30 40 GGEB CCc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C)cc1 5408667 IMCJGHDRVJOYTH-IBGZPJMESA-N 381.428 3.474 30 40 GGEB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2C#N)o1 19928453 WLAFXCKAGXAYDY-UHFFFAOYSA-N 396.428 3.260 30 40 GGEB COc1ccc(C(=O)Oc2c(Br)cc(/C=N/O)cc2OC)cc1 226305953 BVQBDKREYZIOTA-GIJQJNRQSA-N 380.194 3.494 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(OC)cc1OC 797812 GXGZDSAQMISMNT-IBGZPJMESA-N 391.423 3.445 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(O)cc2)/C1=C(\O)c1ccccc1 102497580 CEWCRKXZBQEFTQ-YDJIHCHBSA-N 386.407 3.409 30 40 GGEB N#Cc1c(NC(=O)Cn2c(=O)cnc3ccccc32)sc2c1CCCCC2 3449072 PXCCLLSEZOWAAV-UHFFFAOYSA-N 378.457 3.237 30 40 GGEB COC(=O)Cn1cc(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc21 408932230 UZYHEADVZIESSH-OEAKJJBVSA-N 377.444 3.402 30 40 GGEB COC[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218117744 NJQGPLXKYRZMEI-GBESFXJTSA-N 391.876 3.445 30 40 GGEB Cc1c(C)c2ccc(OC/C(O)=N/c3nc([C@@H]4CCCO4)n[nH]3)cc2oc1=O 95473061 JTUXFSKJSNLEHB-AWEZNQCLSA-N 384.392 3.046 30 40 GGEB O=C(Cn1cnc2ccccc21)NCC#CCOc1cccc(C(F)(F)F)c1 90610448 DOMJIXIZAQNDTL-UHFFFAOYSA-N 387.361 3.254 30 40 GGEB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1OC 12913803 ABEKAYARLWAYLC-ZDUSSCGKSA-N 399.834 3.220 30 40 GGEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)c([N+](=O)[O-])c1 101021477 BORXGJMPZUXARR-UJNQXNEFSA-N 391.383 3.304 30 40 GGEB O=C(O)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1F 102859218 RRKNLPYQTAYWQJ-SELCWUDQSA-N 383.375 3.112 30 40 GGEB COc1ccccc1OCc1nc(C#N)c(NCc2ccc3c(c2)OCO3)o1 794766 OYSGRFMSENISIX-UHFFFAOYSA-N 379.372 3.475 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OC)cc1 4851974 HUDYLUGJYMPIED-UHFFFAOYSA-N 384.461 3.239 30 40 GGEB C=CCCOCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 95441477 GBJPMVGQBQXEPV-UHFFFAOYSA-N 375.347 3.125 30 40 GGEB Cc1ccc(OCC(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)c(C)c1 12858131 QTFYDGNQPPDAOK-UHFFFAOYSA-N 377.488 3.288 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@@H]2c2ccc(N(C)C)cc2)no1 9460845 JAJOVFDHBULSGV-SFHVURJKSA-N 393.399 3.425 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1cccs1 5576852 CTBVLUUKYPPXKB-IBOXJLQUSA-N 390.892 3.385 30 40 GGEB CNC(=O)c1ccc(Cl)c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1 97543709 HAMVTCAMYGGYTQ-UHFFFAOYSA-N 377.231 3.275 30 40 GGEB Cc1cc(N(CCC#N)C(=O)Cn2cnc3ccccc3c2=O)ccc1Cl 31681482 SHPVUHQUDPJAFK-UHFFFAOYSA-N 380.835 3.305 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(OC)cc2)cc1)S(C)(=O)=O 44845531 YQRNQTJCHBDAOG-HNNXBMFYSA-N 388.489 3.138 30 40 GGEB CN(c1ccc(C(=O)Nc2ccc(CC#N)cc2)c(Cl)c1)S(C)(=O)=O 222512607 FFPWOWXMILHBCO-UHFFFAOYSA-N 377.853 3.054 30 40 GGEB COc1cc(COc2ccc(/C=C/C(=O)ON3C(=O)CCC3=O)cc2)ccc1C 97942978 RWSJMIVDWQJTJY-KPKJPENVSA-N 395.411 3.203 30 40 GGEB CCOCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 85409679 HEADUNHYPFJNQC-LJQANCHMSA-N 380.444 3.395 30 40 GGEB COC(=O)c1ccc(SCC/C(CN2C(=O)c3ccccc3C2=O)=N/O)cc1 104210232 MRWUVRKFROOQHI-STZFKDTASA-N 398.440 3.082 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)n1 8193447 SLUADHLYFGDKHX-CQSZACIVSA-N 383.473 3.311 30 40 GGEB N#C[C@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252514992 FRORVPDHKOKWRN-INMHGKMJSA-N 379.796 3.013 30 40 GGEB CC(=O)O[C@@H]1C[C@H]2[C@@H](CC[C@]3(C)[C@@H]2CC[C@@]3(O)C(C)=O)[C@@]2(C)CCC(=O)C=C12 257350465 XQVPPASTQTXMTK-SRKPMQQJSA-N 388.504 3.380 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C)c(OC)c1 102802201 IJHHDAHYUDWAKV-GROYHEBESA-N 387.819 3.409 30 40 GGEB COC(=O)c1c(COC(=O)COc2ccccc2C#N)nc2ccccc2c1C 6991534 OUXIFGYXJMRHQE-UHFFFAOYSA-N 390.395 3.324 30 40 GGEB Cc1ccc(-n2nnnc2SCC(=O)N(CCC#N)c2ccccc2)cc1 3221282 CZHMSLCGCUKWLA-UHFFFAOYSA-N 378.461 3.010 30 40 GGEB Cc1ccccc1NC(=O)COc1ccc(/C=N/N2C(=O)CSC2=S)cc1 409341828 ADSXSKZZAWZMHJ-KEBDBYFISA-N 399.497 3.207 30 40 GGEB NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1/N=C/c1ccc(Cl)cc1Cl 13725496 QOVXIRNLTZZMIF-GZIVZEMBSA-N 386.242 3.416 30 40 GGEB N#Cc1cc(C(=O)c2cc(F)ccc2O)cn(-c2cccc3ncccc23)c1=O 14157783 VZNZAFBRSZWEKI-UHFFFAOYSA-N 385.354 3.333 30 40 GGEB O=c1c2[nH]c3ccccc3c2ncn1/N=C/c1cc(Br)ccc1O 4843939 SFZCXEIEGJIREB-DNTJNYDQSA-N 383.205 3.228 30 40 GGEB C=CCSc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3C)C2)s1 16008062 QCXBEKAVZQCLRM-ZDUSSCGKSA-N 388.518 3.425 30 40 GGEB CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218496844 SXPRGNDNAPWAEL-LNLFQRSKSA-N 389.860 3.437 30 40 GGEB CCCCCOc1ccc(CN2C(=O)/C(=N\NC(N)=S)c3ccccc32)cc1 46085083 OPVHRNAJEAETAR-NMWGTECJSA-N 396.516 3.340 30 40 GGEB COP(=O)(OC)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 17044517 AERFIKUZZQYUPT-MSUUIHNZSA-N 382.378 3.121 30 40 GGEB O=C(Nc1ccccc1C#Cc1ccccc1)N1CCC[C@H](c2nc(O)n[nH]2)C1 1562462998 HFEXQHNQTKQVNU-SFHVURJKSA-N 387.443 3.322 30 40 GGEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sccc2C#N)cc1 2692881 QSLJALGNYRQLHF-UHFFFAOYSA-N 387.486 3.235 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cccc(OC)c21 100910175 FPFDUZNOXRRILL-DQRAZIAOSA-N 390.420 3.192 30 40 GGEB N#CC1(C(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)CCCC1 52738376 PFNKREYICDBAFY-UHFFFAOYSA-N 381.885 3.147 30 40 GGEB CCOC(=O)/C(C(C)=O)=C1\N=C(NC(=O)c2cccc(C)c2)c2ccccc21 1889183 FKDYJZJLZLEJBO-HNENSFHCSA-N 376.412 3.048 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc([C@H](C#N)C(=O)c2ccc(C)c(C)c2)nc1 58157922 XJXVDRUDHLVFDV-SFHVURJKSA-N 385.489 3.219 30 40 GGEB COc1cc(-n2c(N)c(C#N)c3nc4ccccc4nc32)cc(OC)c1OC 2275636 IWTCNEWEAUELDX-UHFFFAOYSA-N 375.388 3.053 30 40 GGEB CN(C)c1ccc(/C=c2/sc3c(C#N)cc(C(=O)c4ccccc4)n3c2=O)cc1 3444627 PGHFRBQLGUBAMI-UDWIEESQSA-N 399.475 3.077 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nc1C 13987470 OEGMZGBPRRWKEK-BETUJISGSA-N 375.494 3.035 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)N[C@](C)(C#N)C(C)C)nc2ccsc2c1=O 14019089 XMEUXFMEVOKBPY-KZULUSFZSA-N 390.534 3.179 30 40 GGEB CCOc1ccc(Cl)c(/C(O)=N/S(=O)(=O)c2ccc3c(c2)CCC3)n1 66004050 KRCCQZQMLFXOJX-UHFFFAOYSA-N 380.853 3.316 30 40 GGEB C=CCNC(=S)NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2 15986515 NUZZMJQJQOBWSI-UHFFFAOYSA-N 395.532 3.172 30 40 GGEB C[C@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 69283905 HLABNNOUSJALQF-UWVGGRQHSA-N 382.265 3.223 30 40 GGEB N#Cc1cccc(OCc2ccoc2C(=O)NCc2cn(-c3ccccc3)nn2)c1 95410175 WNTNTNFOUNWAOE-UHFFFAOYSA-N 399.410 3.241 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@H]1C=Nc1ccc(F)cc1 408534166 LOVLSBYBNKUZFJ-AWEZNQCLSA-N 393.296 3.446 30 40 GGEB COc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)OC(C)C 408600226 ALAWJGOQHMYJNK-JAIQZWGSSA-N 387.392 3.380 30 40 GGEB Cc1ccc(CN2CCCC[C@@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)nc1 585294574 RYOKGYPXAAVIPP-OAQYLSRUSA-N 385.475 3.339 30 40 GGEB C[C@@H]1CCc2c(sc(NC(=O)CS(=O)(=O)c3ccc(F)cc3)c2C#N)C1 5190274 CCUKDGHFNXHKNL-LLVKDONJSA-N 392.477 3.296 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/Nc2ncc(F)c(N3CCOCC3)n2)o1 21345405 SDJUEUBWAOUBRW-WYMPLXKRSA-N 392.394 3.030 30 40 GGEB C=CCOc1ccc(CN(C)Cc2nc(O)c3ccc(C(=O)OC)cc3n2)cc1 21921610 KAWHCZMXNQGBBF-UHFFFAOYSA-N 393.443 3.319 30 40 GGEB C=CCOc1ccc(C(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)cc1 4183469 YJCMAVAYDZUHAO-MRXNPFEDSA-N 391.514 3.142 30 40 GGEB N#CC1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 218175719 ZSZPXENVZHHLPU-IAGOWNOFSA-N 386.816 3.042 30 40 GGEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(CC)cccc1CC 32508033 FUKUZZQDQMNHOR-VHJGWARJSA-N 394.562 3.213 30 40 GGEB COc1ccc(NC(=O)[C@](C)(C#N)c2ccccc2)cc1C(=O)N1CCCC1 225960757 ZCVJNYJWXVUYID-JOCHJYFZSA-N 377.444 3.351 30 40 GGEB C=CCN(c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1)S(C)(=O)=O 224911090 GQYJGOOFMQKNFV-UHFFFAOYSA-N 399.516 3.491 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)s2)cc1 826782654 YLRJFRJQTQHVST-HNNXBMFYSA-N 390.511 3.360 30 40 GGEB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C#N)c1C 5952360 NYEKCYJXBMZRQG-STQMWFEESA-N 389.477 3.016 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2C[C@H](C)O)cc1 18120538 AVHHGEOUXVWJLN-MGPUTAFESA-N 395.455 3.353 30 40 GGEB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1F)c1nc(C#N)c(C#N)nc12 4727514 SNRYUDSNEJQOQQ-LEWJYISDSA-N 375.407 3.327 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1F 20024161 FAEFBKHSLHEKGV-LJQANCHMSA-N 382.435 3.356 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(C(=O)/C=C/c2cccc3c2OCO3)cc1 40139703 NSQHBSJZXFENJR-JLHYYAGUSA-N 387.457 3.342 30 40 GGEB C=CCn1c(N)nnc1SCc1nnc(-c2ccccc2C(F)(F)F)o1 31853929 ACOTVEIUVYPVOJ-UHFFFAOYSA-N 382.371 3.407 30 40 GGEB Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H]1CCCc2ccccc21 25109084 GAZYLPKWYSNVRJ-SFHVURJKSA-N 387.487 3.387 30 40 GGEB COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC 3218528 ZQGCGBPKJBHZDK-GOSISDBHSA-N 388.464 3.394 30 40 GGEB O=C(/C=C/c1cc2ccccc2[nH]c1=O)c1ccc(N2CCOCC2)c(F)c1 27542904 LMXYHYLQNZZIER-SOFGYWHQSA-N 378.403 3.400 30 40 GGEB C#CCNC(=O)[C@H]1CCC(=O)N(c2ccc(C)cc2)[C@H]1c1ccccc1OC 37085013 HXUCLQGECIVVRS-UGKGYDQZSA-N 376.456 3.237 30 40 GGEB C=CCn1c(C)c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cc(C)ccc21 409036571 LQSJQCKRTBDPSS-ODLFYWEKSA-N 391.496 3.038 30 40 GGEB C=CCOC(=O)C1=C(C)Nc2nc(SCC=C)[nH]c(=O)c2[C@H]1c1cccnc1 4292297 VEROYPRWQRXVFT-HNNXBMFYSA-N 396.472 3.004 30 40 GGEB N#Cc1ccc(C(=O)OCC(=O)Nc2ccc(Br)cc2F)c(F)c1 409216629 MTSWYCYIZAIKGP-UHFFFAOYSA-N 395.159 3.394 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 408803773 AHTDHZYSZWXPDJ-GZTJUZNOSA-N 380.787 3.018 30 40 GGEB Cc1ccc2cc(C#N)c(NCCCNS(=O)(=O)c3ccc(F)cc3)nc2c1 35315463 SESKNDJHUBNSRD-UHFFFAOYSA-N 398.463 3.335 30 40 GGEB CCOc1ccc(-c2c(C#N)c(N)n(-c3ccc(OC)cc3)c(=O)c2C#N)cc1 96136972 MXLRVKSKJJUYKK-UHFFFAOYSA-N 386.411 3.237 30 40 GGEB N#CCN1CCC(c2cccc(Nc3nc(C(=O)N4CCCC4)cs3)n2)CC1 585294971 WSPJKTBJFLOHLV-UHFFFAOYSA-N 396.520 3.221 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)Nc2sccc2C#N)cc1 6881576 WVIPAUXWFSJSTR-MRXNPFEDSA-N 389.502 3.110 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(=O)c3ccccc3o2)sc2cc(F)ccc21 100875393 UYLIUXBZKVYJKO-XDOYNYLZSA-N 378.384 3.323 30 40 GGEB C=CCOc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(=O)OC)cc1 40069747 OVXTUHPLUGSXHD-UHFFFAOYSA-N 396.443 3.127 30 40 GGEB O=C(/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)C1CCCCC1 102442790 QIWYPYBVRVDVPS-VFAFWLKOSA-N 396.509 3.007 30 40 GGEB COc1ccc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C#N)[nH]c2c1 4274633 MKYKDGQJQBSZGT-UHFFFAOYSA-N 383.389 3.082 30 40 GGEB C=CCN(C(=O)c1nn(C)c(=O)c2ccccc12)c1nc2c(s1)CCCC2 5511178 ZTCSISGKLWKLKL-UHFFFAOYSA-N 380.473 3.102 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccccc1C#N 8519646 NVMXZICRQDTJMZ-UHFFFAOYSA-N 380.473 3.182 30 40 GGEB Cc1ccc(-n2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 8694298 KSZAHDDHXASOEP-UHFFFAOYSA-N 378.867 3.427 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](C)N(c2cccc(C)c2)S(C)(=O)=O)c1 220136610 NNMFKHGGJYIWSD-MRXNPFEDSA-N 388.489 3.353 30 40 GGEB COc1ccc(C(=O)[C@@H](CCC(=O)/C=C/c2ccccc2)S(C)(=O)=O)cc1 1582515 PCXUKZBEDIBADR-OJLWIZQOSA-N 386.469 3.354 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C(=O)NC1=S 208441391 XTSKKQVJZYXNLI-WJDWOHSUSA-N 381.501 3.131 30 40 GGEB Cc1ccc(C(=O)N2CCC[C@@]3(COCCN(c4cccc(C#N)c4)C3)C2)cn1 1147163543 YCKHZCMTJRUZHZ-QHCPKHFHSA-N 390.487 3.021 30 40 GGEB C#C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(C)cc1Br 8254616 IGCXCTNBCOLBCF-SOUVJXGZSA-N 392.366 3.388 30 40 GGEB biogenic,in-vitro C=CCN(Cc1ccc(OC)cc1)C(=O)CCc1nc2ccccc2c(=O)[nH]1 55891030 YBGVRABSERSLNB-UHFFFAOYSA-N 377.444 3.079 30 40 GGEB N/C(=N/OCC(=O)Nc1ccc(F)c(F)c1)c1cccnc1Oc1ccccc1 58014393 XSNYYJJUAWVVSM-UHFFFAOYSA-N 398.369 3.428 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 36184138 KIVMCKZYHSDBLL-SFHVURJKSA-N 384.233 3.288 30 40 GGEB O=S(=O)(N/N=C/c1c(F)cccc1F)c1ccc(Br)cc1 2631827 HKRHSECLYFISKD-CAOOACKPSA-N 375.194 3.040 30 40 GGEB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1 13038811 CVGUVWAJTKSHFE-UHFFFAOYSA-N 385.489 3.498 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 95980238 JFDJCSWPCJSYQD-HNNXBMFYSA-N 390.447 3.266 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 409141112 ITNBAKQKPBCEGO-SDNWHVSQSA-N 378.270 3.374 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccsc1 4742181 XQRURRVDYROTDP-VEVIJQCQSA-N 385.441 3.135 30 40 GGEB Cc1ccc(S(=O)(=O)[C@@H]2[C@H](c3cccc(Cl)c3)[C@]2(C#N)C(=O)O)cc1 252516088 QAPGDBRNYPOZDN-JZXOWHBKSA-N 375.833 3.183 30 40 GGEB CCn1c(Cc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@H](CCCN2C2CC2)C1 1121762198 JQDTWZJHDZICSE-TZIWHRDSSA-N 390.535 3.214 30 40 GGEB N#Cc1ccnc(OC[C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)c1 1775972808 WSZSWSAKQGTONQ-HNNXBMFYSA-N 378.457 3.494 30 40 GGEB N#Cc1cccc(C(=O)N2[C@H]3CC[C@H]2CC(S(=O)(=O)c2ccccc2)C3)c1 101323124 XMAPQZBMYBIWSJ-ROUUACIJSA-N 380.469 3.168 30 40 GGEB CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N/NC(N)=S 100118782 KCQWEMJSGSNCTJ-BQNPTPDXSA-N 378.501 3.059 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(=O)O)[C@@H]2c2ccc(Cl)cc2)cc1 102864795 XROWCUJENMPITD-GROYHEBESA-N 385.803 3.155 30 40 GGEB O=C(O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@H]5C=C[C@H](CC5)[C@H]4C3=O)o2)c1 2933256 YWXAEKYBZLFIKF-FMJMANMHSA-N 390.395 3.176 30 40 GGEB O[C@@]1(c2ccccc2F)CS/C(=N/c2cccnc2)N1CCCn1ccnc1 13161628 FDVGSKSEGWLXPE-FIPQWBAWSA-N 397.479 3.389 30 40 GGEB CNC(=S)N/N=C/c1cc(Cl)c(OCCOc2ccccc2)c(OC)c1 4207664 ZLKQPOIVCPUZHN-CIAFOILYSA-N 393.896 3.234 30 40 GGEB C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccc(C#N)c1 14245460 YVFLIMLAGJHTLP-SNVBAGLBSA-N 398.271 3.171 30 40 GGEB C=CCn1c(N)c(C(=O)NCc2ccccc2OC)c2nc3ccccc3nc21 5429310 ZBANOKGLXMTJDQ-UHFFFAOYSA-N 387.443 3.291 30 40 GGEB CCCN1C(C(=O)c2ccccc2)=C(OC(C)=O)c2ccccc2S1(=O)=O 6764460 ACZLWUAERHELQF-UHFFFAOYSA-N 385.441 3.216 30 40 GGEB Cc1cc(C)cc(OCC(=O)O/N=C(\N)c2ccc(Br)cc2)c1 4899292 YFPPYKFHXMJKPD-UHFFFAOYSA-N 377.238 3.308 30 40 GGEB CC[C@H]1C2=C(CC(C)(C)CC2=O)Nc2ccccc2N1CC(=O)N1CCOCC1 9483275 SLRDLNYTTSQVFI-SFHVURJKSA-N 397.519 3.199 30 40 GGEB N#CC1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 218211414 KTTKEXCZMJZMOW-HOTGVXAUSA-N 387.258 3.422 30 40 GGEB CCOC(=O)CN(c1ccc(CC#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 224710373 HTFDFTWLERQGCH-UHFFFAOYSA-N 392.864 3.164 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 7190154 JLODNFXWDOACKI-ZDUSSCGKSA-N 391.928 3.304 30 40 GGEB COc1ccccc1/C=C/C(=O)c1cc(OC)c(OC)cc1CCNC(C)=O 4042037 PSSLXUWIXWNUIT-MDZDMXLPSA-N 383.444 3.287 30 40 GGEB biogenic C=CCN(CC=C)C(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 8753439 KXMNAPULTYWOFX-UHFFFAOYSA-N 383.452 3.247 30 40 GGEB CN1/C(=C\C(=O)COC(=O)c2ccc3c(c2)OCCO3)C(C)(C)c2ccccc21 12660174 LDQYWNOHPYBIRE-BKUYFWCQSA-N 393.439 3.495 30 40 GGEB COc1ccc(CN2CCN(C(=O)/C=C/c3ccc(C#N)cc3)CC2)cc1F 13006092 NYJQANDPLUEURR-VQHVLOKHSA-N 379.435 3.064 30 40 GGEB COc1ccc(C(=O)/C=C/c2ccc(NC(C)=O)cc2)cc1CN1CCOCC1 23761915 YBPYASRXWPPYLA-WEVVVXLNSA-N 394.471 3.382 30 40 GGEB COc1ccc(OC)c(N2C[C@H](C(=O)Nc3sc(C)c(C)c3C#N)CC2=O)c1 32796452 IXNGQKIWBRUZNO-CYBMUJFWSA-N 399.472 3.245 30 40 GGEB Cc1cc(C)n2nc(CCCNC(=O)c3ccc4ccccc4n3)c(C#N)c2n1 40088494 BAHJXSJMSTXEMF-UHFFFAOYSA-N 384.443 3.129 30 40 GGEB N#Cc1cnn2c(O)cc(CSc3nc(C4CC4)n(-c4ccccc4)n3)nc12 40114224 VYRXBHRMILWNTL-UHFFFAOYSA-N 389.444 3.057 30 40 GGEB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)N(C)CCC#N 69950908 IKLHEBDFRDHDRE-UHFFFAOYSA-N 385.295 3.016 30 40 GGEB N#Cc1ccc(COCC2CCN(CC(=O)NCCc3ccccc3)CC2)cc1 77191674 SMRXFOYPVARYTE-UHFFFAOYSA-N 391.515 3.146 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2C[C@H]2CCCO2)cc1 102799274 GASNEIZRCURDTR-JXQDGVRSSA-N 393.439 3.296 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2F)/C1=C(\O)c1cccs1 102926158 RPCSRLWMDPZYSS-GFNKQVDRSA-N 387.432 3.488 30 40 GGEB COc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(F)cc1 408601108 ILIGBWBLMVCEBS-UHFFFAOYSA-N 379.185 3.486 30 40 GGEB C=CCNC(=O)CN(Cc1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1 409067487 YGPNZJFTPHRVBO-UHFFFAOYSA-N 392.908 3.142 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cccc(OC(F)F)c1 6485870 OTUWWSPPQXUXKW-UHFFFAOYSA-N 396.371 3.337 30 40 GGEB C=CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(OC)cc1 10537101 GRQBGCXIKLPUMV-UHFFFAOYSA-N 399.472 3.431 30 40 GGEB O=C1C[C@@H](c2ccc(Cl)cc2)N2N=C(/N=C(\O)Cc3ccccc3)NC2=N1 2414100 NSWSLKAJUBAAJK-HNNXBMFYSA-N 381.823 3.043 30 40 GGEB COc1ccc2c(CC(=O)OCC(=O)Nc3oc(C)c(C)c3C#N)coc2c1 11739687 GWBGFRQCGOQNCX-UHFFFAOYSA-N 382.372 3.247 30 40 GGEB COCCCNCc1cn(CCC#N)nc1-c1ccc(Br)cc1 14095768 TVESYSXZLOAGGV-UHFFFAOYSA-N 377.286 3.352 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NCc3ccccn3)c(=O)oc2c1 6672619 ZYMMQBGNEPSZDO-UHFFFAOYSA-N 378.428 3.310 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1 7190155 JLODNFXWDOACKI-CYBMUJFWSA-N 391.928 3.304 30 40 GGEB O=c1c(/C=N/CCCO)c(-c2ccccc2)[nH]n1-c1nc2ccccc2s1 18123306 BZUNBFKGDKCZLT-FYJGNVAPSA-N 378.457 3.244 30 40 GGEB C[C@@H](NC(=O)COCC(=O)Nc1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2 199409848 GOLSXOGREGBVBN-MBAYWBQQSA-N 395.503 3.234 30 40 GGEB CCc1cccc(CC)c1NC(=O)[C@H](C)Sc1nc(CC)c(C#N)c(=O)[nH]1 5239031 ZLUBMMRFSQQFOU-LBPRGKRZSA-N 384.505 3.448 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)c3ccc(C)nc3)CCCCC2)cn1 12144133 XCZDUZDTSFBRPC-UHFFFAOYSA-N 376.460 3.228 30 40 GGEB NC(=O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)c([N+](=O)[O-])c1 107878144 WLCKWEBVGKVMNR-UHFFFAOYSA-N 396.190 3.244 30 40 GGEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OC)c(OC)c1 2069392 PTEHMBXCAAUDFQ-HXUWFJFHSA-N 383.444 3.401 30 40 GGEB C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)N(CCC#N)c1ccccc1 39501902 NOGPOYWBAQCEDA-QGZVFWFLSA-N 392.455 3.433 30 40 GGEB N#CCn1c(CNc2ccc3c(c2)OCO3)nc2sc3c(c2c1=O)CCCC3 7221345 ZSANXGVIYKCONE-UHFFFAOYSA-N 394.456 3.201 30 40 GGEB N#C[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15989753 JSURUBARJYFZKZ-YDZRNGNQSA-N 375.815 3.379 30 40 GGEB COC(=O)c1c(CC(=O)Nc2ccccc2SCCC#N)[nH]c(C(C)=O)c1C 95953523 YYZQOHAYEGTUKB-UHFFFAOYSA-N 399.472 3.499 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(C)cc2)[C@@H]1c1cccc(F)c1 218371084 JTSSQVGGACJVGT-BJLQDIEVSA-N 387.432 3.147 30 40 GGEB N#Cc1cc(Oc2ccc(NC(=O)NCCOC[C@H]3CCCO3)cc2)ccn1 571095735 AUNUUXLNZQDINE-LJQANCHMSA-N 382.420 3.063 30 40 GGEB CN(C)/C=C(\C(=O)c1ccc(C(F)(F)F)cc1)c1nnnn1-c1ccccc1 12366751 BTVKUBZFIAFZNZ-FOWTUZBSSA-N 387.365 3.467 30 40 GGEB CSc1nc(C)nc(N/C=C(/C(=O)c2cccs2)C(=O)C(F)(F)F)n1 100381341 XCZVALBXVNFVAX-VURMDHGXSA-N 388.396 3.274 30 40 GGEB Cc1c(NC(=O)[C@@H](C)OC(=O)CCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] 28496423 QIXYOEBHFFWAES-CQSZACIVSA-N 381.388 3.278 30 40 GGEB COc1ccc2nc(C(=O)O[C@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 32868698 YHELVMAJWJLELP-CYBMUJFWSA-N 375.384 3.299 30 40 GGEB COCC/N=c1/scc(C)n1/N=C/c1cc(Br)ccc1OC 103457279 YWQQQHRYDGYYND-KCJAQINJSA-N 384.299 3.058 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccncc1 778529 VVQVUUSEYQMTEY-UHFFFAOYSA-N 394.504 3.323 30 40 GGEB COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C 4400046 OSQOZSCCROVIBB-UHFFFAOYSA-N 393.538 3.329 30 40 GGEB C=CCOc1ccc(C(=O)N2CCc3c(sc4ncnc(N)c34)C2)cc1OC 12562617 PBYLSUOAHQHBCZ-UHFFFAOYSA-N 396.472 3.045 30 40 GGEB C=CCN(Cc1ccc(OC)cc1)C(=O)CCn1cnc2ccccc2c1=O 55891502 BYEGTFRGSSCOQV-UHFFFAOYSA-N 377.444 3.010 30 40 GGEB CCCCc1nc(N2CCN(C(=O)CC)CC2)c(C#N)c2c1COC(C)(C)C2 13511961 NTWFUVPGXVSDPW-UHFFFAOYSA-N 384.524 3.206 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)N1CC(OCc2cccc3ccccc23)C1 72308927 VUUWCSVLUNXROH-UZUQRXQVSA-N 379.504 3.484 30 40 GGEB C=CCc1cc(C(=O)NCc2ccc(CN3CCOCC3)cc2)ccc1OC 224563427 RCLQPCXQQNKFAD-UHFFFAOYSA-N 380.488 3.186 30 40 GGEB CC(=O)c1ccc(N2C(=O)[C@@](O)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 2389769 IZFRHVGXLVTGBH-GOSISDBHSA-N 381.350 3.172 30 40 GGEB C#CCn1/c(=N/C(=O)c2cccc(S(C)(=O)=O)c2)sc2cc(CC)ccc21 101041932 HPZAUYRCPQEUPI-MRCUWXFGSA-N 398.509 3.043 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@@H]2c2cccnc2)cc1 102533818 LWOVYPCMYOWSJI-LFVOPCPISA-N 390.395 3.305 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2cccs2)/C1=C(\O)c1ccccc1 102877469 CPEHGWGALIZBBU-GHNGSUTGSA-N 393.468 3.457 30 40 GGEB C=CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)NC1=S 981248 WGDBCZTWBIVNND-XNTDXEJSSA-N 385.876 3.252 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(C#N)n(C)c1C 2624835 FIDIVTQVQLCYJF-LJQANCHMSA-N 381.476 3.372 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1 4311305 IVUNTGRYZAUMEI-YDJIHCHBSA-N 378.472 3.368 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)Nc1ccccc1C#N 7672302 AZNJVUZVWMTMPG-CQSZACIVSA-N 388.383 3.306 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2cccs2)cc1 17112285 HVSOPCYPHRJMLA-INIZCTEOSA-N 393.424 3.330 30 40 GGEB CCCCOc1ccc(NC(=O)CSc2nc(N)c(C#N)cc2C#N)cc1 19809381 NWOLPRWVYVDVTA-UHFFFAOYSA-N 381.461 3.317 30 40 GGEB COc1ccc(/C=C2\Oc3c(cc(CN4CCN(C)CC4)c(O)c3C)C2=O)cc1 22854528 SRLSJBMNFKOJHL-NDENLUEZSA-N 394.471 3.073 30 40 GGEB Cc1ccc2cc(C#N)c(NCCNS(=O)(=O)c3ccc(F)cc3)nc2c1C 35291920 CLZOYILUMUBNGB-UHFFFAOYSA-N 398.463 3.253 30 40 GGEB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CCOc2ccccc2C#N)C1=O 47354304 BRYPUFOZPDIMFC-OAQYLSRUSA-N 375.384 3.150 30 40 GGEB O=S(=O)(/N=C(\O)C1(c2ccc(F)cc2)CCC1)c1ccc2c(c1)OCCO2 48461853 DPOYVNVHZHLHGR-UHFFFAOYSA-N 391.420 3.364 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N[C@@H]2c2ccc(Br)cc2)cc1 102856627 IIEGHHBAEKSZIT-DPEHCCBOSA-N 388.217 3.167 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccnc1 102876337 FNMAYXXNSVPMMM-NHFXJNLRSA-N 393.487 3.235 30 40 GGEB CC[C@H](C)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 245229152 OOTWNSREWGCKNL-LORMMKHESA-N 394.562 3.458 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1/C=N/[C@H]1C[C@H]2CC[C@H]1C2 408536557 SALCYSNNIBMGAP-PCTYRBRLSA-N 393.365 3.164 30 40 GGEB C=C[C@]1(C)[C@H](C(C)(C)C(=O)O)C[C@H](O)[C@]2(C)OC3=C(C[C@@H]21)C(=O)C[C@H](C)O3 514288250 YEXGHUFFSUBLPG-KDOXWVHGSA-N 378.465 3.055 30 40 GGEB biogenic,in-vitro Cc1nc2c(n1CCO)CC[C@@H](Nc1c(C#N)cnc3c(Cl)cccc13)C2 601184530 MNEMTYLSQSLABN-CQSZACIVSA-N 381.867 3.227 30 40 GGEB C=CCn1c([C@@H](C)c2ccccn2)nnc1N1CCN(Cc2cccs2)CC1 1121660748 WFEWUZBTYLFSLB-KRWDZBQOSA-N 394.548 3.395 30 40 GGEB C=C(C)CN(CC)C(=O)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 3300217 BZLTYZZAOUQPPI-JOCHJYFZSA-N 379.460 3.031 30 40 GGEB N#Cc1c(N)n(CCNC(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc12 2302090 AGXDXCWTJSXTLG-UHFFFAOYSA-N 390.834 3.122 30 40 GGEB C[C@H]1C[C@H]2[C@@H]3CC[C@@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 118931937 AQKQDPGSWSFRHL-ZFBRXEBUSA-N 378.484 3.005 30 40 GGEB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)cc1 3535262 MEFNEFDYFFMXQJ-QHCPKHFHSA-N 392.455 3.437 30 40 GGEB COc1ccc(C)cc1/N=C\c1ccc(OCC(=O)NC[C@@H]2CCCO2)cc1 408803427 OSLSRCIKZLWBES-VFOSSOBBSA-N 382.460 3.428 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cnn(CC)c1 36631367 DCLARJDIUPEDAD-UHFFFAOYSA-N 382.493 3.387 30 40 GGEB CN1C/C(=C/c2ccccc2[N+](=O)[O-])C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C1 31860731 BHUSMMHAJOOVIE-APGQMXJTSA-N 379.372 3.485 30 40 GGEB COc1cc(/C=N\O)cc(I)c1OCc1cccnc1 226321570 DLIAHUACBMWDHL-IUXPMGMMSA-N 384.173 3.082 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)c1ccc(F)cc1 3326146 ZOUZSPQCSQEIHD-UHFFFAOYSA-N 388.782 3.496 30 40 GGEB COc1ccc(/C=C/C(=O)c2c3c(c(OC)c4c2OCO4)CN(C)CC3)cc1 20112779 KPPIIFHTHBRKDR-RMKNXTFCSA-N 381.428 3.317 30 40 GGEB biogenic N#C[C@H](C(=O)NC1CCCC1)C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 101009739 ZQEPVEFIRRZSKS-ZDUSSCGKSA-N 392.337 3.137 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@H](c1ccccc1[N+](=O)[O-])C(C#N)C#N 101164022 WZICCNNVCGEKOT-UXHICEINSA-N 387.399 3.376 30 40 GGEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302500 WOKHJGHJZFGSLS-WMEZAZGNSA-N 380.535 3.067 30 40 GGEB N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CCCCC2 102445324 VZTRLLOOMSUAFA-GASCZTMLSA-N 399.516 3.392 30 40 GGEB Cc1nc(NC(=S)NC(=O)c2ccc(C#N)cc2F)ccc1Br 6389806 PVECFKZWINRFKL-UHFFFAOYSA-N 393.241 3.290 30 40 GGEB COc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)NC2=O)cc1OC 6490731 VEXFGSIJJAGIKO-YBEGLDIGSA-N 384.413 3.294 30 40 GGEB Cc1nn(-c2ccccc2)c(O)c1/C=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 59366695 NEKDFUZVQKRRTR-VCHYOVAHSA-N 382.336 3.149 30 40 GGEB COc1cc(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cc(OC)c1OC 100511656 DHPKWEDQAFHLJA-XKZIYDEJSA-N 381.432 3.261 30 40 GGEB C=CCN(Cc1ccc(Br)s1)C(=O)CSc1nc(C)n[nH]1 12802001 GNQIKNZDBJKISC-UHFFFAOYSA-N 387.328 3.244 30 40 GGEB CN(CCOc1ccc(Br)cc1)CC(=O)Nc1sccc1C#N 3442634 DIPKCLAYLSVQBG-UHFFFAOYSA-N 394.294 3.332 30 40 GGEB N#Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCCCN3)cc2)cc1 6852018 TXDQVPDOLPKDCW-UHFFFAOYSA-N 396.472 3.061 30 40 GGEB O=C(OCc1ccccc1)c1ccc(-c2ccc(/C=N/Nc3nnn[nH]3)o2)cc1 8381252 RIJAXJZGJHJPOH-CIAFOILYSA-N 388.387 3.263 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCC)c(Cl)c2)C(=O)NC1=S 408901689 AGUOEOGLWJHORW-UXBLZVDNSA-N 385.272 3.205 30 40 GGEB O=C(O)c1cccc(-c2ccc(/C=N/N3C(=O)[C@H]4[C@@H]5C=C[C@H](CC5)[C@H]4C3=O)o2)c1 222287211 YWXAEKYBZLFIKF-ZNCRURDSSA-N 390.395 3.176 30 40 GGEB COc1cc(C=Nn2c(S)nnc2-c2ccc(C)cc2)cc(OC)c1OC 252394327 HPAHXRFHIOIGFV-UHFFFAOYSA-N 384.461 3.450 30 40 GGEB CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(C)C)cc1 20262827 HAKCMFUPYRKLOC-IBGZPJMESA-N 398.459 3.208 30 40 GGEB COc1ccc(NC(=O)[C@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 100129378 SXOLPQVKMPFPIO-QAPCUYQASA-N 390.439 3.171 30 40 GGEB CCNC(=O)C[C@@H]1S/C(=N\c2cc(Cl)c(O)c(Cl)c2)N(CC)C1=O 4699866 LECNOVRYLQJQJN-HSHIVQNRSA-N 390.292 3.177 30 40 GGEB C=CCn1c(N)c(C(=O)NCCc2ccc(F)cc2)c2nc3ccccc3nc21 4825437 DZYFDYDQFNKSPD-UHFFFAOYSA-N 389.434 3.464 30 40 GGEB N#Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 8039981 RHFHMQXNRQCVIF-SFHVURJKSA-N 384.457 3.245 30 40 GGEB C[C@@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1ccc2c(c1)OCCO2 14249807 NZAUUYNVUCHKIU-ZDUSSCGKSA-N 385.851 3.442 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@H]2c2ccccc2F)cc1 16737189 VTLLJWQUCFAVPZ-IBGZPJMESA-N 399.418 3.185 30 40 GGEB CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(N2CCC(C(N)=O)CC2)n1 19820632 ZSVRMHPNOIOKRH-UHFFFAOYSA-N 387.896 3.092 30 40 GGEB N#Cc1ncn(CC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 23076227 FJDDJTBEKWXMCJ-UHFFFAOYSA-N 379.232 3.219 30 40 GGEB N#Cc1c(NC(=O)CN2CCN(c3ccccn3)CC2)sc2c1CCCCC2 23472023 GDBKJMGXPMIISP-UHFFFAOYSA-N 395.532 3.044 30 40 GGEB COc1ccc(OC)c([C@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 23884366 VZBIRGLECMVWCE-AWEZNQCLSA-N 384.480 3.241 30 40 GGEB C[C@@H](OC(=O)[C@H]1Cc2cc(Cl)ccc2O1)C(=O)Nc1sccc1C#N 25111102 VEGNPPPYJREFAV-YMTOWFKASA-N 376.821 3.147 30 40 GGEB CC(=O)N1C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)Oc2ccccc21 32727205 POBMEFRYZIVZAZ-XIKOKIGWSA-N 395.484 3.497 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)Nc3ccccc3-n3cccn3)CC2)cc1 48150003 APECJQHIZCDXRJ-UHFFFAOYSA-N 386.459 3.094 30 40 GGEB CCc1ccc(-n2c(=S)[nH]c(O)c(/C=N/c3ccc(OC)nc3)c2=O)cc1 101590223 WXUAPDLLRHFQCT-RGVLZGJSSA-N 382.445 3.317 30 40 GGEB O=[N+]([O-])c1cc(/C=N/Nc2ccc3ccccc3n2)ccc1N1CCOCC1 409020487 PUWXOXQBHGUNMU-KGENOOAVSA-N 377.404 3.426 30 40 GGEB COc1cccc(/C=C\c2c(C(=O)O)nn(-c3cccc(C)c3)c(=O)c2C#N)c1 409204682 IBPOYQLJYTYECB-KTKRTIGZSA-N 387.395 3.290 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](COc3cc(C#N)ccn3)C2)c1 1775970352 DAEXQDYKHAPSBX-GOSISDBHSA-N 385.489 3.050 30 40 GGEB CCc1cc(OCC2CCN(c3nc4c(cc3C#N)CCC4)CC2)nnc1C 1888875758 DKLWLCLJEOLWAX-UHFFFAOYSA-N 377.492 3.398 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1cc(Cl)ccc1O 7505973 BNECXEXKWUXHCT-UHFFFAOYSA-N 380.809 3.095 30 40 GGEB CCN1C(=O)C[C@H](C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1 12631687 DWMMBCBRCFISLX-BLRPHQBRSA-N 397.456 3.365 30 40 GGEB C=CCN(CC=C)C(=O)c1ccn(COc2ccc(Br)cc2)n1 27973056 RKKHAJQEXRUGCN-UHFFFAOYSA-N 376.254 3.496 30 40 GGEB COC(=O)[C@@H](/C=N/OCc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 5209659 OKBMAPLFYAWRQG-PPAWOMOGSA-N 395.242 3.467 30 40 GGEB O=S(=O)(C[C@@H]1CCCCO1)/N=C(\O)c1cnc(Cc2ccc(F)cc2)s1 66232278 JZJHUIVZKJYUHQ-AWEZNQCLSA-N 398.481 3.077 30 40 GGEB Sc1nnc(-c2[nH]nc3c2CCC3)n1/N=C/c1ccc(Br)s1 5626281 JGCQWNKQXBYFQK-GIDUJCDVSA-N 395.311 3.152 30 40 GGEB COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@@H](C)C1 4889202 GIJBBKJVURIRHU-OWCLPIDISA-N 382.464 3.051 30 40 GGEB C=CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)c1 408936472 KARVICBCFWKHDQ-RGEXLXHISA-N 376.412 3.480 30 40 GGEB C[C@](O)(CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc(-c2ccccc2)cc1 77102295 QTOWTNAAYZVEPV-DEOSSOPVSA-N 399.450 3.188 30 40 GGEB Cn1nc2c(c1NC(=O)C1CCN(c3ccc(C#N)cc3F)CC1)CCCC2 601842465 NPFKUVWBQXZRIS-UHFFFAOYSA-N 381.455 3.165 30 40 GGEB CCN(CC)[C@H]1CCN(c2cc(C)nc(N3CC[C@@H](N(CC)CC)C3)c2C#N)C1 596143319 SIKIMVNDFLZDJI-VQTJNVASSA-N 398.599 3.103 30 40 GGEB CC(C)(C#N)C[C@@H](O)CN1CCN(Cc2cc(Br)ccc2F)CC1 598620762 RYMYFMJQOZLDBT-MRXNPFEDSA-N 398.320 3.007 30 40 GGEB O=S(=O)(OCC(F)(F)C(F)(F)Cl)OCC(F)(F)C(F)(F)Cl 95708033 XIKSGIRSWALSRN-UHFFFAOYSA-N 395.051 3.198 30 40 GGEB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2C#N)[nH]1 14152392 NSIJUWHPYCTMOS-UHFFFAOYSA-N 379.445 3.473 30 40 GGEB CCOC(=O)/C(=C/Nc1cc(C(C)(C)C)sc1C(N)=O)C(=O)C(F)(F)F 100302403 SJXBHQHKDJTWRN-BQYQJAHWSA-N 392.399 3.135 30 40 GGEB COC(=O)c1ccc(COc2ccc(/C=C/C(C)=N\NC(N)=S)cc2)cc1 4954285 VNMLLSNSUDHLNN-RWUOWIBZSA-N 383.473 3.275 30 40 GGEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccco3)c2c1 8023971 CCHASSQTPWBZFL-IBGZPJMESA-N 380.400 3.297 30 40 GGEB C=CCOC(=O)COc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1C 2149280 HYBLSHRBPJLRMD-UHFFFAOYSA-N 388.416 3.014 30 40 GGEB biogenic Cc1sc(NC(=O)CSc2nnc(-c3ccncc3)n2C)c(C#N)c1C 2181075 LLVHYMIEQIHGOP-UHFFFAOYSA-N 384.490 3.158 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(O)cc2)no1 6428296 HOEZMBJJEBSCAQ-QGZVFWFLSA-N 380.356 3.373 30 40 GGEB Cc1c(Cl)cccc1-n1c(=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21 6809428 RKVFEVMTNCNWMQ-UHFFFAOYSA-N 376.803 3.141 30 40 GGEB C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cnc(C)cn2)cc1OC 7735574 CBKNLAXPTLPFQS-SFHVURJKSA-N 397.475 3.180 30 40 GGEB CC[C@H](C)Oc1c(OC)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC 409348020 OHOVQXVGLKPCFI-ZDUSSCGKSA-N 397.431 3.179 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1 408613387 WSYWIBCTCJHXDW-UHFFFAOYSA-N 394.880 3.310 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 32505654 WWVDWCUUBCSLKG-MNGLYYNBSA-N 380.535 3.095 30 40 GGEB C=CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(OC)cc1)C(=O)CC 223262281 MDNHEPRLNNUKLX-OAQYLSRUSA-N 380.488 3.347 30 40 GGEB Cc1ccccc1Nc1nc2nonc2nc1N/N=C/c1ccc2c(c1)OCO2 4455759 CQJKWCOKPKRICJ-AWQFTUOYSA-N 389.375 3.240 30 40 GGEB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCCN(c2ccccc2C#N)CC1 52801218 LKKCGOJJCSOTQD-HNNXBMFYSA-N 384.430 3.376 30 40 GGEB C=CCn1c(S)nnc1-c1sc(NC(=O)CCc2ccco2)nc1C 24828292 MMNHPFFSVXWACH-UHFFFAOYSA-N 375.479 3.349 30 40 GGEB N#Cc1ccccc1COc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 107916295 SKBDWWBFYVTNIZ-CVWKSKFMSA-N 397.434 3.278 30 40 GGEB CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)c(C)nc21 2257612 VANBXBBWVZDVSC-AFUMVMLFSA-N 392.463 3.477 30 40 GGEB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN(c2ncccc2C#N)CC1 12818344 CVEBWXKRQBXMTJ-UHFFFAOYSA-N 384.867 3.113 30 40 GGEB CCOC(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3450668 LKCXJJOLBNGRGR-UHFFFAOYSA-N 384.413 3.139 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 110513753 GEQAWOZJEYGDBP-MTEQTAPTSA-N 389.521 3.264 30 40 GGEB C[C@H](OC(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N 7551743 GZYNENFGZNSDCX-GXFFZTMASA-N 390.848 3.395 30 40 GGEB COc1cc(/C=N\Nc2ccc(C(F)(F)F)cn2)ccc1O[C@H](C)C(=O)O 409020900 VKABZGFRNVYSOC-WAYGTWCKSA-N 383.326 3.407 30 40 GGEB NC(=O)COc1ccccc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O 408530096 KPUWRUPDQYMXCA-DHDCSXOGSA-N 387.848 3.096 30 40 GGEB N#Cc1ccccc1C[C@H](C#N)c1c(C#N)c(N)nc(N2CCCCC2)c1C#N 84502403 PXILFVRQIJKOLW-QGZVFWFLSA-N 381.443 3.119 30 40 GGEB N#Cc1c(CCCNC(=O)c2cc3ccccc3o2)nn(-c2ccccc2)c1N 32827923 SYIDSKLSHQYIQK-UHFFFAOYSA-N 385.427 3.435 30 40 GGEB CC(C)c1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccccn2)s1 102736517 BCDKOKJMEBXZGZ-SXWSKBOKSA-N 396.428 3.276 30 40 GGEB COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 102695447 GIJBBKJVURIRHU-ARFHVFGLSA-N 382.464 3.051 30 40 GGEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1 12893056 RVGGKFVOSXEYQT-INIZCTEOSA-N 384.819 3.394 30 40 GGEB O=C(C[C@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1ccccc1Cl 3539573 YLCOWAOMIZTYSO-MRXNPFEDSA-N 387.892 3.499 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C)cc2C1=O 6258976 SZQXIOXHTQTEEN-UHFFFAOYSA-N 380.400 3.047 30 40 GGEB C=CCn1c(SCC(=O)N(C)Cc2ccsc2)nc2sccc2c1=O 14198385 HDXMYOUMPTZMFS-UHFFFAOYSA-N 391.543 3.456 30 40 GGEB C=CCOc1ccc(C2=NO[C@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 6660628 BKIFACNGJWKQGI-FQEVSTJZSA-N 380.400 3.154 30 40 GGEB COc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)cc(OC)c1O 4987421 AVKZXMJBVOUXAF-GOEBONIOSA-N 393.439 3.414 30 40 GGEB Cc1ccc(-n2nc(C)c(/C=N/NS(=O)(=O)c3ccccc3)c2Cl)cc1 7777389 JVCPTQVAYUASPJ-UDWIEESQSA-N 388.880 3.455 30 40 GGEB C=CCOc1cccc(NC(=O)[C@@H](CC)N(c2ccccc2)S(C)(=O)=O)c1 13711641 VGEFRMDGVOGZFB-LJQANCHMSA-N 388.489 3.435 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)o1 169367796 NAOUXJUEBLIFEY-ZNCRURDSSA-N 390.395 3.176 30 40 GGEB CNC(=O)[C@@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 1440997 OQAXMUMWOANVIK-UXPDKRSESA-N 377.466 3.155 30 40 GGEB Cc1cccc(C)c1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(CCO)C1=O 100145453 DWCUNMLIGGOJLI-KTVWJZFRSA-N 397.500 3.256 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2)cc1 102863449 YDUSPKAISFSOFJ-NHFXJNLRSA-N 378.472 3.368 30 40 GGEB C=CCNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 2631842 GSOJVXDEUWOQJD-UHFFFAOYSA-N 399.903 3.493 30 40 GGEB CC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 22001726 WQUXBQVUVGNOKK-AAZVSSJSSA-N 383.488 3.020 30 40 GGEB in-vitro C[C@H](Sc1ccccc1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 48461679 KZIWITZBEGWULL-LBPRGKRZSA-N 379.459 3.284 30 40 GGEB C=CCN(CCOc1ccccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 13014240 MCGRZKYVCXGIMH-UHFFFAOYSA-N 388.489 3.209 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@H]1c1ccccc1Cl 4427707 KMVYOORRELZUEY-SELCWUDQSA-N 384.863 3.323 30 40 GGEB COc1cc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)Nc3ncnn32)ccc1O 18197625 RCIXLYFJZGXGKD-HXPMCKFVSA-N 394.456 3.470 30 40 GGEB Nc1nc2n(n1)[C@H](c1cccc(F)c1)C1=C(C[C@@H](c3cccs3)CC1=O)N2 18200620 YHBZDJJXOOEOFL-PIGZYNQJSA-N 381.436 3.477 30 40 GGEB C=CCN1CC[C@@]2(CN(C(=O)c3ccc(C)s3)C[C@@H]2c2nccs2)C1=O 306123829 AXZXYEPRTIVCHQ-KUHUBIRLSA-N 387.530 3.157 30 40 GGEB COC(=O)C[C@@H](C1=C(O)CC(C)(C)CC1=O)c1cc2cc(OC)ccc2[nH]c1=O 524730258 BJFMFSAGIRETLR-CQSZACIVSA-N 399.443 3.385 30 40 GGEB biogenic C#CCOc1ccc(CN2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc1 12667687 UIQZOTYSVIDRMX-SFHVURJKSA-N 375.476 3.012 30 40 GGEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCOC)cc1 102704444 XUXIAMGVVZXLLG-LFVOPCPISA-N 397.427 3.303 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1 102929938 GTEYUONHSKHAGN-YDJIHCHBSA-N 394.471 3.069 30 40 GGEB C=CCNC(=O)c1c(N)n(/N=C/c2ccc(F)cc2)c2nc3ccccc3nc12 2396459 YBRGIBDMSVKUJS-BRJLIKDPSA-N 388.406 3.104 30 40 GGEB Cc1c([C@@H]2C(C(=O)c3cccs3)=C(C(F)(F)F)Nc3ncnn32)cnn1C 2806234 SXQJYTUYOYWKEC-GFCCVEGCSA-N 394.382 3.096 30 40 GGEB CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3337924 YMMCMNNGVXYNPV-UHFFFAOYSA-N 397.456 3.100 30 40 GGEB COc1ccc([C@@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c(OC)c1 5066453 WFPVKCNKMSFYHM-ZCLUNYJNSA-N 392.415 3.213 30 40 GGEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)S(=O)(=O)c1ccccc1 12654752 GQXKYPFCABQKDD-UHFFFAOYSA-N 385.445 3.122 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccccc2)cc1 12970070 LURRMFVHAIXNRM-QUCCMNQESA-N 393.439 3.453 30 40 GGEB COc1ccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)cc1 20572851 IDPGZJNGTDRYQN-MOSHPQCFSA-N 394.471 3.073 30 40 GGEB CCCCn1nc(C(=O)Nc2ccc(OCC#N)cc2)c2ccccc2c1=O 32480761 LYRBPCPIFWDNLJ-UHFFFAOYSA-N 376.416 3.351 30 40 GGEB O=C(CNC(=O)NCC#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 78992776 YBXAJVWHYQHVBR-UHFFFAOYSA-N 393.340 3.134 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/C)Nc2ccc(OC)cc2)[C@H]1c1ccccc1 100218747 NONZTONJRKWFIN-RMWKRFJVSA-N 380.444 3.180 30 40 GGEB N#Cc1ccnc(OC[C@@H]2CCCN(C(=O)c3nc4ccccc4s3)C2)c1 1775970156 DRVYWWJMPONGFB-OAHLLOKOSA-N 378.457 3.494 30 40 GGEB CN(CCC#N)C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 3284780 AGDPEBVERBTUML-UHFFFAOYSA-N 386.835 3.448 30 40 GGEB CC1(C)[C@@H](c2nc(C#N)c(NCCN3CCOCC3)o2)[C@@H]1C=C(Cl)Cl 27562281 WRKOWFGIIUZZAU-SMDDNHRTSA-N 385.295 3.349 30 40 GGEB Cc1ccsc1/C=N/n1c(C)nnc1SCn1nc(C)c([N+](=O)[O-])c1C 2732158 LYFMYFRXNADHMP-FRKPEAEDSA-N 391.482 3.310 30 40 GGEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 3527518 ZIDLUHXKHAYVNH-UDWIEESQSA-N 382.376 3.443 30 40 GGEB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C1\CCc2ccccc2C1=O 6339736 KRZWRYHLFAAHGL-YVGNARHYSA-N 390.892 3.417 30 40 GGEB N#Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)cc1Cl 8246063 ZCVWDLOSIUBMRD-HNNXBMFYSA-N 385.826 3.380 30 40 GGEB N#Cc1cccc(C(=O)NC2CCN(c3cc(-c4cccs4)n[nH]3)CC2)c1 98212833 BMLMTQBKHPFSFR-UHFFFAOYSA-N 377.473 3.409 30 40 GGEB COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(N3CCOCC3)o2)S1 408871099 XTDJVYJELQCRPF-ATVHPVEESA-N 399.472 3.325 30 40 GGEB C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](O)CC[C@]43C=O)[C@@]13O[C@H]3C[C@H]2c1ccc(=O)oc1 584578897 LFLJTMIVTFTLOA-WJTOSLFNSA-N 398.499 3.437 30 40 GGEB COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccccc3)n3c2CCC3)c1 13758408 DVOQAUFOLSZRNM-UHFFFAOYSA-O 378.452 3.045 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 96336109 ZBYYFGHGLJKIAK-AWEZNQCLSA-N 397.368 3.427 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccccc1 102874686 RZRDXWSCDCRLRB-WOOAAIBNSA-N 381.428 3.153 30 40 GGEB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2c(C)nn(CCC#N)c2C)c1 23884363 VZBIRGLECMVWCE-CQSZACIVSA-N 384.480 3.241 30 40 GGEB Cc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)cc1F 4945700 GFAHABYBBHPINH-UHFFFAOYSA-N 389.433 3.345 30 40 GGEB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3cccc(C#N)c3)c2c1=O 48989523 BQDIWOXBGYZQII-UHFFFAOYSA-N 397.438 3.395 30 40 GGEB Cc1c(C#N)c2ccccc2n1CC(=O)NCc1ccc2c(c1)OCCCO2 64987008 GKLXVHJCHWYMSH-UHFFFAOYSA-N 375.428 3.299 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc(N(C)C)cc2)nc1C 7058555 BLHWRZHXKGUJLW-UHFFFAOYSA-N 398.488 3.235 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@@H](C)c2cccs2)nc1C 7149464 MDPYRCDTYHJRKP-LBPRGKRZSA-N 389.502 3.469 30 40 GGEB C#CCN(Cc1ccco1)C(=O)N[C@@H]1CCN(c2cc(Cl)ccc2OC)C1 72313333 IJVLJJMPLVDDHA-MRXNPFEDSA-N 387.867 3.365 30 40 GGEB CCOc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)O 409074185 KWQLDQWKLKWTNN-GZIVZEMBSA-N 383.326 3.409 30 40 GGEB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(CC#N)cc3)ccc21 225723759 BUYJKEVYISLYPZ-UHFFFAOYSA-N 387.486 3.340 30 40 GGEB C#CCNC(=O)[C@@H]1CCC(=O)N(c2ccc(C)cc2)[C@@H]1c1ccccc1OC 37085007 HXUCLQGECIVVRS-DENIHFKCSA-N 376.456 3.237 30 40 GGEB C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)o3)cc2)C1=O 5000822 YMWNGNUUOILORJ-YBEGLDIGSA-N 383.381 3.226 30 40 GGEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(Cl)ccc1C 16741155 WSKVDUFPDVJNBH-AYGAQVIVSA-N 386.926 3.050 30 40 GGEB N#CCCN(C(=O)COC(=O)Cc1coc2cc(O)ccc12)c1ccccc1 4920202 RNJCAWPFDBJCGU-UHFFFAOYSA-N 378.384 3.171 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)cc2C1=O 5569677 FFXSOUGXDJEHBB-LBPRGKRZSA-N 381.359 3.036 30 40 GGEB N#Cc1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCCC2 4079297 ZZDVCYMKOQZQPJ-UHFFFAOYSA-N 379.441 3.404 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 13132496 MXWFGSIQMWMCSN-FQEVSTJZSA-N 394.471 3.367 30 40 GGEB N#Cc1cnc(-c2ccc(F)cc2)n(CC(=O)Nc2ccc3c(c2)CCC3)c1=O 49006193 XTWAUZZAYFBQCT-UHFFFAOYSA-N 388.402 3.048 30 40 GGEB O=C(/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F)C1CCCCC1 15894412 QIWYPYBVRVDVPS-HYLQGWQCSA-N 396.509 3.007 30 40 GGEB Cc1nc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)s1 102928349 QHGNPKPTSPJATD-GROYHEBESA-N 399.516 3.133 30 40 GGEB COC(=O)C1=C(C(=O)c2ccccc2)[C@H](c2ccccc2Cl)N2NN=NC2=N1 1104779 RGSLDDWOZSOEGO-INIZCTEOSA-N 395.806 3.248 30 40 GGEB COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 2625524 NEKMBSDCFLPZDT-UHFFFAOYSA-N 385.851 3.226 30 40 GGEB COc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3OC)C(=O)N2C)cc1 4700781 UCXDDMJUUBNMSP-UNEBPCJRSA-N 399.472 3.294 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(F)cc1)C(C(=O)OC)=C(C)N2 8132290 FQHTVZXNZZKITA-AWEZNQCLSA-N 387.436 3.192 30 40 GGEB COc1cccc(C/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)c1 33632604 ZAEQKAIPFRJKNP-RPNTZMPASA-N 398.459 3.425 30 40 GGEB biogenic CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 40018128 JOFNKWCFMGMSKF-DJJJIMSYSA-N 384.509 3.210 30 40 GGEB C/C(=N\CCCn1cccn1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O 101538632 PCWUAPHHLOFTGX-DEDYPNTBSA-N 380.477 3.180 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 110513756 GEQAWOZJEYGDBP-CYHKLVCISA-N 389.521 3.264 30 40 GGEB C=CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1 223847949 ARDUNFFZQYQJNP-UHFFFAOYSA-N 386.473 3.351 30 40 GGEB Cc1nc[nH]c1CN1CC(F)(F)C[C@@]2(CCCN(c3cccc(C#N)c3)C2=O)C1 306128894 HNUVRURVNUENPI-FQEVSTJZSA-N 399.445 3.244 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=N/N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 409179529 RFDKVUKKNLPMQQ-WOXWEOHFSA-N 384.435 3.383 30 40 GGEB C=CCOc1c(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Cl)cc1OC 409408615 YUEOLMLRXOGXGO-MWDDYTRKSA-N 386.835 3.054 30 40 GGEB C[C@H]1CN(c2c(C#N)cnc3c(Cl)cccc23)CC[C@@H]1N1CCN(C)CC1 579946184 BUCDTWRTFPLORY-KXBFYZLASA-N 383.927 3.222 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 3567844 DVGVMXCRYHLXNO-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB O=C(O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br 4698973 HWXROIDFOHIDEC-UHFFFAOYSA-N 387.185 3.375 30 40 GGEB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 4739863 RZUWRAFWFCFTQI-DWJBRTMWSA-N 391.383 3.386 30 40 GGEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCC=C)n3C)cc1 4944639 XJFRPHBZMYNDAE-OAHLLOKOSA-N 383.473 3.097 30 40 GGEB C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCC5(CC4)OCCO5)[C@H]3C[C@@H]12 4073560 PAXXEMKFBLFNJK-GQUPQBGVSA-N 375.509 3.140 30 40 GGEB biogenic C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 5274792 VGWFNPAXQQIJSL-QGZVFWFLSA-N 385.370 3.317 30 40 GGEB C[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N1c2ccccc2C[C@@H]1C 5813037 PHKMEVGFFALZSE-GJZGRUSLSA-N 391.427 3.062 30 40 GGEB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C 65743107 WIRUTYUSQYFQAC-FDTZYFLXSA-N 398.499 3.444 30 40 GGEB in-vitro C=CCN1CC[C@]2(CN(Cc3ccc(OC)cc3)C[C@@H]2c2nccs2)C1=O 306124667 BWBGTHLYOXKUDW-WIYYLYMNSA-N 383.517 3.156 30 40 GGEB C#CCN1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2cc(Br)ccc21 2327935 LSRZBURGGRYOFM-LJQANCHMSA-N 381.229 3.146 30 40 GGEB COc1ccccc1/N=C1\S[C@H](C(=O)NCCc2ccccc2)CC(=O)N1C 4576911 YXSVXZLEPYLNQE-NKWDDMGQSA-N 397.500 3.006 30 40 GGEB CC(C)(C)C(=O)/C=C1\SCC(=O)N1CC(=O)N[C@H]1CCCc2ccccc21 5403916 NEOWAZNDLOWZDJ-VBNMEBLOSA-N 386.517 3.212 30 40 GGEB CC(C)CCn1c(SCC(=O)NCCC#N)nc2cc(Cl)ccc2c1=O 6784389 VUJKDIRQEHQQMA-UHFFFAOYSA-N 392.912 3.218 30 40 GGEB N#Cc1c(NC(=O)COC(=O)c2ccc(Cl)cc2O)sc2c1CCC2 7199524 WGKOOSAWOJNGBO-UHFFFAOYSA-N 376.821 3.263 30 40 GGEB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC(=O)N(O)C(=O)[C@]4(C)CC[C@H]32)C1 8616309 LLUBVGAUALLRPJ-YBCKDWFCSA-N 375.465 3.235 30 40 GGEB CCOc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2CCCN(C)C)cc1 8744054 XRCSMICDNNDHAK-WOOAAIBNSA-N 398.459 3.052 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 9062813 MXBOAEDNKCPNBI-UHFFFAOYSA-N 377.488 3.453 30 40 GGEB CCOC(=O)[C@]1(C)/C(=N/Nc2ccc(Cl)cc2)C(=O)C(=O)N1c1ccccc1 13110773 XUZCHJDOJIUOTM-UZXYXVAJSA-N 399.834 3.046 30 40 GGEB O=C1C=C/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc21 18045446 HUJXHFUVVUBQOX-OBGWFSINSA-N 376.231 3.380 30 40 GGEB C=CCc1cccc(CN2CCc3nc4c(C)csc4c(=O)n3CC2)c1O 19240326 DFOCGABMSKARIF-UHFFFAOYSA-N 381.501 3.259 30 40 GGEB C=CCn1c(SCC(=O)[C@H](C#N)c2nc(C)cs2)nnc1-c1cccnc1 19314178 XUJNJYCYRQGHLI-AWEZNQCLSA-N 396.501 3.260 30 40 GGEB C[C@@H]1CCc2nc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)sc2C1 22239831 VQPXSOWDNHNUJB-CYBMUJFWSA-N 381.505 3.390 30 40 GGEB CCOc1ccc([C@H](CNc2ccccc2C#N)N2CCOCC2)cc1OC 32829307 PKOKOZQPVFMHTH-FQEVSTJZSA-N 381.476 3.451 30 40 GGEB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Oc3ccc(C#N)cc3)CC2)c1 40128243 MAWZYUSSEQUQJF-UHFFFAOYSA-N 394.427 3.033 30 40 GGEB Cc1csc(=O)n1CC(=O)N1/C(=N\Cc2ccccc2)SCC1(C)C 105518217 KSCMHLPGMMHSJS-KNTRCKAVSA-N 375.519 3.128 30 40 GGEB CC(=O)OCC(=O)[C@@]12O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@@]12C 1569999044 CJWVPWWYWQISMB-OYXDYEMPSA-N 384.472 3.318 30 40 GGEB O=C(Cc1ccccc1)ON1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 106993016 KSMUEGTXXQHCCS-UHFFFAOYSA-N 376.324 3.045 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccccc1 17918529 UMGVEYMGFNOBID-LJQANCHMSA-N 381.428 3.228 30 40 GGEB CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2ccccc2OC2CCCC2)[C@H](C#N)C1 95939175 GLLATAMYLMKWDS-CRAIPNDOSA-N 399.491 3.497 30 40 GGEB CCc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])c(O)cc3O)S2)cc1 408761226 CPBWIQCVXSIGQP-PXNMLYILSA-N 385.401 3.460 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409141718 ISKQVOJMJFTQCY-WOJGMQOQSA-N 393.443 3.268 30 40 GGEB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 408718761 GTLQPEXELLALLF-MDJXRCAMSA-N 391.383 3.386 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218104523 BCCYQJWVJNWMJZ-SVFBPWRDSA-N 399.468 3.016 30 40 GGEB COC(=O)c1ccc(/C=N/Nc2cnn(-c3ccccc3)c(=O)c2Cl)cc1 19343851 MWQKLAOZRKJOHM-SRZZPIQSSA-N 382.807 3.119 30 40 GGEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CN(C(=O)CC)CCO1 19498997 SVTWDCATLFWUOY-DEOSSOPVSA-N 392.499 3.206 30 40 GGEB Nc1ncnc(N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c1[N+](=O)[O-] 5447168 DWVJQJBDWTVWOW-YSURURNPSA-N 387.403 3.416 30 40 GGEB COc1cc(/C(C)=N/Nc2ccc(C(F)(F)F)cn2)ccc1OCC(=O)O 7008828 LEUZBFJWMXZFIY-LSHDLFTRSA-N 383.326 3.409 30 40 GGEB Cc1noc(C)c1CC(=O)Nc1nnc(SCc2ccc(C#N)cc2)s1 24069593 KGRJXDIZFOCABD-UHFFFAOYSA-N 385.474 3.488 30 40 GGEB CC(C)n1ncc2cc(NC(=O)C3CCN(c4ccc(C#N)cn4)CC3)cnc21 24193275 OCGIFZGQDOBDNN-UHFFFAOYSA-N 389.463 3.134 30 40 GGEB COC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2c(C)cc(C)cc21 100910611 PPOBEGNTNHFRCT-XDOYNYLZSA-N 379.441 3.105 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2cccc(F)c2)c2ccccc21 20733466 RBEZKLACUVWXOU-QFIPXVFZSA-N 386.386 3.269 30 40 GGEB CCc1sc(C(=O)NC/C(O)=N/c2nc(-c3ccc(OC)cc3)n[nH]2)cc1C 32786889 UTVSYOKNNKKKBW-UHFFFAOYSA-N 399.476 3.431 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1cccs1 102803319 FPFDUJBVDMFXKF-MNWMYKRDSA-N 387.417 3.365 30 40 GGEB O=C(OCC#CCSc1nc2ccccc2o1)C1=C[C@@H]2C=CC=C[C@@H]2OC1=O 4501873 RMHJXZLPIJHRNZ-YOEHRIQHSA-N 393.420 3.061 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N2CCCC[C@@H]2CC)nc1C 7149708 NCIBKOVCRNQDED-HNNXBMFYSA-N 375.494 3.322 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccccc2)cc1 102520177 VMRACLSWOUZLOP-LFVOPCPISA-N 379.412 3.282 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)o1 169367795 NAOUXJUEBLIFEY-AKYMMEASSA-N 390.395 3.176 30 40 GGEB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2cccc(C#N)c2)cc1 3405814 VSBJZRISZPIJPO-ZDUSSCGKSA-N 379.445 3.267 30 40 GGEB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1cc(Cl)ccc1C#N 3584656 KBBNZSSVFDXTLA-UHFFFAOYSA-N 391.258 3.374 30 40 GGEB C=CCn1c(Cc2csc(NC(=O)c3cc(C)ccc3O)n2)n[nH]c1=S 12930040 FSVVZDHHIRLMIW-UHFFFAOYSA-N 387.490 3.440 30 40 GGEB N#Cc1ccsc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7616950 ULGVAMUUYDFXTH-UHFFFAOYSA-N 382.474 3.339 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl 32634347 ZMAXDVAVGLQQQJ-OYPIUGFMSA-N 393.317 3.005 30 40 GGEB N#CCCN(CCC#N)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 12178589 WQFNDWUTGQBOEH-UHFFFAOYSA-N 375.841 3.138 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccccc1C 20028963 WPPMTBIZQLKTPS-BOFPYLFWSA-N 397.471 3.171 30 40 GGEB C=CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O 51316036 ISEXWIRPRFZVHD-UHFFFAOYSA-N 377.444 3.111 30 40 GGEB CC(C)[C@H](NS(=O)(=O)c1cccc(C#N)c1)c1ccc2c(c1)OCCCO2 32740526 YEUJDFACCVMBJB-FQEVSTJZSA-N 386.473 3.395 30 40 GGEB CCOc1ccc(/C=N/n2cnc3c([nH]c4ccc(OC)cc43)c2=O)cc1OC 4843879 XBOUYEZZCJKCSW-FOKLQQMPSA-N 392.415 3.176 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2C)c2ccccc21 20735290 HJJDIAYJBMZKOY-QHCPKHFHSA-N 382.423 3.438 30 40 GGEB Cc1ccc(S(=O)(=O)OC[C@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 79436657 DDLVDGGKOSCIHY-SFHVURJKSA-N 389.473 3.359 30 40 GGEB CC(=O)/C(=C\Nc1ccc(Br)cc1)c1nnnn1-c1ccccc1 35586100 ZOKAPPIEXKGOAA-LFIBNONCSA-N 384.237 3.467 30 40 GGEB C=CCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1Cl 225796177 KTDYZYQXMICBMQ-UHFFFAOYSA-N 394.905 3.229 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1)S(C)(=O)=O 225310418 RAYKTEFHVVXMPZ-HNNXBMFYSA-N 388.489 3.138 30 40 GGEB COC(=O)c1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)cc1 40266296 XNBIVSQEZPQXRG-SFHVURJKSA-N 376.416 3.199 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 226420787 RZUWRAFWFCFTQI-VWIVVIEDSA-N 391.383 3.386 30 40 GGEB C=CCn1nc(C)c(-c2cc(C(=O)NCCN(C)C3CCCCC3)[nH]n2)c1C 19578220 PVVUAHFJTAXBLS-UHFFFAOYSA-N 384.528 3.070 30 40 GGEB CCN1CCN(Cc2ccc(CNc3ccc([N+](=O)[O-])cc3C#N)cc2)CC1 32932652 MQCJKRWKLPLGEE-UHFFFAOYSA-N 379.464 3.216 30 40 GGEB Cc1nc(=O)c2c([nH]1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]2c1ccc([N+](=O)[O-])cc1 44974074 NWCABWFYSOZQRB-HNNXBMFYSA-N 380.404 3.187 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)o1 5595839 YJHYLEGIIYADGN-HVESIFNPSA-N 388.851 3.225 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32507964 LFZLWVWWMRZGKN-NNGLLJABSA-N 394.562 3.458 30 40 GGEB C=CCOc1ccc(NC(=O)[C@H](C)N(c2cccc(C)c2)S(C)(=O)=O)cc1 220136518 PKWYKIMYWWYVIS-INIZCTEOSA-N 388.489 3.353 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)C(=O)NC[C@H](O)c1csc2ccccc12 225698566 JFLHBFYBJVKBOF-INIZCTEOSA-N 399.859 3.215 30 40 GGEB N#Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCO3 35288675 ULKBVSYLBLYHHH-UHFFFAOYSA-N 377.425 3.244 30 40 GGEB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(N)c(C#N)c(C2CC2)c1C#N 13577384 JAURLEXRHHFHCA-LBPRGKRZSA-N 389.484 3.354 30 40 GGEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)cc1OC 852330 MMMAVAZAVJFBQM-HXUWFJFHSA-N 381.428 3.231 30 40 GGEB biogenic Cc1cc(C)n(-c2nncn2/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)n1 6189288 NQHCNCMAOXZQFR-NGYBGAFCSA-N 380.195 3.178 30 40 GGEB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)n1N)C(=O)Nc1cccc(C#N)c1 6391435 DZQBEJHSCGTWBU-LLVKDONJSA-N 398.879 3.303 30 40 GGEB C=CCOc1ccc(/C=C2/C(=O)NN(c3ccc(Cl)cc3)C2=O)cc1OC 13602035 QBSXRUSQEQGREE-WJDWOHSUSA-N 384.819 3.375 30 40 GGEB Cc1cc(C)nc(N/C(=N\C(=S)Nc2ccccc2)NCc2cccnc2)n1 14157645 VLFPMLNAURFEQE-UHFFFAOYSA-N 391.504 3.443 30 40 GGEB COc1ccc(CN/N=C/c2ccc(I)o2)cc1OC 20195851 POWJOBILZQNZMZ-RQZCQDPDSA-N 386.189 3.025 30 40 GGEB CN1/C(=C\C(=O)COC(=O)[C@@H]2COc3ccccc3O2)C(C)(C)c2ccccc21 32940067 AEYNIXBPOYMAJR-AYBCGVOZSA-N 393.439 3.250 30 40 GGEB C=CCn1c(SCc2cc(=O)n3nc(C)sc3n2)nnc1-c1ccccc1 44029094 UEOPAAWMPFMKRV-UHFFFAOYSA-N 396.501 3.196 30 40 GGEB O=C1/C(=N\Nc2cccnc2)c2cc(C(F)(F)F)ccc2N1C1CSC1 223745126 RZKMJARBICEWLZ-HAHDFKILSA-N 378.379 3.379 30 40 GGEB N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409131108 NBVHLURTSSTFLV-RQZCQDPDSA-N 394.408 3.258 30 40 GGEB COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CSc2nc(C)n[nH]2)cc1 11710376 VXKHYEBZWBEPFV-UHFFFAOYSA-N 396.476 3.132 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@H]3CCCN3CC)c(=O)oc2c1 13655661 VTPSCOFQFUMNLP-QGZVFWFLSA-N 398.503 3.199 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cccc(OS(=O)(=O)c3ccccc3)c2)nc1 408879965 IBBBONWPIKPYQD-UDWIEESQSA-N 398.400 3.204 30 40 GGEB N#Cc1cccnc1N1CCC(CNC(=O)COc2ccc(Cl)cc2)CC1 70929250 XNITVIQUIQPTHZ-UHFFFAOYSA-N 384.867 3.018 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1Cc1ccc(C)cc1 32503311 JYEJBIWTOWZXEH-NNGLLJABSA-N 394.562 3.028 30 40 GGEB C=CCNC(=O)Cc1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 225986529 STCLPVKBLOTAPH-UHFFFAOYSA-N 378.881 3.010 30 40 GGEB N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1 4576893 VQEYVSCCZCMMLI-UHFFFAOYSA-N 384.175 3.144 30 40 GGEB CC/N=c1\scc(-c2ccc(O)c(C(N)=O)c2)n1/N=C/c1sccc1C 6785811 JDWRJZUFOVWQET-DPELKRARSA-N 386.502 3.194 30 40 GGEB C=CCOc1ccc(/C=N/n2c(O)nc3c([nH]c4cc(OC)ccc43)c2=O)cc1 16977736 RTBGVZJFYONOJL-WSDLNYQXSA-N 390.399 3.039 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(C)c1 20445184 OTMHBDCEIHWQHZ-SMXHQDLGSA-N 380.535 3.033 30 40 GGEB N#Cc1ccsc1NC(=O)COC(=O)Cc1csc(-c2ccccc2)n1 23050972 DRBYIAVOFYEBFJ-UHFFFAOYSA-N 383.454 3.468 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3cc4c(cc3Cl)OCO4)cc2C1=O 24928948 NCBAEDTYXVWKMG-UHFFFAOYSA-N 384.775 3.103 30 40 GGEB COc1ccc(Br)cc1/C=N\N1CCN(c2ccccn2)CC1 28349842 FFPPHRSSJJRTAY-MOSHPQCFSA-N 375.270 3.009 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(C)c1C 32506052 RRCHQUSIALGYBU-WMEZAZGNSA-N 380.535 3.095 30 40 GGEB COc1cccc(C/C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N\O)c1 36025449 ZAEQKAIPFRJKNP-OZHVRZOASA-N 398.459 3.425 30 40 GGEB biogenic COc1cccc(/N=C2\NN=C(c3cc4c(cc3F)NC(=O)CC4)CS2)c1 55048308 RAGWPFFIINLEQX-UHFFFAOYSA-N 384.436 3.447 30 40 GGEB C=C(Cl)COC(=O)[C@@H]1[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H]2C=C[C@H]1C2 100569038 LEWPSHYXLMDCIT-APYUEPQZSA-N 376.796 3.267 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@@H]2c2ccncc2)cc1 102860689 ZKNYGMNLZYXFEC-SELCWUDQSA-N 391.383 3.013 30 40 GGEB Cc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@]2(C#N)C(=O)O)cc1 252515903 OJTOXKODBHAJFI-SOLBZPMBSA-N 375.833 3.183 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O 3478019 BKZLHLOHQKHUKF-UHFFFAOYSA-N 381.457 3.322 30 40 GGEB C=CCOc1ccc([C@H]2CC(=O)Nc3c2c(=O)nc(SCCC)n3C)cc1 4944590 JPRNFPXILLZZIY-OAHLLOKOSA-N 385.489 3.321 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1cccs1 102859411 DAKZQLQYRWRESW-NLWPQFNZSA-N 385.441 3.054 30 40 GGEB NC[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 100236187 RIKMQHDJXWVJAA-VKHMYHEASA-N 393.143 3.435 30 40 GGEB C=CCNc1nnc(S[C@@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)s1 11392813 DXWKKGZXBQDUAO-JTQLQIEISA-N 377.495 3.214 30 40 GGEB O=C1/C(=C\c2ccc(O)cc2)N(Cc2cccnc2)S(=O)(=O)c2ccccc21 9420822 RJJONYQHRVLUAC-XDHOZWIPSA-N 392.436 3.216 30 40 GGEB C=CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)NC1=S 408963860 DKZYASRARQKERC-SFQUDFHCSA-N 396.443 3.217 30 40 GGEB COc1ccc(OC)c([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)c1 22608686 QBOOBJTXYCHZKV-MPBGBICISA-N 392.415 3.304 30 40 GGEB O=C(C[C@@H]1S/C(=N\CCc2ccccc2)NC1=O)Nc1cccc(Cl)c1 7883400 IVGOKBXFCAUCLK-INIZCTEOSA-N 387.892 3.499 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)OC)=C(N)OC3=C2C(=O)CCC3)cc1OCC 409132744 RBZYZLUBKQGUQA-GOSISDBHSA-N 399.443 3.114 30 40 GGEB C=CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224721611 CLTXBZHMHHHRPA-UHFFFAOYSA-N 395.864 3.273 30 40 GGEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccc(F)cc1)S(C)(=O)=O 13715448 BCYKQAKQLJUPKI-GOSISDBHSA-N 389.452 3.075 30 40 GGEB Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccccc4)n(C(C)C)c3nc12 2373727 UKTFBZAZGLCEJM-LHLOQNFPSA-N 397.438 3.151 30 40 GGEB C#CCOc1cccc([C@@H]2SCC(O)=Nc3c2c(C)nn3-c2ncccn2)c1 20721524 HUHLOQORDOCNAU-SFHVURJKSA-N 391.456 3.407 30 40 GGEB CN(C)c1ccc(/C=N\C[C@H](O)CSc2nc3c(cc2C#N)CCCC3)cc1 103708566 RAMXIBOZPYXAMC-PMIGXTIBSA-N 394.544 3.470 30 40 GGEB N#Cc1ccccc1-c1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1 25046289 QEGYKEDBAJWVRP-JOCHJYFZSA-N 375.472 3.048 30 40 GGEB COc1cc(OC)c(OC)cc1/C=C/C(=O)c1cccc(N2CCOCC2)c1 11334636 IFKRTZFHKGFOBF-BQYQJAHWSA-N 383.444 3.445 30 40 GGEB COc1cccc(/C=C/C(=O)c2cc(OC)c(OC)cc2CCNC(C)=O)c1 4041053 OAFZOXDJBZOBRF-CMDGGOBGSA-N 383.444 3.287 30 40 GGEB biogenic C=CCOc1ccc(Br)cc1/C=C1\SC(NC(C)=O)=NC1=O 4551382 NPVCRLBFQHAHPM-JYRVWZFOSA-N 381.251 3.120 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)COC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 6590856 YDLKGKKODDMAGA-HXUWFJFHSA-N 389.452 3.245 30 40 GGEB CCOc1cc(Br)cc(/C=N/Nc2ncccc2[N+](=O)[O-])c1O 4710866 ORJGXCSYZYFNSL-CAOOACKPSA-N 381.186 3.303 30 40 GGEB CCOC(=O)c1cc(C#N)c(S[C@H](C)C(=O)NC2CCCCC2)nc1C 8394686 ZCBZZBIAUIXCLJ-CYBMUJFWSA-N 375.494 3.368 30 40 GGEB N#Cc1cccc(NC(=O)c2cccc(NC(=O)N[C@@H]3CCNC34CCC4)c2)c1 528674119 FZGBEZWBDVSUNL-LJQANCHMSA-N 389.459 3.217 30 40 GGEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1ccccn1 13550300 AMCQDZUENNMXGP-LJQANCHMSA-N 397.475 3.293 30 40 GGEB C/C(=N/NS(=O)(=O)c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1 32564187 CGSRDWBANIZSDT-YBEGLDIGSA-N 398.238 3.060 30 40 GGEB COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@@H]5[C@H]23)cc1 100777001 RWBIPIUHWVWIJW-VXWOKFPDSA-N 399.531 3.353 30 40 GGEB Cn1ccnc1[C@@H](NC(=O)CNc1ccc(C#N)cc1)c1ccc(Cl)cc1 58325006 UHEBPFNGWCSHLC-IBGZPJMESA-N 379.851 3.263 30 40 GGEB COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@]45O[C@H]5[C@H]23)cc1 100776998 RWBIPIUHWVWIJW-XKDAGQKASA-N 399.531 3.353 30 40 GGEB Cc1cccc(NC(=O)C[C@@H]2S/C(=N\c3ccc4c(c3)OCO4)N(C)C2=O)c1 4714829 WWRHRJAXIWOLPM-WXVFVKJXSA-N 397.456 3.314 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccco1 19973954 MXKHKAXOPSTYFH-LJQANCHMSA-N 398.459 3.208 30 40 GGEB O=C1C[C@@H](c2cccs2)CC2=C1[C@@H](c1ccccc1C(=O)O)n1ncnc1N2 18196366 XGTBKDMGDFDMNO-BBATYDOGSA-N 392.440 3.454 30 40 GGEB N#CCCSc1ccccc1NC(=O)CCn1ncc(=O)c2ccccc21 95953466 DDMKEZCLUXPYQE-UHFFFAOYSA-N 378.457 3.431 30 40 GGEB Cc1cc(Oc2ncccc2C#N)ccc1NC(=O)[C@H]1CCc2nnc(C)n2C1 89589085 UUTOAMCPYNGPPZ-INIZCTEOSA-N 388.431 3.155 30 40 GGEB Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc4c(c3)n(C)c(=O)n4C)S2)c1 408720672 BWZHFNGPTGMTEP-WQRHYEAKSA-N 392.484 3.385 30 40 GGEB O=C(/C=C/N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)c1ccc(Br)cc1 33911390 GERFSKUJBUUGKO-FNHJVCLDSA-N 399.288 3.427 30 40 GGEB COc1ccc(/C=C2/S/C(=N\n3cnnc3)N(c3ccccc3)C2=O)cc1 83263372 UUESAUCHRVNZLY-AVJLYGTLSA-N 377.429 3.227 30 40 GGEB CN(C)/C=C(\C(=O)c1ccccc1)c1nnnn1-c1ccc(Br)cc1 4369367 INJGJWLQCJCVRA-FOWTUZBSSA-N 398.264 3.210 30 40 GGEB O=C(Nc1cccc(C#Cc2ccccn2)c1)c1c[nH]c(C(=O)N2CCCC2)c1 51067005 FFCMGTMSSGDPFC-UHFFFAOYSA-N 384.439 3.298 30 40 GGEB C=CCn1c(S[C@@H](CC)C(=O)Nc2nnc(C)s2)nnc1-c1ccco1 4736179 SYOXXQUQZTZIHN-LBPRGKRZSA-N 390.494 3.393 30 40 GGEB O=C1C(Cl)=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)C(=O)c2ccccc21 4703347 SPHZCDKPHYBGQR-UHFFFAOYSA-N 397.818 3.246 30 40 GGEB aggregator Cc1ccc(C(=O)C2=C(O)C(=O)N(C[C@@H]3CCCO3)[C@H]2c2ccc(O)cc2)cc1 19138155 VVCQSEUUWSLXTE-ICSRJNTNSA-N 393.439 3.458 30 40 GGEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(O[C@H](C)C(=O)O)c(OC)c2)C1=O 409011877 OTJJCABDOORBGF-FPQVCSMYSA-N 377.418 3.158 30 40 GGEB Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3cccc(Cl)c3)[C@@]2(C#N)C(=O)O)cc1 218382079 QAPGDBRNYPOZDN-SOLBZPMBSA-N 375.833 3.183 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225116327 OZJHPUJCXPNQFR-UHFFFAOYSA-N 379.409 3.002 30 40 GGEB C=CCOc1ccc(C(=O)N2CCC3(CC2)NC(=O)c2ccccc2N3)cc1 13566353 BUJFDDVEQGONGB-UHFFFAOYSA-N 377.444 3.039 30 40 GGEB O=C(O)c1ccccc1-c1ccc(/C=N/N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)o1 169367797 NAOUXJUEBLIFEY-FNHZDMKPSA-N 390.395 3.176 30 40 GGEB CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C(C)=C1C(C)=O 12419577 NGRNJDZEMYQDRM-LJQANCHMSA-N 396.409 3.499 30 40 GGEB C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccc(CC)cc3)no2)c1=O 38487847 DSJCWSRFMWQUEB-UHFFFAOYSA-N 388.427 3.010 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccc(OC)cc1 102930668 SNOSVSUMMQIRRQ-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccccn2)/C1=C(\O)c1ccc(F)cc1 102893912 UFCWSYFXRZXPEL-LFVOPCPISA-N 389.386 3.238 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccc(O)c(O)c1 57478227 BKJWGOAYOKERMR-SFHVURJKSA-N 377.396 3.229 30 40 GGEB C[C@H](NC(=O)c1ccoc1)/C(O)=N/c1nc(-c2ccccc2OC(F)F)n[nH]1 58314227 VXNSKPZSWBGBIO-VIFPVBQESA-N 391.334 3.073 30 40 GGEB O=C1C(=O)N2C(=C1C(=O)N1CCCCCC1)c1ccccc1CC21CCCC1 2228549 WOQKBRRKLKXKMI-UHFFFAOYSA-N 378.472 3.081 30 40 GGEB C/C(=N/N=C1/NC(=O)[C@H](Cc2ccccc2[N+](=O)[O-])S1)c1ccc(F)cc1 12843827 LNKAFQIZKGNOJN-SJJOQSKNSA-N 386.408 3.288 30 40 GGEB N#Cc1cc(N)c(N2CCN(c3ccc(F)cc3)CC2)n1Cc1ccccc1 225870881 GTZCLYHKCDAQRZ-UHFFFAOYSA-N 375.451 3.456 30 40 GGEB COc1cc(/C=N\N=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 13154330 DDYCVNVXONZPBT-IINORCHSSA-N 388.420 3.191 30 40 GGEB CCOC(=O)N1C[C@@H](C)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 8663704 UHQXUOPXEWVVTK-RYMPHZRMSA-N 379.373 3.158 30 40 GGEB O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccccn1)c1ccc(F)cc1 6499143 WFWDTJVRZWLOLA-IBGZPJMESA-N 389.386 3.394 30 40 GGEB COc1ccccc1Cn1c(=O)c2ccccc2n2c(SCCC#N)nnc12 9154183 ZWQQHHBQBZFQTM-UHFFFAOYSA-N 391.456 3.107 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NCc3cccnc3)c(=O)oc2c1 6624174 MCAKRKVLRHBAHF-UHFFFAOYSA-N 378.428 3.310 30 40 GGEB biogenic O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/Nc2nc3ccccc3s2)c1 408999989 WMDBNAVHEYHNJC-XDHOZWIPSA-N 383.433 3.487 30 40 GGEB COc1ccc(/N=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c(OC)c1 408806338 BBOYUVNOVYLJIW-AYBNGVQBSA-N 398.459 3.128 30 40 GGEB CC(=O)Oc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409406049 PSPGZCOIOUGTSI-LWWSYDQCSA-N 393.226 3.060 30 40 GGEB CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 32503435 APFARXWWTBHVKD-WMEZAZGNSA-N 380.535 3.212 30 40 GGEB N#Cc1c(F)cccc1NCCNC(=O)Cc1ccc(Br)cc1 47332801 UUDOIAZMAQGGHI-UHFFFAOYSA-N 376.229 3.231 30 40 GGEB C=C(C)COc1ccc([C@@H](CC(=O)OC)c2oc(COC)cc(=O)c2O)cc1 96113847 RDJIJMHRFSGEEF-QGZVFWFLSA-N 388.416 3.142 30 40 GGEB biogenic Cc1cc(C)c(C#N)c(SCCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)n1 13579589 ZFWIEELBGGRTDM-UHFFFAOYSA-N 399.428 3.387 30 40 GGEB C=CCNC(=O)c1cc(I)ccc1NC(=O)c1ccco1 2182487 VVEGPSFXUCVXJI-UHFFFAOYSA-N 396.184 3.052 30 40 GGEB C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc3C2)cc1 4173433 KAYINCPGVRBORX-UHFFFAOYSA-N 396.512 3.248 30 40 GGEB CCOc1ccc(N(CCC#N)C(=O)COC(=O)c2n[nH]c3ccccc23)cc1 8725024 HONFTBOXVOIDIX-UHFFFAOYSA-N 392.415 3.065 30 40 GGEB COc1cc([C@H]2C3=C(NC(=S)N2C)c2ccccc2C3=O)cc(OC)c1OC 12949860 INTJRXBMPAHYKL-SFHVURJKSA-N 396.468 3.181 30 40 GGEB COc1ccc(-c2nc(C#N)c(N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)o2)cc1 32124493 WHAAZWMAWAOUON-ZBFHGGJFSA-N 388.427 3.007 30 40 GGEB biogenic O=C(/C=C/c1cccc2c1OCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 40139698 PHYKFLNVXHZJIT-FMIVXFBMSA-N 399.468 3.486 30 40 GGEB CCOc1cc(Br)c(CC(=O)/N=C2/NCCS2)cc1OCC 57808548 MNFUIEIYQDXSMI-UHFFFAOYSA-N 387.299 3.008 30 40 GGEB CCn1c(=O)c(/C(C)=N/NC(=S)Nc2ccccc2)c(O)c2ccccc21 100357598 HETXGLPGLOTZJR-LPYMAVHISA-N 380.473 3.438 30 40 GGEB N#C[C@@]1(C=O)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(Br)cc1 225643266 SNTUKNOLCVFLLZ-ULQDDVLXSA-N 390.258 3.098 30 40 GGEB Cc1ccc(-c2ccc(C=NN3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)cc1[N+](=O)[O-] 254429117 AEMHJOZHNODFDD-KODHJQJWSA-N 391.383 3.304 30 40 GGEB CCOC(=O)COc1ccc(-c2c3c([nH]c(=N)c2C#N)CCCC3)cc1OCC 408980836 SVRNDTKZBFPODM-UHFFFAOYSA-N 395.459 3.252 30 40 GGEB CCn1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1ccccc1O 409410919 AKNQJYPNTPCQNO-UHFFFAOYSA-N 379.445 3.273 30 40 GGEB O=S(=O)(/N=C(\O)[C@H]1C[C@H]1c1ccc(F)cc1)c1ccc2c(c1)OCCO2 48461803 YYKNWKBALRBNLM-GJZGRUSLSA-N 377.393 3.046 30 40 GGEB C(=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12)\c1ccc(N2CCOCC2)cc1 5072438 FAVBKZLVHLCDQV-MFKUBSTISA-N 399.458 3.303 30 40 GGEB CN1/C(=C\C(=O)COC(=O)Cn2cnc3ccccc32)C(C)(C)c2ccccc21 18068736 HLLKLWFLWAHAIX-MTJSOVHGSA-N 389.455 3.460 30 40 GGEB C[C@H](/C=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1 8687999 YDKUWDQBQNEKAB-NFECSFHCSA-N 390.534 3.013 30 40 GGEB CCOC[C@@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218106262 LNERLULUPMWVLJ-HKBOAZHASA-N 385.485 3.490 30 40 GGEB O=C(NCCC/C(O)=N/S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1 40129654 BUOUIPRPRIHLME-UHFFFAOYSA-N 380.853 3.195 30 40 GGEB N#Cc1nc(-c2cccc(F)c2)oc1N1CCN(CCc2ccccn2)CC1 96346388 KIUBCNQGLCDPJR-UHFFFAOYSA-N 377.423 3.112 30 40 GGEB CN(C)c1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 4615495 CZWALWSGPQPRHA-XWDORNJCSA-N 375.432 3.261 30 40 GGEB Cc1nc2c(C#N)cnn2c(O)c1CC(=O)N1CC[C@@H](C)Sc2ccccc21 40115044 CDBBNXRRSVGPCX-GFCCVEGCSA-N 393.472 3.075 30 40 GGEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3c(C#N)cnn32)c1 40286073 BKXSIQVCDZYIPM-LJQANCHMSA-N 378.432 3.430 30 40 GGEB N#CC(CCc1ccccc1[N+](=O)[O-])(CCc1ccccc1[N+](=O)[O-])C(N)=O 1666520 KGLQBCZBYLVUQX-UHFFFAOYSA-N 382.376 3.064 30 40 GGEB Cc1csc([C@H](C#N)C(=O)COC(=O)c2ccc3nc(C)c(C)nc3c2)n1 6606702 QSDRUBKFRWWSJK-CQSZACIVSA-N 380.429 3.045 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(O)c1 6238816 OSHPEMJSOKTEDK-LJQANCHMSA-N 397.427 3.016 30 40 GGEB biogenic CNC(=O)N(O)[C@H]1N(/N=C/c2c(F)cccc2Cl)C(=S)SC1(C)C 4795035 UYDOWVVNHQCTFT-MBCCIFHSSA-N 390.893 3.282 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1C[C@@H]1c1ccccc1F)c1ccc2c(c1)OCCO2 84502115 QOZDVFJQTOPAJW-ZIAGYGMSSA-N 377.393 3.046 30 40 GGEB C=CCSc1nnc(NC(=O)C[C@H](NC(C)=O)c2ccc(OC)cc2)s1 8751413 YTQJTXDZWMSFCV-AWEZNQCLSA-N 392.506 3.031 30 40 GGEB C=CCN(Cc1cccs1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl 9723279 OZECBJVYKMIOBX-UHFFFAOYSA-N 398.937 3.480 30 40 GGEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1cccc(F)c1 225870525 YISAMLJJZAYFBY-UHFFFAOYSA-N 375.451 3.456 30 40 GGEB N#Cc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)nc1 20230272 WAZZWPULVAEFGC-UHFFFAOYSA-N 375.354 3.326 30 40 GGEB C#Cc1cccc(NC(=O)[C@H](C)NC(=O)c2ccc(Br)s2)c1 40153445 BNILPOUIPBGSSH-JTQLQIEISA-N 377.263 3.249 30 40 GGEB CN/C(=N\c1ccc(F)cc1)S[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 100646999 JJLJGQZRNRLTCN-MRXNPFEDSA-N 387.436 3.107 30 40 GGEB N#Cc1nc(-c2ccc(F)cc2)oc1N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 32124149 IZHZWLLTROYCKR-HIFRSBDPSA-N 376.391 3.138 30 40 GGEB biogenic CCOC(=O)C1=C(C)N(Cc2ccccc2)[C@]2(O)C1=CC(=O)C(Cl)=C2Cl 1571673 NBAFDHRUNIOERP-IBGZPJMESA-N 394.254 3.226 30 40 GGEB COC(=O)[C@H](C#N)c1nc2ccccc2nc1NCCCN1CCCC[C@H]1C 34798127 TYMYNMIHHIMPRS-HZPDHXFCSA-N 381.480 3.086 30 40 GGEB C=CCn1c(SCC(=O)c2ccc3[nH]c(=O)oc3c2)nnc1-c1ccoc1C 8231562 DHCXQLKSRPEMHD-UHFFFAOYSA-N 396.428 3.442 30 40 GGEB CN(CCC#N)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N 3285460 ITEQBYXTGWZQPZ-UHFFFAOYSA-N 379.441 3.238 30 40 GGEB CN(CCc1ccccn1)C[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@@H]21 12661780 JMHALWDHIFYNGT-WFTGQSOZSA-N 384.520 3.083 30 40 GGEB biogenic N#Cc1ccc(CN2CCCN(CCC(=O)Nc3cccc(F)c3)CC2)cc1 25933991 KWUZPAFLIWTSJZ-UHFFFAOYSA-N 380.467 3.234 30 40 GGEB CCOC(=O)c1c(C)c2ccccc2n2cc(CN3CCOCC3)c(C#N)c12 48229440 ZIMLBSGYJXQCPA-UHFFFAOYSA-N 377.444 3.282 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)ccc1O 408898882 NBPPLXBGFLHULY-LDADJPATSA-N 376.412 3.404 30 40 GGEB COc1ccc(CNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)[C@@]45O[C@H]5[C@H]23)cc1 4042085 CSUXWMCNCBHXHE-KBZKQCKASA-N 385.504 3.310 30 40 GGEB biogenic C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2Br)C1=O 21242177 WHJLBNQQORQKDB-GOSISDBHSA-N 384.233 3.288 30 40 GGEB CSc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccccc2)s1 102571258 CZJRVYFHODWAET-MNWMYKRDSA-N 399.453 3.479 30 40 GGEB Cc1cc(NC(=O)CO/N=C/c2ccc3c(c2)OCO3)ccc1Br 3579215 HRKGYHIQVABCNF-UFWORHAWSA-N 391.221 3.475 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@H]1c1ccccn1 5408676 KMNCXZHRKDSUQS-SELCWUDQSA-N 399.878 3.108 30 40 GGEB N#Cc1c(C(F)(F)F)cc(O)nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 7985203 WOGWWCOPIBBGTN-UHFFFAOYSA-N 398.322 3.317 30 40 GGEB C=CCN1C(=O)/C(=C\c2cccc(OC)c2)C(=O)N(c2ccccc2)C1=S 408730172 OICPAFFXVPBDKA-NBVRZTHBSA-N 378.453 3.425 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(CC)cc1 35290432 VBRUJLQUINYKOH-UHFFFAOYSA-N 379.489 3.286 30 40 GGEB C=CCNC(=O)c1cc(N(C)S(=O)(=O)c2ccc(OC)cc2)ccc1Cl 224348560 OQXNEVZQWAILOD-UHFFFAOYSA-N 394.880 3.090 30 40 GGEB Cc1cc(C)c(S(=O)(=O)N2CCC(Oc3ncccc3C#N)CC2)c(C)c1 96102886 VSTKLOPEJPUTHK-UHFFFAOYSA-N 385.489 3.111 30 40 GGEB C=CCOc1ccccc1CN(CC(=O)N1CCNC1=O)c1ccc(C)c(C)c1 23015668 ONLGJYICHHFXSE-UHFFFAOYSA-N 393.487 3.427 30 40 GGEB CCSc1nc2c(c(=O)[nH]1)[C@H](c1cccc(OC)c1)C1=C(CCCC1=O)N2 6001752 UQLMPAUQYDKRFF-OAHLLOKOSA-N 383.473 3.455 30 40 GGEB CCOC(=O)c1ccc(N(CC[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1 4946207 RDFFQYVCTRUJES-GOSISDBHSA-N 389.473 3.156 30 40 GGEB Cc1c(/C=N/c2ccc(NCC(=O)O)cc2)c(=O)n2c([nH]c3ccccc32)c1C#N 100929644 QMODDDKWORHBPT-BHGWPJFGSA-N 399.410 3.208 30 40 GGEB C=CCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)ccc2c1=O 12631739 XVUPKNCORDKBFX-UHFFFAOYSA-N 394.456 3.456 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408988792 RPSLPZJDVXVBFG-BOPFTXTBSA-N 394.814 3.327 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)n1 8193444 SLUADHLYFGDKHX-AWEZNQCLSA-N 383.473 3.311 30 40 GGEB Cc1ccc(CN(C)CC(=O)Nc2c(C#N)c(C)c(C)n2C[C@@H]2CCCO2)o1 8850638 DNZMMOYTLMWVEJ-KRWDZBQOSA-N 384.480 3.128 30 40 GGEB C=CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc2c(c1)OCCO2 224832513 TYTYTTHGIJGRGM-UHFFFAOYSA-N 375.446 3.156 30 40 GGEB CC1(C)Cc2c(C#N)c(NCc3ccccc3)nc(N3CCOCC3)c2CO1 95473135 URUDBMKYAVNMAV-UHFFFAOYSA-N 378.476 3.253 30 40 GGEB COc1ccc(OC)c([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c1 85409045 VCECBJIONXVWGO-QGZVFWFLSA-N 390.399 3.126 30 40 GGEB COc1cccc(/C=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1O 1059225 KIOBGUWCPGZISU-FYJGNVAPSA-N 383.429 3.347 30 40 GGEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2ccccn2)cc1 9763887 HXGVTJXHLMHAEH-GOSISDBHSA-N 376.368 3.466 30 40 GGEB O=C(OCC#Cc1ccccc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 40157156 BDQOSOHKLOAIPM-NRFANRHFSA-N 385.419 3.442 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)N(Cc3ccc(F)cc3)C3CC3)cc2C1=O 32744771 CAASYCBXLABJCB-UHFFFAOYSA-N 378.403 3.413 30 40 GGEB Cc1cc(S[C@H](C)C(=O)N2CCOCC2)n2c(nc3ccccc32)c1C#N 9032003 CDAAHAUYCNBSOC-CQSZACIVSA-N 380.473 3.007 30 40 GGEB C=CCNS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 20767048 MHKRNLKQDAHOCC-UHFFFAOYSA-N 390.892 3.397 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1C(=O)/C(O)=N/c1n[nH]c(-c2ccco2)n1 12756538 MTOBGXBZZVADNR-UHFFFAOYSA-N 376.376 3.338 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1C 4468771 CIBOUUKJVMGGBR-QHCPKHFHSA-N 391.471 3.257 30 40 GGEB CCN1C(=O)/C(=C\c2cccs2)S/C1=N\S(=O)(=O)c1cccs1 9667243 XPBZOGHDQKRVNM-VDRCGHCRSA-N 384.529 3.491 30 40 GGEB CC(=O)O[C@H]1C[C@@H]2[C@H]3CC[C@@H](C(=O)CO)[C@@]3(C)CC[C@H]2[C@@]2(C)CCC(=O)C=C12 254740667 XRXDCBIIKLNRSQ-QJZPYTFNSA-N 388.504 3.238 30 40 GGEB Cc1c(N/N=C(\C#N)c2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C 5378093 MFRHMPHCXZOQBT-XQNSMLJCSA-N 388.456 3.434 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]13O[C@@H]3C[C@@H]2c1ccc(=O)oc1 119422082 LFLJTMIVTFTLOA-NJQHVSQQSA-N 398.499 3.437 30 40 GGEB biogenic COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCC(C)CC1 4889191 DTBUPBBUEMGDBU-HOTGVXAUSA-N 382.464 3.051 30 40 GGEB N#Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1 7050822 MRLMNTHJRSMSRU-UHFFFAOYSA-N 391.452 3.289 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)N(C)CCOc3ccc(Cl)cc3)cc2C1=O 15990669 OQYJPDDBHMYZQC-UHFFFAOYSA-N 398.846 3.273 30 40 GGEB COc1ccc(/C(O)=N/S(=O)(=O)c2ccc(C#N)cc2C(F)(F)F)cc1 83937788 GKSBFRWQUDUPSV-UHFFFAOYSA-N 384.335 3.279 30 40 GGEB C=CCn1c(COc2ccc(Br)cc2)nnc1S[C@@H](C)C(=O)O 27517365 YRMSAQOQZJUUMS-JTQLQIEISA-N 398.282 3.371 30 40 GGEB C#CCN1C(=O)[C@@]2(CC(O)=Nc3c2cnn3-c2ccccc2)c2cc(C)ccc21 32103020 YUNDARUXYJJQQL-QHCPKHFHSA-N 382.423 3.438 30 40 GGEB N#Cc1cc2c([nH]c1=O)CCN(C(=O)c1cccc(OCc3ccccc3)c1)C2 225682310 MEMGMXKJLYQYGV-UHFFFAOYSA-N 385.423 3.024 30 40 GGEB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccc(C#N)cc2)CCO1 96116727 FCBXJOKJNXLPGA-YOEHRIQHSA-N 398.488 3.365 30 40 GGEB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1F)c1nc(C#N)c(C#N)nc12 100198416 SNRYUDSNEJQOQQ-NHCUHLMSSA-N 375.407 3.327 30 40 GGEB Cc1sc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c(C#N)c1C 5298882 BJKFUHFEXJUBQP-CYBMUJFWSA-N 395.531 3.090 30 40 GGEB CCOCCC/N=C(\NCc1ccc(OC)cc1)NCc1csc(C)n1 58329434 MWTRNGXHODPOJW-UHFFFAOYSA-N 376.526 3.122 30 40 GGEB CCn1c(=O)c2ccccc2n2c(COc3ccc(C#N)cc3Cl)nnc12 29512891 FLJNQOXWRACEPQ-UHFFFAOYSA-N 379.807 3.168 30 40 GGEB C#CCn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 9111171 GBLAHGAVOQZQQV-LDADJPATSA-N 387.370 3.080 30 40 GGEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1OC(C)(C)C 409404396 KWSHIBKLEYPKFK-STEAMIEHSA-N 382.460 3.404 30 40 GGEB C#CCOc1c(Cl)cc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1OC 211543726 YUBFTOIDEDQORP-JYRVWZFOSA-N 380.809 3.270 30 40 GGEB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)/N=C3\CCCCCN3)c2)cc1 13040658 VCHKNYLWUWLTCR-UHFFFAOYSA-N 385.489 3.498 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)o1 13161831 LOBJFYNPGDUUKX-MRXNPFEDSA-N 379.347 3.300 30 40 GGEB COc1ccccc1/C=C/C(=O)c1c2c(c(OC)c3c1OCO3)CN(C)CC2 20112557 MYPYEIOGLXPRQA-CMDGGOBGSA-N 381.428 3.317 30 40 GGEB biogenic CC1(C)Cc2c(C#N)c(OCCN3CCOCC3)nc(-c3ccccc3)c2CO1 20677723 YZSJICMBQMHBJT-UHFFFAOYSA-N 393.487 3.183 30 40 GGEB Cc1cc(C)c2c(-c3ccccc3)nc(SCC(=O)N(C)CCC#N)n2n1 21722522 BPMBDVLDTLZHQP-UHFFFAOYSA-N 379.489 3.477 30 40 GGEB COc1ccc([C@@H]2CCCN2C[C@H](O)COc2ccc(C#N)cc2)c(OC)c1 37200156 UMXZHSKIJGXQOE-UWJYYQICSA-N 382.460 3.152 30 40 GGEB N#Cc1c(SCC(=O)NC[C@@H]2CCCO2)nc2c(c1-c1ccco1)CCCC2 12968926 ZYHIIGFUJFHCOB-AWEZNQCLSA-N 397.500 3.479 30 40 GGEB COc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)ccc1O 409134688 XCMXZUPRMIVXGJ-DHDCSXOGSA-N 388.832 3.455 30 40 GGEB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2C#N)c(F)c1F 408628165 QDVLDPKATWGLNP-UHFFFAOYSA-N 383.326 3.250 30 40 GGEB CCc1ccc(OCCCOc2c(/C=N/NC(N)=S)cccc2OC)cc1 6604448 OWNMSNBRKMLDQM-HYARGMPZSA-N 387.505 3.273 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)COc3ccc(F)cc3Cl)CC2)cc1 19600150 XTQQGPFJRHOCMG-UHFFFAOYSA-N 387.842 3.074 30 40 GGEB N#CCOc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 16066146 LUUUBFIESXCLIP-INIZCTEOSA-N 378.432 3.472 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@H]2c2ccc(F)cc2)o1 17146802 LOBJFYNPGDUUKX-INIZCTEOSA-N 379.347 3.300 30 40 GGEB COc1ccccc1NC(=O)COc1ccc(C(=O)OCCCC#N)cc1OC 21712331 YTNPZRGKUDFNPL-UHFFFAOYSA-N 398.415 3.182 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 102928120 YQGKIBYTSKARIW-GHNGSUTGSA-N 396.399 3.053 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N/c1nnc(C)s1 100151075 BDQZTARHWDBJBR-LEOYLKIESA-N 386.458 3.365 30 40 GGEB N#Cc1ccccc1OCC(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11534918 UNFDAXZRNVFNFZ-UHFFFAOYSA-N 375.384 3.099 30 40 GGEB C=CCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O 12886679 NPDJUBXKVYCBNP-UHFFFAOYSA-N 390.530 3.424 30 40 GGEB CN(Cc1ccc(OC(F)(F)F)cc1)S(=O)(=O)Cc1ccccc1C#N 12908511 IKKBVOVZUDBTRR-UHFFFAOYSA-N 384.379 3.419 30 40 GGEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408934169 CRZRKJSTJYOAKM-BOPFTXTBSA-N 394.814 3.327 30 40 GGEB C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCC(=O)OC 408806798 BHPAVKONUWBVJB-GDNBJRDFSA-N 391.445 3.032 30 40 GGEB Cc1ccc(S(=O)(=O)[C@H]2[C@H](c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218385292 QRNWOCVUAQFZNO-XYJFISCASA-N 375.833 3.183 30 40 GGEB C=CCOc1cccc(NC(=O)CN(c2cccc(C)c2C)S(C)(=O)=O)c1 218280648 CKGFUECHLCNEJO-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB CC(C)CC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 101302393 NCJMZROTOYPMFB-YTLYVFJMSA-N 394.562 3.458 30 40 GGEB C=CCn1c(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104682558 JJTSQVQWMIWBHB-AESZEHBQSA-N 398.532 3.011 30 40 GGEB COc1cc([C@H]2NC(=S)N(N)C(C)=C2C(C)=O)ccc1OCc1ccccc1 107837503 XAKFJOMNAWXTML-HXUWFJFHSA-N 397.500 3.242 30 40 GGEB C=C(Br)CNC(=O)c1cnn(-c2ccc(F)cc2)c1-n1cccc1 58004189 JMEOVUUBUNLWKN-UHFFFAOYSA-N 389.228 3.441 30 40 GGEB C=CCNC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1CC=C 3401183 PUMYAUMOTCYHHM-UHFFFAOYSA-N 387.486 3.298 30 40 GGEB C=CCn1c(C)c(/C=c2\sc3nc(C)c(C)c(=O)n3c2=O)c2cccc(C)c21 409050444 VRZUFZAZWLPWIJ-WQRHYEAKSA-N 391.496 3.038 30 40 GGEB O=S(=O)(/N=C(\c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)cc1 13108348 VZPYFYVTFCSWGR-LVZFUZTISA-N 399.299 3.461 30 40 GGEB COc1cccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)c1 18107182 LUKHVYWOHOTHHJ-VFOOBRQFSA-N 387.436 3.424 30 40 GGEB COc1ccc(N/N=C(/Sc2nnnn2-c2ccc(C)cc2)C(C)=O)cc1 4859973 MRRMQNQIXOKKEK-LVZFUZTISA-N 382.449 3.086 30 40 GGEB C=CCn1c(SCc2cc(C(C)=O)ccc2OC)nc2ncccc2c1=O 31614953 RFYLMWJLXOTWCY-UHFFFAOYSA-N 381.457 3.481 30 40 GGEB N#Cc1ccc(-c2ccc(OCC(=O)NN3Cc4ccccc4C3=N)cc2)cc1 102189099 WOPOBXJZRVRHER-UHFFFAOYSA-N 382.423 3.476 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2cccc(O)c2)/C1=C(\O)c1cccs1 102508565 IWMNRIYNAIEGAG-SQUHQTGPSA-N 385.441 3.054 30 40 GGEB CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccco2)cc1 102861101 COWPWAPHSMUXSM-LFVOPCPISA-N 398.459 3.052 30 40 GGEB CC(=O)OC1=C(C(C)=O)[C@@H](c2ccccc2)N(c2ccc(OC(C)=O)cc2)C1=O 78547152 KZPGKQUQYZGEKL-HXUWFJFHSA-N 393.395 3.106 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 102787582 GEQAWOZJEYGDBP-NDXPETLFSA-N 389.521 3.264 30 40 GGEB Fc1ccc(/C=N/OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 2420034 COEOUQRNHCLMAU-YSURURNPSA-N 387.378 3.153 30 40 GGEB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccccc2C#N)C1=O 2651497 BGQRJKCXYVRIKT-SFHVURJKSA-N 384.233 3.288 30 40 GGEB COc1ccccc1OCC(=O)Nc1c(C#N)c(C)c(C)n1-c1ccccn1 9061233 AAXHGULXEGXWHO-UHFFFAOYSA-N 376.416 3.387 30 40 GGEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)cc1C 408904712 NKUUYBRMDLQRLS-YVLHZVERSA-N 381.457 3.059 30 40 GGEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1C 5488305 TXKOMLCMGVWBOR-AYGAQVIVSA-N 386.926 3.050 30 40 GGEB C#CCOc1c(CC=C)cc(/C=C2/SC(=O)N(CC#C)C2=O)cc1OCC 4616518 FFZRRHQHRDEKTJ-NBVRZTHBSA-N 381.453 3.495 30 40 GGEB O=C(O)c1ccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 408939733 UDMNATWRBBIFBH-YBFXNURJSA-N 395.331 3.438 30 40 GGEB CC(=O)c1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408962239 RGMMFCKXIJVXFT-ZVHZXABRSA-N 389.455 3.453 30 40 GGEB C#CCOc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Cl 409402356 DYVHLSYOHJUPSS-GVAFMPQTSA-N 389.238 3.146 30 40 GGEB C=CCNC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CC2=NCCc3ccc(C)cc32)C1 49590549 DKLSWYAOZNPMJW-ROUUACIJSA-N 383.492 3.039 30 40 GGEB biogenic,in-vitro Cc1cccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCCCC(=O)O)cc2)c1 12768484 NHZAYHYOSFFHOQ-KPKJPENVSA-N 387.457 3.034 30 40 GGEB Cc1ccc(S(=O)(=O)O/N=C2/C=C3c4ccccc4CC(C)(C)N3C2=O)cc1 2271699 FQVIPTMNPWDZHJ-PYCFMQQDSA-N 396.468 3.274 30 40 GGEB N#Cc1ccccc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1 3371874 AEKMWULVYNVDQW-UHFFFAOYSA-N 389.367 3.199 30 40 GGEB COc1ccccc1NC(=O)CCN1CCCN(Cc2ccc(C#N)cc2)CC1 25934010 JMFVQZNIXLIPSZ-UHFFFAOYSA-N 392.503 3.103 30 40 GGEB COc1ccc(/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1 4737603 PNKJXVGZTYFWQW-CJLVFECKSA-N 395.511 3.307 30 40 GGEB CCSc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)C1=C(C[C@H](C)CC1=O)N2 14165112 LWYLDPIIWMNDGL-DYZYQPBXSA-N 386.477 3.372 30 40 GGEB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O 3595369 HXNYEWHOYGYRNG-HXUWFJFHSA-N 396.834 3.007 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1NCCn1c(=S)[nH]c2ccc(F)cc2c1=O 4657987 JHMBBKPLNNDPLL-UHFFFAOYSA-N 385.380 3.090 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C(=O)N2CCCCC2)cc1 10460239 RTMXUEZBNWJUJP-QGZVFWFLSA-N 391.471 3.268 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1cccc(OC)c1 102800072 NLMODBYISCAILE-LFVOPCPISA-N 381.428 3.072 30 40 GGEB COc1cc(C#N)cc(I)c1OC(=O)c1ccccc1 1001990 ATOCSVNINXBIMM-UHFFFAOYSA-N 379.153 3.391 30 40 GGEB CC[C@@H](C)[C@@H](C(=O)OCc1cccc(C#N)c1)N1C(=O)c2ccccc2C1=O 24978466 QGCXKASVYAMEHJ-KUHUBIRLSA-N 376.412 3.312 30 40 GGEB CN(CCC#N)c1ccc(CNC[C@H]2CN(Cc3ccccc3)CCO2)cc1 9338990 KRWTWZSWUMUXAB-QHCPKHFHSA-N 378.520 3.027 30 40 GGEB CC(C)c1ccc(OCC(=O)O/N=C(\N)c2ccncc2)c(Br)c1 4178337 ZOHBCHSCMQZWJL-UHFFFAOYSA-N 392.253 3.210 30 40 GGEB Cc1ccc(C=NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1Br 408919193 UPROOTRZZWRIRW-OCKGCPIVSA-N 385.261 3.145 30 40 GGEB N#CCOc1ccccc1/C=C1\SC(=Nc2ccc([N+](=O)[O-])cc2)NC1=O 408809786 JCDDDNQLQYCSRR-WJDWOHSUSA-N 380.385 3.389 30 40 GGEB COc1ccccc1Nc1nnc(SCC(=O)N[C@](C)(C#N)C2CC2)s1 4835811 KXJPYECOVCTPEL-QGZVFWFLSA-N 389.506 3.191 30 40 GGEB N#Cc1cc(Sc2cc(C#N)c(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1C#N 16383112 QQMWQGDXNNEZNM-UHFFFAOYSA-N 376.313 3.141 30 40 GGEB CCOC(=O)C1=C(C)Nc2c(C#N)c(N3CCCC3)nn2[C@H]1c1ccccc1 7991037 CBQZBOZVINACNH-SFHVURJKSA-N 377.448 3.207 30 40 GGEB C=CCOc1ccc(NC(=O)CCCN(c2ccccc2)S(C)(=O)=O)cc1 408682328 XGZSNZWFCPACQY-UHFFFAOYSA-N 388.489 3.436 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 218242630 XOSLQIZCQDMBNZ-UHFFFAOYSA-N 388.489 3.273 30 40 GGEB COc1ccc([C@@H]2C(C(=O)Cc3ccc(Cl)cc3)=C(C)Nc3nnnn32)cc1 72332439 VRYHXNDPJGOCRW-LJQANCHMSA-N 395.850 3.436 30 40 GGEB CC(C)CCNC(=O)C(=Cc1ccccc1OCC#N)C(=O)NCCC(C)C 16410330 YALQUPZDBGQXFW-UHFFFAOYSA-N 385.508 3.297 30 40 GGEB O=C1N[C@@H](c2cccc(F)c2)/C(=C(\O)c2ccc(Br)cc2)C1=O 101062607 WKNNWLGFVFCTHG-MRPLLJTBSA-N 376.181 3.298 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102880278 ZOVPLRSTXLETKT-DPGTYXLWSA-N 381.403 3.426 30 40 GGEB CCOC(=O)c1ccc(N(CC[C@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1 1680172 RDFFQYVCTRUJES-SFHVURJKSA-N 389.473 3.156 30 40 GGEB CC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4083749 MNQKQGFLLDOCEI-JZTHCNPZSA-N 388.504 3.382 30 40 GGEB biogenic N#Cc1ccccc1COc1ccc(/C=N/NC(N)=S)cc1Br 6222399 SJDISVNHJWYOSG-AWQFTUOYSA-N 389.278 3.067 30 40 GGEB CC1=NN(C(=O)c2cccc(COc3ccc(C#N)cc3)c2)[C@](O)(C(F)F)C1 6394730 WGTUSAOJXCMEPD-HXUWFJFHSA-N 385.370 3.313 30 40 GGEB Cc1ccc(C(=O)CCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 7719131 SRZNQOVEPBKYJL-UHFFFAOYSA-N 378.428 3.448 30 40 GGEB Cc1ccc(-c2csc(NC(=O)CSc3ncc(C#N)c(N)n3)n2)cc1 24726128 QMAPLBDXTRQYJE-UHFFFAOYSA-N 382.474 3.093 30 40 GGEB O=S(=O)(/N=C(\O)C1(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCCCO2 48536288 WYXCZDAKSHQQJA-UHFFFAOYSA-N 391.420 3.364 30 40 GGEB O=C(CC/C(O)=N/S(=O)(=O)N1CCCCC1)c1ccc2c(c1)CCCC2 64620208 ULMWPYVQUKARTA-UHFFFAOYSA-N 378.494 3.216 30 40 GGEB C#CCCCCC(=O)Nc1ccc(OCC)c(S(=O)(=O)N(CC)CC)c1 95983765 HAYDICKMXUVYCM-UHFFFAOYSA-N 380.510 3.248 30 40 GGEB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c1 225924477 HGTKAUWBXOMMMM-UHFFFAOYSA-N 397.500 3.215 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1 4860712 LUWAOQXNDMBCGV-UHFFFAOYSA-N 382.489 3.484 30 40 GGEB C/N=C1/S/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C(=O)N1C 101504092 XAPVZFQYNJUZNT-UCEMORSKSA-N 381.457 3.236 30 40 GGEB COc1cc(/C=N/n2c(-c3ccc(O)cc3O)cs/c2=N/C2CC2)ccc1O 102836277 CESNDGDYVVCVLV-DEJMSADOSA-N 397.456 3.287 30 40 GGEB O=C(C[C@H]1S/C(=N\Cc2ccccc2)NC1=O)Nc1ccc(F)cc1F 2630881 YJENIHZMGNFWDH-OAHLLOKOSA-N 375.400 3.081 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1Br 408726172 QLSRLOOAFJTKDP-INXJBAHFSA-N 385.261 3.289 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccccc2C#N)nnc1-c1ccccc1O 409411543 IXADEBBHIHBSKQ-UHFFFAOYSA-N 391.456 3.439 30 40 GGEB C=CCOc1ccc(NC(=O)[C@H](C)N(c2ccc(F)cc2)S(C)(=O)=O)cc1 218453918 QNWPIJZOJQSBAY-AWEZNQCLSA-N 392.452 3.184 30 40 GGEB C=CCOc1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1 218251457 BGCJMRJMPBBALZ-UHFFFAOYSA-N 394.880 3.310 30 40 GGEB Cc1sc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C#N)c1C 36685997 ROAIEYJOEMPGSS-UHFFFAOYSA-N 386.433 3.234 30 40 GGEB C=C(C)CN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1ccccn1)C2 585107429 VQLDKBXWLYHNCF-HSZRJFAPSA-N 385.471 3.405 30 40 GGEB COc1ccccc1/N=C1\S[C@@H](C(=O)Nc2ccccc2OC)CC(=O)N1C 12631559 YPDVQKMOQZIJMI-SLNYWTKHSA-N 399.472 3.294 30 40 GGEB O=C1C[C@@H](c2ccco2)CC2=C1[C@H](c1ccc([N+](=O)[O-])cc1)n1ncnc1N2 14608159 AHGMVWBFMMRGOO-SGTLLEGYSA-N 377.360 3.195 30 40 GGEB COc1cc2nc3c(C#N)cc4cc5ccccc5nc4n3c(=O)c2cc1OC 3182734 SNIQFUDOXTZMCK-UHFFFAOYSA-N 382.379 3.438 30 40 GGEB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4Cc5[nH]c(=O)c(C#N)c(C#N)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 12661528 RONRYQJFHZPPMI-DEYQHDIYSA-N 391.515 3.437 30 40 GGEB biogenic CN(C)S(=O)(=O)c1cc(/N=C/c2ccccc2O)ccc1N1CCCCC1 59489797 DTNUAPSDVCOLIO-RCCKNPSSSA-N 387.505 3.383 30 40 GGEB C=CCOC(=O)C1=C(C)N=C2S[C@H](C)C(=O)N2[C@@H]1c1ccc(OCC)cc1 2463687 PJWPVWFOADABES-CXAGYDPISA-N 386.473 3.463 30 40 GGEB C=CCn1c(C)cc(C(=O)COC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 2619491 FIUMOQHUOUOMLG-LJQANCHMSA-N 394.471 3.066 30 40 GGEB CCOc1ccc(S(=O)(=O)N/N=C/c2c(C)nn(-c3ccccc3)c2C)cc1 6155707 HJORKWRSDADPSW-KGENOOAVSA-N 398.488 3.200 30 40 GGEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1C 5488293 TXKOMLCMGVWBOR-BCHHYXHLSA-N 386.926 3.050 30 40 GGEB CC[C@@H]1CCc2sc(-c3nnc(SCC(=O)NCCC#N)n3C)cc2C1 5776254 HKIDCWZYFQHTQH-GFCCVEGCSA-N 389.550 3.180 30 40 GGEB CC(=O)N1CCc2cc(C(=O)NCC#Cc3cccc(C(F)(F)F)c3)ccc21 24507692 FHWMFPBRTYSXRZ-UHFFFAOYSA-N 386.373 3.396 30 40 GGEB C=C(C)CN1CCN([C@H](C(=O)O)c2c[nH]c3ccc(Br)cc23)CC1 20735439 HBIDOVKRUCDGAS-KRWDZBQOSA-N 392.297 3.250 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(NC(C)=O)cc1 224899893 AWDWQCNFKZRJFO-UHFFFAOYSA-N 389.433 3.243 30 40 GGEB C#CCOc1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)cc1OC 12113877 UQGHGHGCRBTNQE-MRXNPFEDSA-N 378.432 3.008 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 585147842 BQDMJEZPQZAEFH-AWEZNQCLSA-N 397.481 3.137 30 40 GGEB N#Cc1ccccc1COc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1 101021706 SKBDWWBFYVTNIZ-WXAOVAFWSA-N 397.434 3.278 30 40 GGEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2ccccc2F)s1 102870001 WECFSJMUQYUOLX-MRPLLJTBSA-N 385.376 3.205 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(F)cc1 102878561 GEEJPZFRBDQJDH-UYTDBDHRSA-N 375.421 3.345 30 40 GGEB N#Cc1ccc(OCCOC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 10734000 OCULSKXNGKGSFR-UHFFFAOYSA-N 381.388 3.302 30 40 GGEB O=S(=O)(/N=C(\O)[C@@H]1CCCC[C@@H]1C(F)(F)F)c1ccc2c(c1)OCCO2 48470408 CRPUNHYXCPZDOF-NEPJUHHUSA-N 393.383 3.472 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(Cl)c1 32634183 AGQNNWBIJPGTAK-QJGXAYKQSA-N 386.926 3.132 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)N[C@H](C3CCC3)[C@H]3CCCO3)CC2)c(F)c1 601878352 XDIBUBNABSTCNG-NHCUHLMSSA-N 385.483 3.378 30 40 GGEB CC(=O)NCCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 5799111 ITIMGLAJVRKSJX-GOSISDBHSA-N 398.846 3.054 30 40 GGEB C=CCn1c(=O)c2ccccc2n(Cc2nc(-c3ccccc3Cl)no2)c1=O 38652757 YVOSHOCWJITTKA-UHFFFAOYSA-N 394.818 3.101 30 40 GGEB N#CCCN1CCN([C@H](C(=O)O)c2c(-c3ccccc3)[nH]c3ccccc23)CC1 20719896 BELIAYVNPMLCOJ-QFIPXVFZSA-N 388.471 3.492 30 40 GGEB COc1ccc(OCC(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)cc1 102181061 KGJPUOUOUJIQAB-FYJGNVAPSA-N 395.455 3.498 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)n1 52778672 LHAQPGNAIYDWJS-OAHLLOKOSA-N 391.431 3.117 30 40 GGEB C=CCN(Cc1ccccc1Cl)S(=O)(=O)c1ccc2c(c1)OCCO2 27915195 QMKMGESMQLVWFM-UHFFFAOYSA-N 379.865 3.488 30 40 GGEB CN/N=C(/C)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 104296408 YCBFGMOJGGMQJD-XWVJVMHKSA-N 393.487 3.404 30 40 GGEB CSc1nc(C2CC2)cc(C(=O)OCC(=O)NCc2ccc(F)cc2)c1C#N 10711255 LKFBCYNIORZZJV-UHFFFAOYSA-N 399.447 3.165 30 40 GGEB O=S(=O)(/N=C(\O)CCSc1ccccc1F)c1ccc2c(c1)OCCO2 48461783 JAIPGGFJKDJWBI-UHFFFAOYSA-N 397.449 3.425 30 40 GGEB C=C(Br)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Cl)s1 49296745 CSQWVNAHDAZUIB-VIFPVBQESA-N 377.691 3.031 30 40 GGEB CCn1c(C)nnc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 13989623 CPHZJLNTOPIMMU-SNVBAGLBSA-N 375.523 3.395 30 40 GGEB CN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccc(N2CCOCC2)cc1 409088367 LHRJLQYLFMLIPC-DOZOSFQVSA-N 382.489 3.096 30 40 GGEB COc1ccc(-c2nc(C#N)c(N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)o2)cc1 138163024 WHAAZWMAWAOUON-GOEBONIOSA-N 388.427 3.007 30 40 GGEB C=CCN(C(=O)CN1CCC(C(=O)NCc2ccccc2)CC1)c1ccccc1 16396364 VRXHWTXGVZVJSW-UHFFFAOYSA-N 391.515 3.234 30 40 GGEB CC[C@H]1S/C(=N/S(=O)(=O)c2ccc(F)cc2)N(c2ccccc2)C1=O 4538014 FEKACBVPLHMFNN-QFPXGYFVSA-N 378.450 3.429 30 40 GGEB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(C#N)cc2)cs1 4517723 SAWGLJHLJGNECP-UHFFFAOYSA-N 383.454 3.338 30 40 GGEB C=CCn1ccc2c(OCC(=O)Nc3ccc(OC)c(OC)c3)cccc2c1=O 4584230 DEFGPAHNHKSZFY-UHFFFAOYSA-N 394.427 3.222 30 40 GGEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccc(F)cc2)s1 102894696 QUVFGEYRXZAAAG-SXWSKBOKSA-N 385.376 3.205 30 40 GGEB N#Cc1cc2cc3c(cc2nc1SCC(=O)NCc1cccs1)OCCO3 1355092 JTGHDTAQQPZUIT-UHFFFAOYSA-N 397.481 3.348 30 40 GGEB COc1ccccc1CNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)[C@@]34O[C@H]4[C@@H]21 12659826 FOEBWTIHOHDNTR-OYQWTXIVSA-N 385.504 3.310 30 40 GGEB biogenic Cc1sc2ncnc(N/N=C3/CCS(=O)(=O)c4ccc(F)cc43)c2c1C 35610739 BJRBWLCOVOWSHP-BKUYFWCQSA-N 390.465 3.441 30 40 GGEB COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(SCCC#N)nnc12 9104967 NJWJIGSOXSVXAL-UHFFFAOYSA-N 391.456 3.356 30 40 GGEB O=C(O)[C@@]1(c2ccccc2)CC/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 4752000 CTMVPQXTZDHTSF-UZNZLNSGSA-N 384.348 3.477 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1ccco1 6785087 ZLFBZQRYQJGXTQ-GHNGSUTGSA-N 386.448 3.335 30 40 GGEB CCOc1ccccc1N1CCN(CC(=O)Nc2cc(Cl)ccc2C#N)CC1 57563098 SVUYMTXANOPOQB-UHFFFAOYSA-N 398.894 3.371 30 40 GGEB C=CCCC(=O)N1CCC[C@H](c2n[nH]cc2NC(=O)c2ccc(OC)cc2)C1 95998778 IDTPXXYIZZBREQ-INIZCTEOSA-N 382.464 3.343 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OCC 409134980 QLLTUWZTWHUHFF-RVDMUPIBSA-N 395.864 3.433 30 40 GGEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1F 225872194 OVIPJTGBROCGRS-UHFFFAOYSA-N 389.478 3.452 30 40 GGEB COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCO[C@@H](C)C3)c2)c1 58014297 MVQMDWHUQUKQSD-INIZCTEOSA-N 378.428 3.126 30 40 GGEB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 16676061 PZWBSSICWQQYSR-ZZRUKSIYSA-N 391.383 3.386 30 40 GGEB COc1cc(C)nc(NN/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)c1C#N 5401708 ZLJXPAJNTUAWGP-YBEGLDIGSA-N 396.838 3.147 30 40 GGEB C[C@@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9532806 IMBNODXFFYNNFQ-HNAYVOBHSA-N 377.444 3.494 30 40 GGEB N#Cc1cccc(N2C[C@]3(CCN(C(=O)/C=C/c4cccs4)C3)CC2=O)c1 1614932112 KLQMFVNOSFHGLU-IRUYWQDXSA-N 377.469 3.289 30 40 GGEB COc1ccc([C@H]2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CCC3)cc1O 20028850 KUMMPOVORRSXON-NRFANRHFSA-N 396.487 3.381 30 40 GGEB C=CCOc1ccc(-c2nonc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 12408626 DHLAURVLQIURAI-KRWDZBQOSA-N 379.372 3.080 30 40 GGEB Cc1ccc(S(=O)(=O)Nc2nn(C(C)(C)C)cc2C#N)c(Br)c1 79020408 FILGFRUHCXXIKJ-UHFFFAOYSA-N 397.298 3.382 30 40 GGEB Cn1c(=O)n(C)c2cc(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)ccc21 1093353 WZSNDNZHUXUWIR-GIJQJNRQSA-N 389.209 3.298 30 40 GGEB Cc1cc(C)n(/N=C/C2=Cc3cc(Br)ccc3OC2)c(=O)c1C#N 42787097 FZRFIFWPZGJFBP-ZVBGSRNCSA-N 384.233 3.409 30 40 GGEB COc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(NC(C)=O)cc2)cc1 1261098 QDVGNCUXPXBBQD-LJQANCHMSA-N 380.400 3.143 30 40 GGEB CC(C)N(C(=S)/N=C1/SCS(=O)(=O)N1Cc1ccccc1)C(C)C 104201828 XYCOCAFQTJBUEJ-WUKNDPDISA-N 385.580 3.282 30 40 GGEB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C#N)cc2)c(OC)c1OC 12698753 GVTKOTBRZRLTOG-AWEZNQCLSA-N 383.448 3.043 30 40 GGEB CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)[C@H](C)c1ccc(C#N)cc1 58712810 HDDGKAHRJBGYMZ-OAHLLOKOSA-N 375.428 3.435 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)cc1C 22357928 SENBQKVTFJFWHM-HXUWFJFHSA-N 387.480 3.014 30 40 GGEB COc1ccc(-c2c[n+](CC(=O)Nc3ccc(C(C)=O)cc3)c3n2CCC3)cc1 13787092 FQWMLUGSWPKYMP-UHFFFAOYSA-O 390.463 3.239 30 40 GGEB CCOc1ccc(N/C(N)=N\c2nc(O)cc(CSc3ccccn3)n2)cc1 5890461 JLWGOVQMCYCSDD-UHFFFAOYSA-N 396.476 3.327 30 40 GGEB N#Cc1c(NC(=O)CCn2cnc3sccc3c2=O)sc2c1CCCC2 26008346 IMQNKFUDZRPXII-UHFFFAOYSA-N 384.486 3.299 30 40 GGEB C=CCS(=O)(=O)N1[C@@H]2CC[C@@H](C2)[C@@H]1COc1cccc(C(F)(F)F)c1 12085336 WGEQXZNEIQPTCQ-BJJXKVORSA-N 375.412 3.453 30 40 GGEB C=CCNS(=O)(=O)c1ccc(C(=O)N(CC=C)Cc2cccs2)cc1 21930450 OVRQNZQMGIQJHM-UHFFFAOYSA-N 376.503 3.041 30 40 GGEB N#Cc1[nH]c(=O)n(-c2ccccc2)c(=N)c1/N=C/c1cccc(C(F)(F)F)c1 100407661 VMOKBBZXWXBMSW-XAKUFTTOSA-N 383.333 3.286 30 40 GGEB COc1cc(/C=N/n2c(C)nc3c([nH]c4ccccc43)c2=O)cc(OC)c1OC 2275920 RFUNVGRCYMBGPU-SSDVNMTOSA-N 392.415 3.094 30 40 GGEB Cc1cc(C)c(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c(C)c1 5093848 UZAVBDVFMPCQRQ-HYARGMPZSA-N 379.512 3.443 30 40 GGEB CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc2ccccc2n1 6122774 ICVYJCRXXVPPBF-UHFFFAOYSA-N 381.413 3.284 30 40 GGEB CN1CCN([C@@H](C(=O)O)c2c[nH]c3ccc(/N=C(\O)c4ccccc4)cc23)CC1 36366660 HLFDAUAPUYEZDM-HXUWFJFHSA-N 392.459 3.177 30 40 GGEB CC(=O)c1cccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)c1 408960587 HCECKTZCZYZYMS-ZVHZXABRSA-N 389.455 3.453 30 40 GGEB C=CCN(C(=O)c1ccccn1)[C@H](C(=O)NCc1ccccc1)c1ccncc1 35310810 YEVWIDFYBDFMTO-NRFANRHFSA-N 386.455 3.163 30 40 GGEB CC(C)(C)c1ccc(OCCN2C(=O)/C(=N\O)c3cc([N+](=O)[O-])ccc32)cc1 46084750 BWSGFXFQMBZFRB-UZYVYHOESA-N 383.404 3.496 30 40 GGEB CC(C)n1ncc2c1NC(=O)[C@@H]([N+](=O)[O-])[C@H]2c1ccc(F)c(Br)c1 100254855 YCYTWLGPHASAOL-STQMWFEESA-N 397.204 3.095 30 40 GGEB COc1cccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)c1 102929377 LRWPZPGNBUMHFS-SASZOBLLSA-N 399.468 3.357 30 40 GGEB COCC/N=c1/scc(-c2cc(C)n(-c3nnc[nH]3)c2C)n1N=C1CCCC1 104736963 GTGGBFCNYGULCF-FMQUCBEESA-N 399.524 3.067 30 40 GGEB CC(=O)C1=C(c2ccccc2)N(C(C)=O)n2c(nnc2-c2ccccc2)S1 4518256 QPOJORYTYQRBLK-UHFFFAOYSA-N 376.441 3.493 30 40 GGEB C=CCCO[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 57992901 MIBYILHCQYVWJO-MRXNPFEDSA-N 380.510 3.089 30 40 GGEB C=CCOC(=O)C1=C(C)N=C2S[C@@H](C)C(=O)N2[C@H]1c1ccc(OCC)cc1 2463688 PJWPVWFOADABES-GUYCJALGSA-N 386.473 3.463 30 40 GGEB CCOc1c(Cl)cc(/C(O)=N/S(=O)(=O)c2cccc(C#N)c2)cc1OC 48598463 YXFSZJSMCMFUER-UHFFFAOYSA-N 394.836 3.312 30 40 GGEB CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 47011176 ALPGXXPIOIJDPR-HXUWFJFHSA-N 383.879 3.106 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1cccc(C)c1C 14183578 SASYIGJLBUWGBZ-HSZRJFAPSA-N 389.455 3.407 30 40 GGEB CC(C)C[C@@H](C(=O)OCc1ccccc1C#N)N1C(=O)c2ccccc2C1=O 6602185 YNUPPOZKUHMXPM-IBGZPJMESA-N 376.412 3.312 30 40 GGEB C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@@H]1CC(=O)Nc1cccc(F)c1 4704148 WMBWDCVUVRDGOL-SFHVURJKSA-N 381.407 3.486 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1-c1ccccc1F 15812742 HVNRUTRXHHKHQH-CYBMUJFWSA-N 383.448 3.308 30 40 GGEB C=CCn1c(C)nnc1SCc1nnc(-c2ccc(Br)o2)o1 8753796 UFMHBNPTGWVCLX-UHFFFAOYSA-N 382.243 3.470 30 40 GGEB N#Cc1c(NC(=O)CSc2n[nH]c(-c3ccccn3)n2)sc2c1CCCC2 408583514 VHVDJAJFNFTGMO-UHFFFAOYSA-N 396.501 3.409 30 40 GGEB Cn1cnnc1S/C(=N/S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 12599984 CCHACAPKNXETBA-RCCKNPSSSA-N 394.428 3.021 30 40 GGEB O=C(CN/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1 16673005 ABFKSACMSGLOCY-UHFFFAOYSA-N 378.453 3.295 30 40 GGEB COc1nccnc1N(C)CC1CCN(c2cc(C#N)c3ccccc3n2)CC1 1775975508 IZHCLOBMWDRRQU-UHFFFAOYSA-N 388.475 3.258 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(Cl)cc1 102880109 VAMWMSQGWGIEAG-IBOXJLQUSA-N 375.808 3.391 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OC 59135205 RITYLIWWUYPYQX-LFIBNONCSA-N 394.358 3.353 30 40 GGEB C=CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCCC)c(OCC)c1 28290250 NJGQNRZECXZOAN-GOSISDBHSA-N 390.505 3.396 30 40 GGEB COc1ccc2ccccc2c1/C=N/n1c(S)nnc1-c1n[nH]c2c1CCC2 5458607 CFWFZJAUTQCJRT-SRZZPIQSSA-N 390.472 3.490 30 40 GGEB N#CC1(NC(=O)CSc2nnc(Cc3cccs3)n2C2CC2)CCCC1 9614091 QLJUUZSQJYINCQ-UHFFFAOYSA-N 387.534 3.310 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)C3=CC[C@@]21C 254018982 SGOCZEFVBBHDQY-MFLNYIJXSA-N 398.499 3.324 30 40 GGEB Oc1ccccc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 5003433 CGGPWVRFWCLQQH-RCCKNPSSSA-N 381.484 3.004 30 40 GGEB Cc1ccccc1/N=C1\SCCCN1C(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 12869570 HBEUOTJCFSKKHQ-YVCJNRQBSA-N 389.546 3.402 30 40 GGEB COc1ccc(NC(=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc1 100129374 SXOLPQVKMPFPIO-CRAIPNDOSA-N 390.439 3.171 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 1041833 UVXZBYZJISRENF-XDHOZWIPSA-N 385.401 3.476 30 40 GGEB Cc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)oc2ccccc12 4463019 PJXFINRFYYZAPK-UHFFFAOYSA-N 379.328 3.317 30 40 GGEB Cc1nn(-c2ccccc2)c(CSc2nnnn2Cc2cccs2)c1C#N 25078592 QGPOHQYJCXIRIV-UHFFFAOYSA-N 393.501 3.441 30 40 GGEB C=CCNC(=O)[C@H]1CCCN(c2nc3c(-c4ccccc4)csc3c(=O)[nH]2)C1 49421119 CCRFNAAXXBXIEX-HNNXBMFYSA-N 394.500 3.170 30 40 GGEB COC(=O)c1ccc(/N=C/c2cc(Br)c(N3CCOCC3)o2)cc1 59249495 RISJBVDNTQQPGV-YBFXNURJSA-N 393.237 3.416 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1C#N 225775353 WIGJOAMFPUKJQW-UHFFFAOYSA-N 382.391 3.310 30 40 GGEB C=CCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409089426 NOOPRNSTQWALOU-BJMVGYQFSA-N 385.195 3.285 30 40 GGEB CCN1C(=O)/C(=C/c2cccn2C)SC1=Nc1ccc(N2CCOCC2)cc1 409098838 MFOJAOPOZBRUOK-YAEVEYJCSA-N 396.516 3.486 30 40 GGEB COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(N2CCOCC2)cc1 409243739 ZYTOANQSMSWKSO-HAVVHWLPSA-N 381.476 3.119 30 40 GGEB CC(C)(C)COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409347079 NYPXOTZPDAXTHN-UHFFFAOYSA-N 396.403 3.317 30 40 GGEB N#Cc1ccccc1COc1ccc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 101021705 SKBDWWBFYVTNIZ-JNVMQLBYSA-N 397.434 3.278 30 40 GGEB COC(=O)c1c(C)[nH]c(/C=N/NC(N)=S)c1Cc1cc(Cl)ccc1Cl 36635927 VGPZVLWDKLZEGM-IFRROFPPSA-N 399.303 3.174 30 40 GGEB CC(C)[C@@H](NC(=O)c1ccc(F)cc1)C(=O)OCc1cn2ccccc2c1C#N 32682314 XGRVSOCTVJNWFR-HXUWFJFHSA-N 393.418 3.448 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2cc(C)on2)cc1 102731354 NQZFKRUOJWLELJ-HVESIFNPSA-N 380.356 3.211 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 102716742 FBNQRXBTTVJODG-GHNGSUTGSA-N 391.383 3.013 30 40 GGEB CCOC1(OCC)[C@@H](C#Cc2ccccc2)C(C#N)(C#N)C1(OCC)OCC 721519 OKAZPZNWXMJPRK-IBGZPJMESA-N 382.460 3.240 30 40 GGEB COCCCn1c(Sc2ccc(C#N)cn2)nc2sc3c(c2c1=O)CCC3 12522648 PDAJFDSZKAYCKC-UHFFFAOYSA-N 398.513 3.401 30 40 GGEB O=C(Cn1c(=O)cnc2ccccc21)Nc1cccc(C#Cc2ccccc2)c1 12755173 UZQSAJYHPLSBKQ-UHFFFAOYSA-N 379.419 3.435 30 40 GGEB N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c1 3400155 UTRCPUUSCKSHJZ-UHFFFAOYSA-N 396.472 3.061 30 40 GGEB C[C@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)c3ccccc3)s2)C[C@@H](C)O1 68677155 AFRGOOVDPLUBJM-DNLDOLJFSA-N 391.514 3.442 30 40 GGEB C=CCn1c(N)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21 4785898 SAGSOHWGPDAVHO-UHFFFAOYSA-N 378.457 3.494 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1ccco1 6812686 BMTKPBFOSAFNPH-SELCWUDQSA-N 380.400 3.009 30 40 GGEB CC[C@H](NC(=O)N[C@@H]1CCCC[C@@H]1C#N)[C@@H]1CN(Cc2ccccc2)CCO1 596485346 HHCZQTABOZKKOZ-MHTWAQMVSA-N 384.524 3.048 30 40 GGEB Cc1ccc(CN2CCCC[C@H]2c2c[nH]c(=Nc3ccc(C#N)nc3)cn2)nc1 585294573 RYOKGYPXAAVIPP-NRFANRHFSA-N 385.475 3.339 30 40 GGEB CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C(C)(C)C)C1=O 1626570 WQKKAUBHJNKRLT-UHFFFAOYSA-N 378.298 3.081 30 40 GGEB C=CCN1C(=O)[C@H](c2ccccc2)S/C1=N/S(=O)(=O)c1ccc(F)cc1 100972537 CNEVLKNXSAJLDE-RJCBAWPRSA-N 390.461 3.373 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)[C@@H]1c1ccc(Cl)cc1 102873824 GOBFVPMAXGXTLT-GHNGSUTGSA-N 399.878 3.108 30 40 GGEB N#Cc1ccc(NC(=O)c2ccc(Cl)c(N3CCCCS3(=O)=O)c2)cc1 12195256 WOFLUPRSYZYCDL-UHFFFAOYSA-N 389.864 3.394 30 40 GGEB CCCCCCCCCCCCCCOC[C@H](O)CN(CCO)CCO 104209384 AYXJWIQFIIVOFR-OAQYLSRUSA-N 375.594 3.352 30 40 GGEB N/C(=N/OCc1cc(Cl)c2c(c1)OCO2)c1ccc(N2CCCCC2)nc1 58498582 OWFPGMVOHWHNBS-UHFFFAOYSA-N 388.855 3.291 30 40 GGEB COc1cccc(NC(=S)N/C(N)=N\c2nc(C)c3cc(C)c(C)cc3n2)c1 17197062 AAROIZVNSIYZOA-UHFFFAOYSA-N 394.504 3.496 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc(C(C)=O)c2)nnc1-c1cccnc1 8471209 TYQNYMSLHWTHHV-UHFFFAOYSA-N 393.472 3.460 30 40 GGEB COC(=O)c1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)cc1 5558014 QUBUJTFKULIHTQ-FPIDQHAWSA-N 396.424 3.405 30 40 GGEB C/C(=N\Nc1cc(C)nc(N2CCOCC2)n1)c1ccc(Br)cc1 4858207 WMJBKPFZPWDPIN-FYJGNVAPSA-N 390.285 3.220 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3cc4ccccc4o3)C(=O)C(=O)N2CCN(C)C)o1 6813302 PXQJXRKZTZTFAG-LFVOPCPISA-N 394.427 3.318 30 40 GGEB COc1cccc([C@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c1OC 85409091 PNIQDYOSEMKYLD-MRXNPFEDSA-N 390.399 3.126 30 40 GGEB C=CCc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(OCC)c1O 5525779 ATTFUWHCPNNLDY-LDADJPATSA-N 378.453 3.290 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2F)cc1 104036163 KVYBUEDMKJTVLQ-LFVOPCPISA-N 382.435 3.117 30 40 GGEB C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nnc1-c1ccccc1 58121455 ZGDRTUNCXNMDHM-UHFFFAOYSA-N 399.501 3.022 30 40 GGEB C=CCSc1nnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)s1 9218541 ZAVXDKGWGSWWPF-UHFFFAOYSA-N 387.490 3.359 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102934772 JSFYRPVCRIOLJS-DWEDTRNSSA-N 381.403 3.426 30 40 GGEB COC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3)CC(=O)N2C)cc1 13423879 STANNINUXFZXMK-HZSHHLKBSA-N 397.456 3.063 30 40 GGEB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C#N)cc2)C1 4330584 BTKPJKXKADAOLO-ZDUSSCGKSA-N 389.502 3.293 30 40 GGEB OC[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 95681717 DAHZCNRVTNHGGR-GSVOUGTGSA-N 394.127 3.469 30 40 GGEB in-vitro C=CCOc1ccc(NC(=O)[C@H](C)N(c2cccc(F)c2)S(C)(=O)=O)cc1 220479002 WJILIBVUIDBRMC-AWEZNQCLSA-N 392.452 3.184 30 40 GGEB CCN(CC(=O)Nc1ccc(C2(C#N)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 226048189 CDITUCSZXSUCLG-UHFFFAOYSA-N 397.500 3.200 30 40 GGEB COC(=O)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1 13111432 LPYLVGFGBYWOTJ-UHFFFAOYSA-N 377.425 3.387 30 40 GGEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3cccs3)cc21 9171026 UCDKFFRAZORRON-UHFFFAOYSA-N 392.502 3.487 30 40 GGEB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2C#N)C1 10252675 CMZMUDMIFSRYLG-LBPRGKRZSA-N 388.514 3.329 30 40 GGEB CC(=O)c1cccc(/N=C(\O)[C@H](C)N2CCN(C(=O)c3cccs3)CC2)c1 24667570 DWQFUEZPQXPNCP-AWEZNQCLSA-N 385.489 3.385 30 40 GGEB CCOc1ccc(/C=N/Nc2nncc(-c3ccccc3OC)n2)cc1OC 4660094 RVEPHJYBXTWFQR-CIAFOILYSA-N 379.420 3.401 30 40 GGEB C=CCOc1ccc(CN(C)CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9156320 PIIFIVVDTJRCQG-UHFFFAOYSA-N 393.487 3.214 30 40 GGEB CCn1c(SCc2nc3ccccc3c(=O)n2CC#N)nnc1-c1ccco1 6786879 TXMLLGGBABFKAL-UHFFFAOYSA-N 392.444 3.084 30 40 GGEB CCOC(=O)COc1ccc(/C=N\Nc2ccc([N+](=O)[O-])cc2)cc1OCC 408913995 WVGWKUUETDUEEC-NDENLUEZSA-N 387.392 3.381 30 40 GGEB C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CF)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)CCC(=O)C=C12 4691936 AQKQDPGSWSFRHL-PJHHCJLFSA-N 378.484 3.005 30 40 GGEB biogenic,in-vitro COc1ccc([C@@H](C#N)N2CCN([C@@H](C#N)c3ccc(OC)cc3)CC2)cc1 22864143 LAWXUGNCFXSFTO-SZPZYZBQSA-N 376.460 3.151 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cccc(OCC)c21 100910092 REBJBONNZOJISY-DQRAZIAOSA-N 396.468 3.493 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCC(Nc3snc(Cl)c3C#N)CC2)cc1 40118727 WVTVFWOBFDQBQC-UHFFFAOYSA-N 396.925 3.242 30 40 GGEB Cc1ccc(C(=O)OC[C@@H]2O[C@H](C#N)C[C@H]2OC(=O)c2ccc(C)cc2)cc1 1043992 CNZCFLNRRCOAAM-ZCNNSNEGSA-N 379.412 3.367 30 40 GGEB O=C1Nc2ccccc2/C1=N\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 12377192 ZIBIKUOAOZIAGQ-UHFFFAOYSA-N 383.473 3.324 30 40 GGEB Cc1c(C#N)c(SCC(=O)Nc2cccc3nsnc23)nc2c1CCC2 19105009 UEZQZVDGHPWQFE-UHFFFAOYSA-N 381.486 3.486 30 40 GGEB COc1cc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc(Cl)c1OC 5429855 ZWIYCRMYUHDOAA-LBPRGKRZSA-N 394.855 3.245 30 40 GGEB C=CCN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(OCC)cc1 224598145 QTOLTFIELCEPDB-UHFFFAOYSA-N 375.446 3.238 30 40 GGEB CC(C)(C)c1nc2ccccc2n1C1CN(S(=O)(=O)c2ccc(C#N)cc2)C1 1889281972 VKPARHAMBYTBTE-UHFFFAOYSA-N 394.500 3.451 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC(Oc2cccc3cccnc23)CC1 238921506 TZEWTFZPDWJCPW-UHFFFAOYSA-N 393.468 3.339 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2C[C@H](C)O)cc1 5799637 INDHTQWGQOMIFM-IFXJQAMLSA-N 381.428 3.044 30 40 GGEB N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)cc1 6680786 TYIIWYMQNWGTMQ-UHFFFAOYSA-N 389.502 3.437 30 40 GGEB C/C(=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(O)cc1O 101670098 KCRZGVZOMQPCHV-YBFXNURJSA-N 389.458 3.496 30 40 GGEB N#Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)c1 48355243 AXOMARPKRNGPHU-UHFFFAOYSA-N 388.254 3.463 30 40 GGEB Cc1cc(C)c(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c(C)c1 22387449 LNDOXVHCKUVWDC-UHFFFAOYSA-N 385.489 3.083 30 40 GGEB COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCC[C@H](C)C1 4889203 GIJBBKJVURIRHU-HRCADAONSA-N 382.464 3.051 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)[C@H]1CC=CCC1 15719188 CJPJNBULCZFBCT-HNNXBMFYSA-N 375.494 3.232 30 40 GGEB C=CCN(Cc1cccs1)C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 8777016 ZLBLUGWPTNACKO-UHFFFAOYSA-N 390.530 3.361 30 40 GGEB COc1cc(CNC(=O)c2c(C)oc(-n3cccc3)c2C#N)cc(OC)c1OC 9888118 GPXVQVALASEGHD-UHFFFAOYSA-N 395.415 3.206 30 40 GGEB CC(C)(C)OC(=O)N1C[C@H](C#N)[C@H](NC(=O)c2ccccc2OC2CCCC2)C1 95939174 GLLATAMYLMKWDS-MAUKXSAKSA-N 399.491 3.497 30 40 GGEB C=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)[nH]n1 1775970607 HSZRSNSAWBJRTJ-GASCZTMLSA-N 383.448 3.426 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(COC[C@H]3CCCO3)o2)c([N+](=O)[O-])c1 20436515 JSTCLLOKRDGYFY-UHPUNMKFSA-N 390.352 3.238 30 40 GGEB CC(=O)/C=C(\C)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 100758618 GITAXJVALWKUEC-KFGZODLXSA-N 375.472 3.478 30 40 GGEB biogenic Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)[C@H]2c2cccc(O)c2)no1 102717671 VPHQYGRQDDSLFR-SELCWUDQSA-N 376.368 3.315 30 40 GGEB NC(=S)/C(=N/Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N1CCCC1 1020663 DKAPAMDWAJRRKP-NHDPSOOVSA-N 378.807 3.035 30 40 GGEB CC1CCC2(CC1)NC(=O)N(/N=C/c1c(F)c(F)c(F)c(F)c1F)C2=O 6687312 UCRYBZSROKQNDX-GEVRCRHISA-N 375.297 3.217 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc([N+](=O)[O-])c1 2276698 CSKWEEXHBKWIOP-OAHLLOKOSA-N 386.404 3.085 30 40 GGEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 37213036 JYQUFFCTWVHOBK-AEFFLSMTSA-N 376.460 3.236 30 40 GGEB N#Cc1ncn(CC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)n1 14143859 XKKDMWIDTPYROF-UHFFFAOYSA-N 393.466 3.286 30 40 GGEB COc1cc(/C=N/c2cc(OC)c(OC)c(OC)c2)c([N+](=O)[O-])cc1OC 4589485 MEWJTCUJXXTNCX-VXLYETTFSA-N 376.365 3.388 30 40 GGEB C#CCC(C)(C)OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 28295172 FKNHQHYQWWRDFL-GOSISDBHSA-N 384.442 3.007 30 40 GGEB CCc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(C#N)c2C)cc1 7674039 QBFWFWGFPYWTRX-OAHLLOKOSA-N 380.444 3.173 30 40 GGEB COc1ccc(/C(N)=N/OC(=O)CCCc2nc(-c3ccc(F)cc3)no2)cc1 41156140 ZRDLJDYXZJHZPF-UHFFFAOYSA-N 398.394 3.071 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(F)c1 225111893 ORUACCBABWCNKB-UHFFFAOYSA-N 396.396 3.132 30 40 GGEB COc1ccc(C)cc1C1(CNC(=O)N[C@H]2CCCC[C@H]2C#N)CCOCC1 596195042 DKDPFPKELLVCJY-HKUYNNGSSA-N 385.508 3.433 30 40 GGEB C[C@@](O)(CNC(=O)C(=O)Nc1ccccc1C#N)c1ccc(-c2ccccc2)cc1 77102294 QTOWTNAAYZVEPV-XMMPIXPASA-N 399.450 3.188 30 40 GGEB Cc1ccc(C(=O)/C=C/Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1 2258309 RWMPZEVMDYCNRY-SDNWHVSQSA-N 394.456 3.394 30 40 GGEB C=CCn1c(S[C@@H](C)C(=O)NC(=O)NCC)nnc1-c1ccc(Cl)cc1 3534749 IKPWRZCUKMOWRV-NSHDSACASA-N 393.900 3.111 30 40 GGEB CCOc1cc2c(cc1CNC(=O)c1ccc(NC(=O)CC#N)cc1)O[C@@H](C)C2 12975300 HYZUEVZMDXPPAG-AWEZNQCLSA-N 393.443 3.191 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 12929521 XQABHHYCISLVFL-CVEARBPZSA-N 375.432 3.126 30 40 GGEB COc1cc2c(cc1OC)CN(CC(=O)Nc1sc3c(c1C#N)CCC3)CC2 6083482 ZEVHBWIZLUTEJH-UHFFFAOYSA-N 397.500 3.122 30 40 GGEB O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N\Nc1ncc(C(F)(F)F)cc1Cl 8084168 QQNUIWBXXQUGFS-UHFFFAOYSA-N 385.689 3.430 30 40 GGEB CCCCCCCCNC(=O)c1c(O)c2cc(OC)c(OC)cc2[nH]c1=O 70673748 BQNPZKKRFIAPTK-UHFFFAOYSA-N 376.453 3.341 30 40 GGEB biogenic COc1ccc(/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408855741 GZMLNQCZQMSKQA-OEAKJJBVSA-N 377.444 3.259 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OCC)c1O 408856953 LWCKMXKGZKCHJH-SFQUDFHCSA-N 392.411 3.186 30 40 GGEB CCNC(=S)N/N=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12 33694878 AVOZYFKBSNOSDL-WSDLNYQXSA-N 379.489 3.098 30 40 GGEB CC(C)N1C(=O)/C(=N/n2cnc3sc4c(c3c2=O)CCCC4)c2ccccc21 3305137 BBBDSOBJWKWNJD-PTGBLXJZSA-N 392.484 3.344 30 40 GGEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(N(C)C)cc3)c2C#N)C1 4189968 RELPTTKAPXEXCL-UHFFFAOYSA-N 398.488 3.453 30 40 GGEB CCCCCCCCCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@@H](C)C1 101451766 OMHVDGXECMRTIY-MSOLQXFVSA-N 381.561 3.136 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2)cc1 102863450 YDUSPKAISFSOFJ-YDJIHCHBSA-N 378.472 3.368 30 40 GGEB C=CCn1c(SCC(=O)OCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 985945 OGIZGPKPJLQQCV-NSHDSACASA-N 378.519 3.424 30 40 GGEB CN(CCOc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)n1CC#N 58340171 CHAREHZHBWOFEY-UHFFFAOYSA-N 382.851 3.084 30 40 GGEB CC(C)c1ccccc1N(CC(=O)Nc1ccc(CC#N)cc1)S(C)(=O)=O 22387425 HSQBSQXJFKEECW-UHFFFAOYSA-N 385.489 3.281 30 40 GGEB C[C@]12CN(C(=O)c3ccc(I)o3)[C@]3(C#N)C[C@@H]1CC[C@]23C 100920911 NZDNVISCKUUNQK-LTTZEQNMSA-N 396.228 3.429 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(N(C)C)c1 14115792 LJQOYNZMWYFCNF-UHFFFAOYSA-N 397.504 3.199 30 40 GGEB C=CCNC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 4995886 YSDDLYVAGZTXTC-UHFFFAOYSA-N 398.406 3.203 30 40 GGEB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2ccc(C#N)cc2OC)c1 7017169 NCQXASBTKJSXKB-SFHVURJKSA-N 396.443 3.327 30 40 GGEB O=C(Oc1ccccc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)c1ccccc1 409410663 ZJTYHBBKWMDAIW-CPLUKWAASA-N 386.407 3.047 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8039977 SAPFNTQYNCLHOT-KRWDZBQOSA-N 384.457 3.245 30 40 GGEB CCc1ccc(C(=O)NC(=S)Nc2sc(C(=O)OC)c(C)c2C#N)cc1 408626409 HBRAMWXGLPFEJY-UHFFFAOYSA-N 387.486 3.404 30 40 GGEB C[C@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 12853113 ABMQKANTNXXDER-HXUWFJFHSA-N 380.354 3.056 30 40 GGEB CCc1cccc(CC)c1N1/C(=N\C(=O)C(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 101317183 OJCSOSPLTTZJRK-KZLHXAFESA-N 394.562 3.069 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccncc2)c1 6134356 TUUNWTIOMANMRG-LJQANCHMSA-N 396.443 3.095 30 40 GGEB CCOc1ccc(C(=O)O[C@@H](C)C(=O)NC2(C#N)CCCCC2)cc1OCC 7604984 BZVJXGBVNPYYLG-HNNXBMFYSA-N 388.464 3.372 30 40 GGEB CN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C1 31667343 BXKGLLLSZMXQNE-JCDHFMOQSA-N 379.372 3.485 30 40 GGEB C[C@H](c1ccccc1)N1C[C@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585104788 TWBLZXWLWKVNCN-DVECYGJZSA-N 389.499 3.370 30 40 GGEB CCOc1ccc(/C=C2\Oc3c(ccc(O)c3CN3CCN(C)CC3)C2=O)cc1 22468188 JWXZXFNDHZWVKA-STZFKDTASA-N 394.471 3.155 30 40 GGEB N#Cc1ccc(OS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c(Cl)c1 30498097 JDFPZTJHHWBIFG-UHFFFAOYSA-N 376.821 3.106 30 40 GGEB COc1cc([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc(OC)c1OC 100209245 CVELJSGQGXEWKY-CQSZACIVSA-N 394.379 3.076 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(OC)cc1 102800042 CHRDUJLYXGOOHU-GROYHEBESA-N 387.457 3.215 30 40 GGEB CCN1C(=O)C(=Cc2ccc(-c3ccc(C#N)cc3)o2)C(=O)N(CC)C1=S 661203 ABZAKTRAKNOJED-UHFFFAOYSA-N 379.441 3.197 30 40 GGEB C=CCN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1 3259220 DCZCJCYCGMMSLK-UHFFFAOYSA-N 381.837 3.428 30 40 GGEB CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1 5444591 ICVYACXIHFYFLF-NHFXJNLRSA-N 394.471 3.069 30 40 GGEB COc1ccc(Br)cc1CN(C)S(=O)(=O)c1cccc(C#N)c1 6314341 UEXSTUIRMMNRNV-UHFFFAOYSA-N 395.278 3.150 30 40 GGEB CN(Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(C#N)cc1 14200946 QABMXFRYERPWJK-CYBMUJFWSA-N 381.295 3.254 30 40 GGEB C=CCNS(=O)(=O)c1cccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 17062752 YARQUFRPSCDBSR-UHFFFAOYSA-N 388.533 3.097 30 40 GGEB N#Cc1c(NC(=O)Cn2ncc3ccccc3c2=O)sc2c1CCCCC2 61111417 UFEURDCKMQFEFU-UHFFFAOYSA-N 378.457 3.237 30 40 GGEB CN(CCC#N)C(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 72034794 NPMVZPGJRBGROR-UHFFFAOYSA-N 390.237 3.304 30 40 GGEB N#C[C@@]1(C(=O)O)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218546787 FRORVPDHKOKWRN-HLLBOEOZSA-N 379.796 3.013 30 40 GGEB CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2ccccc2C#N)c1 6052705 UBRFSBZIHPQDFV-UHFFFAOYSA-N 378.841 3.106 30 40 GGEB Cc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c1C#N 9593370 BIKBKGSSTBQYKD-HNNXBMFYSA-N 385.489 3.127 30 40 GGEB N#Cc1nc(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)oc1NC1CC1 12421203 ZJJUZGQIJYMWKX-UHFFFAOYSA-N 386.477 3.352 30 40 GGEB Cc1ccsc1/C=N/n1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N\C1CC1 13098616 QRYASXHLGPTEDN-VITKLESHSA-N 398.513 3.336 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccccc2OCC(=O)N2CCCC2)SC1=S 14189336 IKKIYPJNDUWRDT-FOWTUZBSSA-N 388.514 3.075 30 40 GGEB O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cccc(Cl)c1 15887134 GTLYYEQZIHMGDG-UHFFFAOYSA-N 377.853 3.063 30 40 GGEB C=CCNC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)cc1 22277415 CYWBBGVADOFVQO-UHFFFAOYSA-N 392.908 3.454 30 40 GGEB Cc1cc(C)cc(-n2ccnc2SCc2cc(O)n3ncc(C#N)c3n2)c1 40114275 WWXHXKDMVASKBI-UHFFFAOYSA-N 376.445 3.401 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)C[C@H](NC(C)=O)c2cccs2)n1 48303264 UZKKMZVMFZTBKS-ZDUSSCGKSA-N 385.449 3.397 30 40 GGEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3cccc([N+](=O)[O-])c3)o1)[C@H]1C=C[C@H]2CC1 408718762 GTLQPEXELLALLF-PXFFWOTISA-N 391.383 3.386 30 40 GGEB CCNC(=S)N/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 58823012 RAEXKTOGMDRAKG-VCHYOVAHSA-N 389.393 3.113 30 40 GGEB CCOC(=O)c1sc(NC(=O)Cn2cc(C#N)c(=O)c3ccccc32)cc1C 57741290 QBMFGOKUCRMICC-UHFFFAOYSA-N 395.440 3.059 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12761674 TZJCQLUFFQTYDV-RBZFPXEDSA-N 384.505 3.266 30 40 GGEB CCn1cnc2c(-c3ccccc3)cn(CC(=O)Nc3ccc(C#N)cc3)c2c1=O 48989528 IZRABBPDDNRTMN-UHFFFAOYSA-N 397.438 3.395 30 40 GGEB C[C@H](Oc1cccc(C#N)c1)C(=O)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 72303602 MROIAGLCNUHKOM-LBPRGKRZSA-N 376.372 3.083 30 40 GGEB C#CCSc1nnc(NC(=O)CSc2nc3cc(C)ccc3[nH]2)s1 35655344 SMWPXMJNYZSMRI-UHFFFAOYSA-N 375.504 3.179 30 40 GGEB CCN(C(C)=O)c1nc(/C=C/C(=O)c2cccc(N3CCOC3=O)c2)cs1 48325064 DYMSUJKRAYPECY-BQYQJAHWSA-N 385.445 3.369 30 40 GGEB Cn1nc(-c2ccccc2)cc1C(=O)N1CCC(Oc2ncccc2C#N)CC1 96102847 ADXDWZWPUVJQQV-UHFFFAOYSA-N 387.443 3.037 30 40 GGEB CCCCCCCNCc1cc(Br)c(OCC(N)=O)c(OC)c1 98046259 BACLYKKWCNCNEB-UHFFFAOYSA-N 387.318 3.382 30 40 GGEB N#Cc1ccsc1NC(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 12979591 UXAILXLBJIVVOU-UHFFFAOYSA-N 379.228 3.275 30 40 GGEB CC(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccc(NC(=O)CC#N)cc1 2636941 VRWNEUVOMNUOPQ-UHFFFAOYSA-N 393.443 3.133 30 40 GGEB COc1ccc(-c2nc(NCc3ccc4c(c3)OCO4)nc(O)c2C#N)cc1 40129953 DGRASKFZTGODKF-UHFFFAOYSA-N 376.372 3.070 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCc2cnn(-c3ccccc3)n2)nc1C 40127525 DQUWQMXOBPQYAH-UHFFFAOYSA-N 379.445 3.311 30 40 GGEB CCCC1(CCC)C(=O)NC(=O)N/C1=N\CCc1ccc(OC)c(OC)c1 828440 DCNNINQGIDKUOZ-UHFFFAOYSA-N 375.469 3.071 30 40 GGEB biogenic COc1ccc(/N=C2\S[C@H](C(N)=O)CC(=O)N2CCCc2ccccc2)cc1 872371 UNRSXNSAPNUJLZ-NKWDDMGQSA-N 397.500 3.135 30 40 GGEB C=CCN(CC=C)C(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1 13693062 XHNAYLIARFFABX-UHFFFAOYSA-N 394.512 3.111 30 40 GGEB COc1ccccc1NC(=O)COc1c(Br)cc(C#N)cc1OC 13747503 OIEYDMDIECDYNV-UHFFFAOYSA-N 391.221 3.355 30 40 GGEB COc1ccc(-c2c[n+](CC(=O)Nc3cccc(OC)c3)c3n2CCC3)cc1 16955872 HAZQAKNQIZQWIU-UHFFFAOYSA-O 378.452 3.045 30 40 GGEB CCOC(=O)c1c(NC(=O)CC#N)sc2c1CCN(Cc1ccccc1)C2 20102042 GTJZMJNRMDXPOE-UHFFFAOYSA-N 383.473 3.335 30 40 GGEB CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccco1 20219355 AJBWWARXUBGZIQ-SFHVURJKSA-N 380.400 3.166 30 40 GGEB O=C1C=C/C(=N\Nc2ccc(S(=O)(=O)O)c3ccccc23)c2cccnc21 38810962 BGNXKHPMWFISHX-CJLVFECKSA-N 379.397 3.050 30 40 GGEB CCc1cc(C#N)c(NC(=O)CCc2c(C)nc3c(C#N)cnn3c2C)s1 40157072 PEOJCNCHOKUFBP-UHFFFAOYSA-N 378.461 3.285 30 40 GGEB CN(C)CCC/N=C/c1c(-c2ccccc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O 100256993 HJXNWAVBSFVLTK-PXLXIMEGSA-N 393.447 3.111 30 40 GGEB CCOc1ccc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1OCC 408727270 DVGUHISNIYDLAM-YIZBCVENSA-N 380.444 3.015 30 40 GGEB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(C#N)cc1 6035020 VBTAUGVPFPBTLO-NSHDSACASA-N 384.852 3.307 30 40 GGEB COc1ccc(/C=C2\Oc3cc(OCC(C)=O)ccc3C2=O)c(OC)c1OC 12878712 BCVZINPEOADOIO-NVMNQCDNSA-N 384.384 3.296 30 40 GGEB biogenic C=CCOc1c(CN2[C@@H]3CC[C@@H]2CC(O)(c2nccn2C)C3)cccc1OC 100765969 CEBMZQGRHNZBEB-QZTJIDSGSA-N 383.492 3.008 30 40 GGEB C=CCNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCCc3ccccc32)c1 29257607 AIKXKAGTJYSKJO-HXUWFJFHSA-N 384.501 3.301 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@H](c2ccccc2F)/C1=C(\O)c1cccs1 104173583 APFVSGNJGVJFPB-MNWMYKRDSA-N 387.417 3.365 30 40 GGEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCO2)c1ccc(F)c(F)c1 48616924 CXRAMFWGITWEQY-UHFFFAOYSA-N 389.763 3.083 30 40 GGEB CCOc1ccc(-n2nc(C(=O)O)c(/C=C/c3cccs3)c(C#N)c2=O)cc1 409195650 JWIGKUOTPRAWNF-MDZDMXLPSA-N 393.424 3.433 30 40 GGEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1cccc([N+](=O)[O-])c1 6719894 QIHLVQHPPJNOLN-UHFFFAOYSA-N 394.387 3.482 30 40 GGEB CCCCCCCCn1c(N2CCC[C@H](C)C2)nc2c1c(=O)[nH]c(=O)n2C 97987805 AXYKHIWNMMRNFX-HNNXBMFYSA-N 375.517 3.020 30 40 GGEB N#Cc1ccccc1NC(=O)O[C@H]1COCCN(c2nc3ccccc3o2)C1 96296509 GTXYARFMTMXVMB-OAHLLOKOSA-N 378.388 3.153 30 40 GGEB biogenic,in-vitro O=C1CCCC2=C1[C@H](c1ccc(F)cc1)c1c([nH]c(N3CCCCC3)nc1=O)N2 19820014 ZQGULBBCUJKLDN-KRWDZBQOSA-N 394.450 3.464 30 40 GGEB C/C(=N\OCC(=O)OCC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 7441854 NBRKXKJICWXCRH-VXLYETTFSA-N 395.820 3.297 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cccc(OC)c21 2715376 NWSXAOBPQHHCTC-MRCUWXFGSA-N 382.441 3.410 30 40 GGEB COc1cccc2cc(C(=O)Nc3ccc(F)c(F)c3)/c(=N\OC(C)=O)oc12 103217286 NXEYZTZASIXPSJ-FCDQGJHFSA-N 388.326 3.351 30 40 GGEB CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(O)c(OC)c1)C1=C(CCCC1=O)N2 100885232 VPDJKEMSMBOBDT-HNNXBMFYSA-N 399.472 3.161 30 40 GGEB COc1cccc(C(=O)O/N=C2\C[C@@H](NC(=O)C(F)(F)F)c3ccsc32)c1 1390620 AKWPZSQPRJNJRY-IHYLXSPPSA-N 398.362 3.441 30 40 GGEB CCN(C(=O)c1cccc(N2C(=O)CCC2=O)c1)[C@@H](C)c1ccc(C#N)cc1 58712809 HDDGKAHRJBGYMZ-HNNXBMFYSA-N 375.428 3.435 30 40 GGEB Cc1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3[N+](=O)[O-])C(=O)N2C)c1 101650852 BKLDMCNFKSGFCV-QBNCKDSPSA-N 398.444 3.493 30 40 GGEB C=CCN(c1ccc(C(=O)NCCCc2ccc(C)cc2)cc1)S(C)(=O)=O 10110503 ZQPUAAPTZMEKNF-UHFFFAOYSA-N 386.517 3.310 30 40 GGEB COc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(F)cc2)c(C#N)c1=O 409198401 FPTWTMWDYGKKTF-FLIBITNWSA-N 391.358 3.120 30 40 GGEB N#Cc1cccc(C(=O)N[C@@H]2CCc3nc(NCc4ccccc4)ncc3C2)c1 306142168 WRSMVBPHQUBFQM-HXUWFJFHSA-N 383.455 3.248 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCC(=O)OCC)c(Cl)c2)C1=O 409139702 DINHIRDVGPXGJI-MDWZMJQESA-N 399.230 3.014 30 40 GGEB Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)c1C 408962367 HUQGNIQDAVMDFW-YVLHZVERSA-N 381.457 3.059 30 40 GGEB N#Cc1cc(N)c(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1F 225870508 TUHFPEUQZCWYRV-UHFFFAOYSA-N 375.451 3.456 30 40 GGEB NC1=NCC(c2ccc(-c3ccccc3)cc2)=[N+]1/N=C/c1cccc([N+](=O)[O-])c1 1083096 CYEIRNOINBNVLQ-AFUMVMLFSA-N 384.419 3.426 30 40 GGEB CCCNC(=O)c1c(/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cnn1C 2798301 FSRDDSJOSHLTEP-SRZZPIQSSA-N 381.392 3.479 30 40 GGEB COc1cc([N+](=O)[O-])ccc1N/N=C/CCCN1C(=O)c2ccccc2C1=O 4350390 CYNAWMVSMWTOBT-KEBDBYFISA-N 382.376 3.078 30 40 GGEB C=CCn1c(CNC(=O)c2ccco2)nnc1SCc1ccc([N+](=O)[O-])cc1 9327831 GTSCDKYBGSEIHR-UHFFFAOYSA-N 399.432 3.188 30 40 GGEB C=CCN(CC=C)C(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3 9446384 MWMSIUFWLCTERS-UHFFFAOYSA-N 375.519 3.156 30 40 GGEB C#CCn1/c(=N\C(=O)c2cc(=O)c3ccccc3o2)sc2cc(F)cc(F)c21 12180809 IZPDKLAQVJVWNS-BSYVCWPDSA-N 396.374 3.462 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(\C)Nc2ccc(C)cc2)[C@H]1c1ccc(OC)cc1 15080752 HWPGKJZZUZNKSV-ICFXLVBESA-N 394.471 3.489 30 40 GGEB CCN(CC)CCCNC(=S)NCCNc1nc2c(C)cccc2cc1C#N 20151279 UCSIOAKOBFCGEZ-UHFFFAOYSA-N 398.580 3.023 30 40 GGEB C#CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2cccc3ccccc23)c1 40069581 NJAOZNCIUBMTPV-UHFFFAOYSA-N 392.480 3.024 30 40 GGEB CCOC(=O)C1=C(Nc2ccccc2)O/C(=C\c2cccc3c2OCO3)C1=O 40139813 RBAHLDCZQSUOFW-WJDWOHSUSA-N 379.368 3.242 30 40 GGEB CC(C)COc1ccccc1[C@@H](CC(C)C)Nc1c(C#N)c(=O)n(C)c(=O)n1C 72307346 JJGDKHVEKGKTFV-GOSISDBHSA-N 398.507 3.190 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1cccnc1 100508970 NWPTWSDWUZAHNX-NHFXJNLRSA-N 393.487 3.154 30 40 GGEB COc1ccccc1NC(=O)COc1ccc(Br)cc1/C=N/O 100966040 RKEDCAXAFNXKJJ-GIJQJNRQSA-N 379.210 3.283 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccco1 102879594 TXXBUOSWWYADDH-SELCWUDQSA-N 378.359 3.436 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(F)cc1 102883259 RTZQFSLQFCCVPI-WOOAAIBNSA-N 399.418 3.211 30 40 GGEB CCCCCCCCOc1ccc(C=C2C(=O)NC(=S)NC2=O)cc1OC 408538751 QELWHPKSGGNGNE-UHFFFAOYSA-N 390.505 3.349 30 40 GGEB CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(O)nc2ccccc2c1=O 409359308 NAASLBKJIVHCCL-CQSZACIVSA-N 380.448 3.228 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1CCSc2ccc(F)cc21 14234507 YRRZAUMKMRTJIK-QGZVFWFLSA-N 385.464 3.288 30 40 GGEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 69283917 HLABNNOUSJALQF-NXEZZACHSA-N 382.265 3.223 30 40 GGEB Cc1c(C#N)c(NC(=O)CN(C)Cc2ccsc2)n(C[C@H]2CCCO2)c1C 9593336 JZNYQWAUAPPNCP-QGZVFWFLSA-N 386.521 3.288 30 40 GGEB COc1cc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]nc(O)c32)cc1OC 18195885 RHEUEAZUUZECJU-MRXNPFEDSA-N 399.447 3.342 30 40 GGEB O=C(O)COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1 409404575 QAJZYTUDOMOUES-UHFFFAOYSA-N 399.406 3.409 30 40 GGEB Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCCC3)c(-n2cnnc2)c1 32646701 KKMJGKSEQDVSLO-UHFFFAOYSA-N 393.472 3.405 30 40 GGEB O=C1/C(=C\c2ccco2)SC(=S)N1/N=C/c1cc([N+](=O)[O-])ccc1O 3211667 VCJMXDFHKLFCBM-ZHSNXSORSA-N 375.387 3.129 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1ccc(C)cc1 12438240 RDHMHAOZWPIYSX-MPOVVXLQSA-N 388.470 3.435 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cccc(O)c2)no1 6187838 MJDIQLOSKQECPB-GOSISDBHSA-N 376.368 3.472 30 40 GGEB CC(C)Cc1nc(OCC(=O)NCCc2ccccc2)c(C#N)c2c1CCC2 32091440 SXBGGTZEJBRGTC-UHFFFAOYSA-N 377.488 3.378 30 40 GGEB O=C(O)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 102538971 DHIIVUAYLIQJPE-HVESIFNPSA-N 385.803 3.236 30 40 GGEB C#CCNC(=O)c1cccc(S(=O)(=O)N(CC=C)c2ccccc2Cl)c1 21903320 FWAIVXXXQUFZRT-UHFFFAOYSA-N 388.876 3.084 30 40 GGEB N#Cc1ccc(Cc2cnc(NC(=O)CCNC(=O)c3ccccc3)s2)cc1 25053500 VBPSSLABSZCXEA-UHFFFAOYSA-N 390.468 3.364 30 40 GGEB CCCCN1C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 102946795 YDYVKAYAHJZKQK-JZJYNLBNSA-N 383.364 3.466 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1nnc(-c2cccc(F)c2)n1 7149194 KWWXBJXHIRTALQ-UHFFFAOYSA-N 391.859 3.409 30 40 GGEB Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1c(C#N)oc2ccccc12 7737899 XESQFPSKIWLSIQ-UHFFFAOYSA-N 399.428 3.324 30 40 GGEB Cc1nnc(SCC(=O)Nc2c(C#N)c(C)c(C)n2C[C@@H]2CCCO2)s1 8324328 RWIQZDZUHGIRCF-ZDUSSCGKSA-N 391.522 3.046 30 40 GGEB O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)[C@H]1C=Nc1ccccc1 408529048 BXHUBGDBYNADRS-AWEZNQCLSA-N 386.205 3.051 30 40 GGEB C/C(=C\Cc1cc(C(=O)O)cc(CC[C@@H](C)C(=O)/C=C/C(C)(C)O)c1O)CO 49181259 MQIPJISWCOTCGQ-OJLBGTQHSA-N 390.476 3.036 30 40 GGEB biogenic,in-vitro CCn1c(NC(=O)c2cc(C)nn2C2CCOCC2)nc2cc(C#N)ccc21 602301112 PCQUPBLIKHSUTD-UHFFFAOYSA-N 378.436 3.037 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 103716913 RRYYOVIVKKXWET-QGZVFWFLSA-N 391.471 3.211 30 40 GGEB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)N[C@H]1c1cccc(C#N)c1 12999242 OHWWHICYWFJHNO-SFHVURJKSA-N 392.371 3.184 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)[C@H]1c1cccc(OC)c1 4312555 PKCCYDCEBPADJI-GOSISDBHSA-N 385.416 3.211 30 40 GGEB biogenic CN(/N=C/c1ccc(F)cc1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 4655992 GKNLHPKLCIBAPN-XQNSMLJCSA-N 397.502 3.462 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccccc1 17180874 CMIHFRYUFCPGHY-LJQANCHMSA-N 381.428 3.228 30 40 GGEB C#CCCN1CCN([C@@H](C)c2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 84667758 RCEFOSBCDQSRME-AWEZNQCLSA-N 378.398 3.457 30 40 GGEB CC(=O)c1cccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1 408742491 RHJNREROMFRKNC-CTJICSLTSA-N 399.859 3.309 30 40 GGEB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1/N=C\c1ccc2c(c1)OCO2 35183214 ADIGLTQTGZQNJU-NKVSQWTQSA-N 389.323 3.107 30 40 GGEB CCN(Cc1ccccc1)c1ccc(/C=N/Nc2ncnc(N)c2[N+](=O)[O-])cc1 5447017 AWGYZVINZYYZMY-WYMPLXKRSA-N 391.435 3.440 30 40 GGEB C=CCN(Cc1cccs1)C(=O)NCCNC(=O)c1ccc(C)c(F)c1 40071914 NBTONCNKVKBSJN-UHFFFAOYSA-N 375.469 3.323 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@@H]2c2ccc(F)cc2)o1 102515459 GJRFHHXQLMFTBE-IBOXJLQUSA-N 379.347 3.143 30 40 GGEB O=CC[C@H](O)[C@@H](O)COC(c1ccccc1)(c1ccccc1)c1ccccc1 4769180 MFDVHNZBVJVEJX-GOTSBHOMSA-N 376.452 3.306 30 40 GGEB Cc1ccc(S(=O)(=O)CC(=O)CC(=O)[C@H](C#N)c2cccc(Cl)c2)cc1 104273498 JANIZMKGYFLLAP-GOSISDBHSA-N 389.860 3.258 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 103716918 RRYYOVIVKKXWET-KRWDZBQOSA-N 391.471 3.211 30 40 GGEB Cc1cc(C)c2cc(C#N)c(N3CCCN(C(=O)C(F)(F)F)CC3)nc2c1 20151509 OVUJCOUSEYYJEM-UHFFFAOYSA-N 376.382 3.324 30 40 GGEB N#Cc1cccc(C(=O)OCC(=O)NCCc2ccc(Cl)cc2Cl)c1 3509389 YOGHVPFBXUIPEH-UHFFFAOYSA-N 377.227 3.381 30 40 GGEB Cc1ccc(NC(=O)C[C@H]2S/C(=N\c3ccc4c(c3)OCCO4)NC2=O)cc1 6826115 NNONZHJGMUNBMU-QGZVFWFLSA-N 397.456 3.014 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@H]2c2ccc(C)cc2)cc1 19902900 UDDHIRXDGVSFGZ-FQEVSTJZSA-N 394.471 3.144 30 40 GGEB C[C@@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)N1c2ccccc2C[C@H]1C 5813033 PHKMEVGFFALZSE-HUUCEWRRSA-N 391.427 3.062 30 40 GGEB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)n2ncc(C#N)c2N1 101486299 HYCQWYDRJIJOPL-HXUWFJFHSA-N 399.410 3.411 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccncc2)cc1 102541332 KXHPVBMSCFSQEG-YDJIHCHBSA-N 385.423 3.407 30 40 GGEB COc1cc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)cc(OC)c1OC(C)=O 1251349 KNWGYKQWHSVXAE-JAIQZWGSSA-N 398.444 3.432 30 40 GGEB N#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1 106708941 YXWWPOOMJSWCQR-ATVHPVEESA-N 393.424 3.264 30 40 GGEB N#Cc1ccc(OC[C@H](O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)cc1 14076228 KCXNKPIHOYUVOH-CYBMUJFWSA-N 390.226 3.015 30 40 GGEB C=CCOc1c(I)cc(/C=C2/C(=O)ON=C2C)cc1OC 408939420 MLDWUCSUWWUMJY-IZZDOVSWSA-N 399.184 3.181 30 40 GGEB COc1c2c(cc3c1[C@H](CC(=O)/C=C(/O)C(F)(F)F)[N+](C)(C)CC3)OCO2 1280066 OTBPTRIZACIXAM-LBPRGKRZSA-O 388.362 3.061 30 40 GGEB biogenic O=C(Cc1cccs1)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1 8355466 FDSRAEUSQOVNPR-UHFFFAOYSA-N 391.518 3.180 30 40 GGEB COc1ccc(C)c2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc12 2086867484 RQXAXIWODKVZKC-HOTGVXAUSA-N 391.500 3.453 30 40 GGEB C#CCn1/c(=N/C(=O)/C=C/c2cccs2)sc2cc(NC(C)=O)ccc21 100875838 GKKBSSKRKCGNQR-MBTKWPSXSA-N 381.482 3.497 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(N(C)C)cc1 3187800 FYGKKWNXKYNZFR-KRWDZBQOSA-N 384.476 3.243 30 40 GGEB COc1ccc([C@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c(OC)c1 4855685 FMBYCPFMBKMTOE-DGQTTZFYSA-N 392.415 3.213 30 40 GGEB CCC(=O)OC/C(CC(=O)NCCc1ccccc1)=N/CCc1ccccc1 100268630 DFTAMAJVIKJINI-DARPEHSRSA-N 380.488 3.372 30 40 GGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(Br)cc2)c2ccccc21 4164520 UBRMUYNKKSAFIT-IBGZPJMESA-N 386.245 3.442 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1 4311306 IVUNTGRYZAUMEI-NHFXJNLRSA-N 378.472 3.368 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)N(C)c1ccccc1 7672265 KDIYYXSUHPICSG-HNNXBMFYSA-N 377.400 3.459 30 40 GGEB Cc1ccccc1-c1nc(/C(O)=N/S(=O)(=O)C[C@H]2CCCCO2)cs1 67632680 BOUPHPFJOPELLT-CYBMUJFWSA-N 380.491 3.322 30 40 GGEB CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)N(C)CCC#N 5413702 UHOSUODWKJPGKS-IRXDYDNUSA-N 386.496 3.337 30 40 GGEB biogenic,in-vitro C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)N2CCc3ccccc32)cc1 5638965 UHXUKSCGIWLZNQ-UHFFFAOYSA-N 382.485 3.252 30 40 GGEB COc1cc(/C=N/O)cc(Br)c1OCC(=O)Nc1ccccc1 13747490 UFXWTDYZGMMRQW-GIJQJNRQSA-N 379.210 3.283 30 40 GGEB COc1ccc(NC(=O)[C@H]2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)cc1 4576855 SMXCYBBSDCPECC-BWORXHKJSA-N 387.436 3.424 30 40 GGEB N#Cc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(-c3ccsc3)cc2)cc1 575610137 KRKGENNSAOJVIE-IBGZPJMESA-N 384.482 3.299 30 40 GGEB CCC(=O)C1=C(c2ccc3c(c2)CCCC3)N(C(=O)CC)n2cnnc2S1 4518323 GBQDDVMSQPWXDC-UHFFFAOYSA-N 382.489 3.485 30 40 GGEB CCCCCCCCCCCCCCOC[C@@H](O)CN(CCO)CCO 104209391 AYXJWIQFIIVOFR-NRFANRHFSA-N 375.594 3.352 30 40 GGEB CN(C)c1ccc(/C=N/N=C2/NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 4119001 WKAFOHLDKXQQKE-QTLAEQSKSA-N 393.516 3.413 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1 15395608 IEWKHLMHZBLUEA-UHFFFAOYSA-N 397.500 3.156 30 40 GGEB N#Cc1cccc(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 8310329 OYSNSKXYSCJZND-IBGZPJMESA-N 377.444 3.495 30 40 GGEB COc1ccc(/C=C2\Oc3cc(C)c(CN4CCOCC4)c(O)c3C2=O)cc1 23127114 OBMBBPZXDIEYBO-UNOMPAQXSA-N 381.428 3.158 30 40 GGEB O=C1ON=C(/C=C/c2ccc([N+](=O)[O-])cc2)/C1=C/c1cccc([N+](=O)[O-])c1O 35506769 OAVXCQGIMUALLO-NHZNEZGNSA-N 381.300 3.218 30 40 GGEB CCCCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462146 GGZGPEHKUALVKF-UHFFFAOYSA-N 378.476 3.282 30 40 GGEB CC(C)(C)c1ccc(OCC(=O)N2CCN(c3ccc(N)cc3C#N)CC2)cc1 70462167 IDXBDXUDUYHXEC-UHFFFAOYSA-N 392.503 3.166 30 40 GGEB N#Cc1ccc2nc(CO[C@H]3CN(Cc4ccc(F)c(F)c4)C[C@H]3F)[nH]c2c1 96112282 MCPORUXQERZWMA-APWZRJJASA-N 386.377 3.452 30 40 GGEB biogenic,in-vitro CCCCCCCCOc1ccc(C=c2sc3n(c2=O)CCN=3)cc1OC 585680352 YAVCEOXLTQCBNF-UHFFFAOYSA-N 388.533 3.120 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 100937028 UFTNEYPSVAJLBM-RGEMVIMISA-N 380.535 3.041 30 40 GGEB COc1cccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)c1 794995 BIDPDUMNLFPJSJ-YJBOKZPZSA-N 383.400 3.046 30 40 GGEB COc1ccc(/C=C2\CS(=O)(=O)C/C(=C\c3ccc(OC)cc3)C2=O)cc1 8642386 NXXRLIAVYCJUJL-JYFOCSDGSA-N 384.453 3.168 30 40 GGEB N#Cc1cc2c(nc1SCC(=O)c1ccc3c(c1)OCO3)C1CCN2CC1 12958719 RZFGTVILPSILCZ-UHFFFAOYSA-N 379.441 3.354 30 40 GGEB N#Cc1c(CCCNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])n[nH]c1N 6909253 LWHNQZODYZBEJR-UHFFFAOYSA-N 390.403 3.047 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514074 BCCYQJWVJNWMJZ-QKNQBKEWSA-N 399.468 3.016 30 40 GGEB CC(C)n1ncc2c1NC(=O)[C@H]([N+](=O)[O-])[C@@H]2c1ccc(F)c(Br)c1 100254867 YCYTWLGPHASAOL-CHWSQXEVSA-N 397.204 3.095 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@@H]1c1ccc(F)cc1 102873293 OGYUZKJPVRJKAY-WOOAAIBNSA-N 399.418 3.211 30 40 GGEB COc1ccc([C@@H]2/C(=C(\O)c3cccs3)C(=O)C(=O)N2C[C@@H]2CCCO2)cc1 102856737 KFUJLKUSMMLATH-SASZOBLLSA-N 399.468 3.357 30 40 GGEB C=CCc1ccc(OC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c(OC)c1 1703574 MTPBVGILKQSJAV-UHFFFAOYSA-N 390.461 3.285 30 40 GGEB COCc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)oc2ccccc12 24527383 YDWMUAZMYVMEHA-UHFFFAOYSA-N 389.455 3.409 30 40 GGEB C=CCCO[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 57992938 MSKGDIFDWPJBNL-INIZCTEOSA-N 380.510 3.171 30 40 GGEB C#CCOc1cc([C@@H]2CC(O)=Nc3nc(N4CCOCC4)sc32)ccc1OC 36360862 AMFYOEYNJOWHIL-AWEZNQCLSA-N 399.472 3.124 30 40 GGEB O=C1N/C(=N/c2ccccc2)S/C1=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 59459373 DQVGENUILIGVAX-NTUHNPAUSA-N 386.345 3.100 30 40 GGEB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H]2C(=O)Nc2cccc(C#N)c2)c(C)c1 25053580 ARYLKYYIEJZORY-LJQANCHMSA-N 397.500 3.275 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccc(C)cc1 4519839 GIQKJMIXZGTSIB-UHFFFAOYSA-N 386.506 3.330 30 40 GGEB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(C#N)cc1)n2Cc1ccccc1 9594988 YSFWLVOJVJOIMT-UHFFFAOYSA-N 399.454 3.273 30 40 GGEB COc1cc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)ccc1O 9009236 OGNGCBLOJZRQOI-KRWDZBQOSA-N 396.355 3.073 30 40 GGEB COc1cc(C=Nn2c(O)nc3ccccc3c2=O)ccc1OCC(C)(C)C 409344864 LDNIQYOXCKYXDK-UHFFFAOYSA-N 381.432 3.418 30 40 GGEB COc1cc(Cl)cc(C=Nn2c(O)nc3ccccc3c2=O)c1OC(C)C 409360458 PRHCKKODWVRKOC-UHFFFAOYSA-N 387.823 3.434 30 40 GGEB CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@@H](CO)OS(C)(=O)=O 72400198 WGUHNEUPBLNWLP-GUDVDZBRSA-N 396.590 3.137 30 40 GGEB in-vitro COc1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@](C#N)(C(=N)O4)C2(C#N)C#N)c(OC)c1 5066449 WFPVKCNKMSFYHM-XWDORNJCSA-N 392.415 3.213 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(F)cc1 17146922 QZINGAHGYZSLEP-IBGZPJMESA-N 399.418 3.367 30 40 GGEB N#Cc1cccc(NC(=O)C2CCN(Cc3nc(-c4ccccc4)no3)CC2)c1 51317144 IFILCFVSWXCINQ-UHFFFAOYSA-N 387.443 3.459 30 40 GGEB COc1cc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 9225536 OPTNWEHEYMZDKQ-HXPMCKFVSA-N 378.388 3.001 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccncc2)c1 6134325 TUUNWTIOMANMRG-IBGZPJMESA-N 396.443 3.095 30 40 GGEB O=C(O)CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O 409074943 OUQCGMDYNOSJAZ-UHFFFAOYSA-N 381.428 3.280 30 40 GGEB COCc1cc(C)nc(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1C#N 9096566 XBZNAKFYIVEXSL-UHFFFAOYSA-N 390.396 3.186 30 40 GGEB C=CCN1CC[C@]2(CN(C(=O)c3ccc(C)s3)C[C@@H]2c2nccs2)C1=O 306123827 AXZXYEPRTIVCHQ-AUUYWEPGSA-N 387.530 3.157 30 40 GGEB CCn1cc(-c2cc(C(F)(F)F)nc(N/N=C/c3c(C)nn(C)c3F)n2)cn1 252499821 SFJPSKXHQRVRHU-QPSGOUHRSA-N 396.352 3.006 30 40 GGEB N#Cc1ccc(S(=O)(=O)N2CC(n3c(C4CC4)nc4ccccc43)C2)cc1 1775972735 TUCJPVKFGYOPIA-UHFFFAOYSA-N 378.457 3.031 30 40 GGEB C/C(=N\c1ccc(C(=O)O)cc1)c1cc2c(=O)n(C)c3ccccc3c2oc1=O 12362710 PKGWKAIBYGTXGJ-FSJBWODESA-N 388.379 3.484 30 40 GGEB Cc1c(NC(=O)[C@H](C)OC(=O)CCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] 28496426 QIXYOEBHFFWAES-AWEZNQCLSA-N 381.388 3.278 30 40 GGEB CN1C(=O)[C@](O)(CC(=O)/C=C/c2ccccc2)c2cc(Br)ccc21 4554983 COTKAJPNMKURPV-XSBJJCPUSA-N 386.245 3.286 30 40 GGEB COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c([N+](=O)[O-])cc1O 5879688 RDMVMRNIVXRKQS-VIZOYTHASA-N 389.364 3.340 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2cccnc2)c1 6134322 FBLNYKZTPZEMSH-IBGZPJMESA-N 396.443 3.095 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccnc2)cc1 102935196 RPSAILNKOUXLKL-YDJIHCHBSA-N 385.423 3.407 30 40 GGEB C=CCN(Cc1ccc(C(=O)NC2CC2)cc1)S(=O)(=O)c1ccc(C)cc1 224478828 OCDJYOUZJMKRAB-UHFFFAOYSA-N 384.501 3.264 30 40 GGEB C=CCOc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(Cl)cc2)cc1 224721691 BDCQIMCYCSGBOC-UHFFFAOYSA-N 381.837 3.185 30 40 GGEB Cc1cc(/C=N/N2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)c(C)n1-c1ccccc1 408586133 BJXCXECYZUQSSU-KZHIMACOSA-N 385.467 3.481 30 40 GGEB C=CCc1cc(/C=N\c2cccc(C(=O)OC)c2)cc(OC)c1OCC(=O)O 408856995 MLJPLKLLUNTXPG-UUYOSTAYSA-N 383.400 3.424 30 40 GGEB O=C1ON=C(c2ccc(Cl)c([N+](=O)[O-])c2)/C1=C/c1cccc([N+](=O)[O-])c1O 55253241 VDCRCPUVLADEQB-POHAHGRESA-N 389.707 3.207 30 40 GGEB COc1ccc(/N=C2/S[C@H](C(=O)Nc3ccccc3OC)CC(=O)N2C)cc1 83309704 KUDGLNNBGFRKFY-UAFUQJIBSA-N 399.472 3.294 30 40 GGEB Cc1nc(S[C@@H](C)C(=O)NCc2ccc3c(c2)OCO3)c(C#N)c(C)c1C 5172456 ZLCWAJLCMIJFBA-AWEZNQCLSA-N 383.473 3.404 30 40 GGEB N#CCn1c(CSc2nnc(C3CC3)n2C2CC2)nc2ccccc2c1=O 7903178 DKKUVVCNZFZIIE-UHFFFAOYSA-N 378.461 3.016 30 40 GGEB Cc1cc(=O)[nH]c(N/N=C/c2cn(-c3ccccc3)nc2-c2cccs2)n1 17820325 RQYYECHAJWDRRR-RGVLZGJSSA-N 376.445 3.439 30 40 GGEB O=C(O)CCN1C(=O)C(O)=C(C(=O)c2ccc(Cl)cc2)[C@H]1c1ccccc1 19369851 QTBNVUYILADORA-QGZVFWFLSA-N 385.803 3.393 30 40 GGEB C#CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cccc(Cl)c21 100910439 SGXNYUNFVSQFGA-DSGGYQJVSA-N 384.844 3.257 30 40 GGEB CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(Br)cc1 1248730 XUFVTJAZERLTGY-MRXNPFEDSA-N 387.233 3.329 30 40 GGEB N#Cc1cc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2nc1N 20029335 CPYMTZLBEKZANN-UHFFFAOYSA-N 393.350 3.483 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccnc1 20191207 OLDHXSYENNHXFL-IBGZPJMESA-N 397.450 3.141 30 40 GGEB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)[C@H](C#N)C(=O)c1ccc(OC)cc1OC 103613563 OYPHVZVNZQADBQ-OAHLLOKOSA-N 398.415 3.031 30 40 GGEB Cc1ccccc1S(=O)(=O)/N=C(\O)CSc1ccc2c(c1)OCCO2 48424648 OTXSTRYFUUNCIX-UHFFFAOYSA-N 379.459 3.204 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl 408807718 OMCHLJNCAVLUKV-RVDMUPIBSA-N 394.814 3.327 30 40 GGEB Cc1csc(NC(=O)CSc2nc3cc4c(cc3cc2C#N)OCO4)n1 35311090 IPOSWBZBLGUTFG-UHFFFAOYSA-N 384.442 3.331 30 40 GGEB O=c1c2ccccc2nc(N/N=C\c2ccc([N+](=O)[O-])o2)n1-c1ccccc1 33334635 HEWGEUUTHHTMDV-NDENLUEZSA-N 375.344 3.333 30 40 GGEB C=CCOc1cccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)c1 225777165 YSDUGWGPJZUYDE-UHFFFAOYSA-N 396.560 3.490 30 40 GGEB C=CCN1C(=O)CS/C1=N/Nc1nnc(-c2ccccc2)n1-c1ccccc1 5260687 UMZKIWLXRPTZJT-HIXSDJFHSA-N 390.472 3.379 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1cccc(OC)c1 102712059 LETOHCPMIHYSTN-GROYHEBESA-N 387.457 3.215 30 40 GGEB C#CCn1c([C@@H]2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21 4033561 MNTAQNZNNOHQQP-OAHLLOKOSA-N 375.428 3.207 30 40 GGEB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1cccc(C#N)c1 4894983 YVUITIKALWAWSX-CYBMUJFWSA-N 379.445 3.267 30 40 GGEB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1 5130571 NGODTEODFLDQHP-UHFFFAOYSA-N 392.440 3.048 30 40 GGEB CC1(C)Cc2c(ccc3ccccc23)C2=C(C(=O)N3CCCCC3)C(=O)C(=O)N21 6763566 NXGMCBVCOKVFSK-UHFFFAOYSA-N 388.467 3.309 30 40 GGEB COc1ccc(/C=N/n2c(S)nnc2C(F)F)cc1COCC(F)(F)F 8493052 FGDKAFHMNCYVMC-DENHBWNVSA-N 396.341 3.474 30 40 GGEB Nc1nc(=O)c2c([nH]1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(Cl)cc1 8767139 JATWJDVZDIBCQO-ZDUSSCGKSA-N 376.803 3.171 30 40 GGEB O=S(=O)(c1ccc(/C(O)=N/c2nc(-c3ccc(F)cc3)n[nH]2)cc1)C(F)F 14247075 DKPYDNLMTVYZSQ-UHFFFAOYSA-N 396.350 3.243 30 40 GGEB COc1cccc([C@H]2O[C@@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c1OC 102682774 VQALKOBEXPPZEM-UAMLPYHUSA-N 392.415 3.213 30 40 GGEB C=CCOC[C@H](NC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)C(=O)O 262965153 JMNWYOQJGDQXNA-ZDUSSCGKSA-N 399.369 3.022 30 40 GGEB COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O 409033241 OFJMSIZGORARAH-UHFFFAOYSA-N 384.388 3.010 30 40 GGEB CC1(C)CN(C(=O)C2(C#N)CCOCC2)[C@H]1C1CCN(Cc2ccccc2)CC1 571024754 GLPWGVHNEBVOML-NRFANRHFSA-N 395.547 3.456 30 40 GGEB C=CCNC(=S)NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 5382781 BBUCRXVBVCCYOD-UHFFFAOYSA-N 392.492 3.336 30 40 GGEB N#C[C@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1cccc2ccccc12 19961501 KKHKPCBRTRSEBA-MSOLQXFVSA-N 399.454 3.137 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 20229938 GQKYUWQLUGQTSE-IBGZPJMESA-N 379.460 3.002 30 40 GGEB Cc1ccc(/N=C2\SCCCN2C(=O)CCN2C(=O)CCC2=O)cc1Cl 29475421 PYXJREVXBGUUNO-ZZEZOPTASA-N 393.896 3.141 30 40 GGEB CCOC(=O)Cn1/c(=N/C(=O)c2ccc(C#N)cc2)sc2c(C)cc(C)cc21 100910526 SZXXAGSBJNGLBO-LNVKXUELSA-N 393.468 3.496 30 40 GGEB Cc1nn(-c2ccccc2)c(COC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)c1C#N 103455666 YBXMHEQXTCQLDZ-TWVWUCKLSA-N 391.471 3.427 30 40 GGEB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 222868406 JQNPPSWAEHLQIN-UHFFFAOYSA-N 385.489 3.206 30 40 GGEB CCc1nnc(NC(=O)CSc2nc3ccc(OC)cc3cc2C#N)s1 4994027 NMXGXZDBSFVNOR-UHFFFAOYSA-N 385.474 3.260 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/CC(O)(C(F)(F)F)C(F)(F)F)c([N+](=O)[O-])c1 6511512 XZQOIJPSUCREFO-JJPRUIFNSA-N 390.196 3.147 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)COC(=O)Cc2ccc(Br)cc2)n1 7783816 YELQWUWZHAPCLN-ZDUSSCGKSA-N 393.262 3.176 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)o1 9234447 DALSTORSNFOQCT-PDGQHHTCSA-N 383.363 3.485 30 40 GGEB CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1C#N 12981532 VEPOZUUANVKYAA-UHFFFAOYSA-N 398.271 3.124 30 40 GGEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCCO2)c1ccc(F)cc1 42250163 BSXUYKBRMJLUPR-UHFFFAOYSA-N 385.800 3.334 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/C)Nc2ccc(OC)cc2)[C@@H]1c1ccccc1 100218744 NONZTONJRKWFIN-YKRMCXMESA-N 380.444 3.180 30 40 GGEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225100642 FLQPGBAHYDRJTB-UHFFFAOYSA-N 393.436 3.392 30 40 GGEB C#CCn1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c2ccccc21 409107420 RTKJKYCUOBOCMP-LICLKQGHSA-N 382.441 3.262 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2cccc(F)c2)N2NN=NC2=N1 1417470 KTFQHYBGKVPAPS-KRWDZBQOSA-N 393.378 3.042 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@H]1c1cccs1)c1cccs1 1767217 YBZMHMCXAJUIEE-NSHDSACASA-N 375.456 3.444 30 40 GGEB C=CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OC)c(OC)c1 2069393 PTEHMBXCAAUDFQ-FQEVSTJZSA-N 383.444 3.401 30 40 GGEB C=CCN/C(S)=N/N=C\c1cc(Br)cc(Br)c1O 12363491 YHVZPGMZFWIXGH-UUASQNMZSA-N 393.104 3.313 30 40 GGEB Cc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N/N=C/c3ccccc3)S2)cc1C 9012023 KHYXBSCJTCPFIF-RHLNUJDMSA-N 380.473 3.254 30 40 GGEB COc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 6141674 UWOVKWJZBWHREO-GFCCVEGCSA-N 379.445 3.471 30 40 GGEB C=CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccncc1 5471893 XDSYZMXIDSQGGQ-KRWDZBQOSA-N 379.489 3.448 30 40 GGEB N#CCSc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1 9726240 FTTOFXNUHQRCJU-UHFFFAOYSA-N 376.235 3.416 30 40 GGEB C=C[C@H](C)N1C(=O)S/C(=C\c2ccc(O[C@@H](C)C(=O)O)c(OC)c2)C1=O 409011876 OTJJCABDOORBGF-DNNIXFFWSA-N 377.418 3.158 30 40 GGEB O=C1NC2(CCCCC2)C(=O)N1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 8404654 AZUXBEDBWIOIGD-UDWIEESQSA-N 382.376 3.443 30 40 GGEB O=c1c2ccccc2nc(O)n1N=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 409357420 IAXPTNDQOVLMBV-UHFFFAOYSA-N 376.328 3.153 30 40 GGEB C=C(C)C(=O)Nc1cccnc1Oc1ccc(N2CCN(C(C)=O)CC2)cc1 72405563 ABCHLVGSOVRRJL-UHFFFAOYSA-N 380.448 3.057 30 40 GGEB COCc1cc(C)nc(N/N=C/c2cc([N+](=O)[O-])ccc2N2CCCC2)c1C#N 409006763 KTYXVRUDDOSPSW-WSDLNYQXSA-N 394.435 3.363 30 40 GGEB COCCC/N=C(\S)NCCCNc1nc2cc(C)cc(C)c2cc1C#N 13598935 DOKQGIRVWSSXKL-UHFFFAOYSA-N 385.537 3.437 30 40 GGEB N#Cc1ccc(OCC(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 25339268 GDWOFTIJEUZWHZ-UHFFFAOYSA-N 398.772 3.233 30 40 GGEB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN1/C=C/C(=O)C(F)(F)F 4175666 FKUYLYZJOQMFRZ-YPUOHESYSA-N 391.187 3.497 30 40 GGEB C=CCn1cc(/C=C2/SC(=O)N(CC(=O)N3CCCC3)C2=O)c2ccccc21 4933205 FAMLWCQHZIVDBS-LDADJPATSA-N 395.484 3.486 30 40 GGEB CC(C)[C@H](C)CS(=O)(=O)OCCCCOS(=O)(=O)C[C@@H](C)C(C)C 100229866 BSIWORPCWLQVBJ-HZPDHXFCSA-N 386.576 3.044 30 40 GGEB O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1 1826509 XHURYJUTLLPSON-LBVATQBMSA-N 395.435 3.244 30 40 GGEB COc1cc(/C=N\O)cc(Br)c1OCC(=O)Nc1ccccc1F 108985870 BDIUROMHSRWUNZ-UWVJOHFNSA-N 397.200 3.422 30 40 GGEB C[C@@H](NC(=O)CN1C(=O)CS/C1=C\C(=O)C(C)(C)C)c1ccc(F)cc1 23714314 SAVMREVCGWYTMV-HALGXTDHSA-N 378.469 3.035 30 40 GGEB Cc1ccc(Oc2ccccc2NC(=O)Cn2nc(C)c(C)c(C#N)c2=O)cc1 13006625 IDAAYHBXTIOEED-UHFFFAOYSA-N 388.427 3.471 30 40 GGEB CC1=CC(=O)C2=C(C)C[C@H](OC(=O)C(C)(Cl)Cl)[C@H]3[C@H](C)C(=O)O[C@@H]3[C@@H]12 4064989 QDLWVCARPPNRNL-RDEFGAFOSA-N 387.259 3.135 30 40 GGEB biogenic CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(F)cc1F 4476366 YUNQXILFSVYMCG-HNNXBMFYSA-N 377.387 3.455 30 40 GGEB C=CCNC(=S)N/N=C/c1ccc(OCCOc2ccccc2C)c(OC)c1 4551266 SGZLBMXRMPSPHD-HZHRSRAPSA-N 399.516 3.445 30 40 GGEB COc1cc2oc(=O)cc(C)c2cc1CC/C(O)=N/c1nc(C(F)(F)F)n[nH]1 95478776 LWPUJEXORUNQAR-UHFFFAOYSA-N 396.325 3.468 30 40 GGEB CC(=O)c1ccc(N2C(=O)C[C@H](S/C(=N\C#N)Nc3ccccc3)C2=O)cc1 113480893 ULJRRTVDCHNDCM-KRWDZBQOSA-N 392.440 3.203 30 40 GGEB Cc1ccc(N2C(=O)[C@@H](/C=N\c3ccc4ncccc4c3)C(=O)NC2=S)cc1 408762740 MBRVGQXUVVIYBF-QWUOEIFBSA-N 388.452 3.310 30 40 GGEB N#CCCN(CCN1CCOCC1)C(=O)CCCSc1ccc(Cl)cc1 60634099 RMQVMZMUNQKOBA-UHFFFAOYSA-N 395.956 3.287 30 40 GGEB CC(=O)c1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)cc1 13573316 ULJRRTVDCHNDCM-QGZVFWFLSA-N 392.440 3.013 30 40 GGEB C[C@H](NC(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 32888377 IMKCPVOSCADLFP-PMACEKPBSA-N 390.531 3.332 30 40 GGEB CCOc1ccc2nc(N=C3NCN([C@H]4CCCC[C@@H]4C)CN3)nc(C)c2c1 19325320 YOFZYRBTBVRWFU-LIRRHRJNSA-N 382.512 3.313 30 40 GGEB N#Cc1cccc(S(=O)(=O)N2CCCN(Cc3ccc(Cl)cc3)CC2)c1 54423014 LRQPPJAFEOYYGE-UHFFFAOYSA-N 389.908 3.108 30 40 GGEB CCc1cc(N(CCC#N)CCCN(C)C)nc(-c2ccc([N+](=O)[O-])cc2)n1 79099021 LITYILWMHBPWIS-UHFFFAOYSA-N 382.468 3.286 30 40 GGEB CCCCN/C(O)=N/S(=O)(=O)c1ccc(/N=C/c2ccccc2O)cc1 2134376 OYWWNYFWJLOUAI-DEDYPNTBSA-N 375.450 3.135 30 40 GGEB CCOC(=O)C1=C(NC(=O)c2ccccc2)S/C(=C\c2ccccc2O)C1=O 409051218 JHTNZHHEBHSFAI-VBKFSLOCSA-N 395.436 3.254 30 40 GGEB COc1ccc([N+](=O)[O-])cc1/C=N\Nc1nnc2c(n1)[nH]c1c(C)cccc12 33943212 VSLOONXXECZZBX-OCKHKDLRSA-N 377.364 3.177 30 40 GGEB C[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O 218468254 STQYBXZXPNYJOJ-CYBMUJFWSA-N 391.880 3.199 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C)ccc1C 32507196 WIOYGERIOHGROO-ZNWLFMFGSA-N 394.562 3.341 30 40 GGEB COc1ccc2cc(C(=O)N3CCC(Oc4ncccc4C#N)CC3)[nH]c2c1 96119300 GLQXNXJYTFJMMD-UHFFFAOYSA-N 376.416 3.127 30 40 GGEB COc1cc(/C=N/N=C/c2ccc(OC(C)=O)c(OC)c2)ccc1OC(C)=O 2181560 FACGGJDKFASHOV-XHQRYOPUSA-N 384.388 3.007 30 40 GGEB C#CCOc1c(CC=C)cc(/C=C2\SC(=O)N(CC#C)C2=O)cc1OCC 15012775 FFZRRHQHRDEKTJ-JXAWBTAJSA-N 381.453 3.495 30 40 GGEB C=CCN1CCN(C(=O)COC)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 19592845 YFPIHSMUWNSQPB-QFIPXVFZSA-N 392.499 3.016 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(OC)cc2)c2ccccc21 20721629 XCQMTDKVRRZLFD-HSZRJFAPSA-N 398.422 3.139 30 40 GGEB CN(C)C1=CC(=O)C(N2c3ccccc3Nc3cc(N(C)C)c(O)cc32)=CC1=O 1562527 YACDTSRHYYGKSW-UHFFFAOYSA-N 390.443 3.135 30 40 GGEB Cn1c(SCC(=O)Nc2ccccc2C#N)nc2cc(Cl)ccc2c1=O 3332080 BFGXBDVONBDQCQ-UHFFFAOYSA-N 384.848 3.189 30 40 GGEB CSc1ccccc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(C#N)c1 3407544 NNVYMIMYKIZZHQ-AWEZNQCLSA-N 382.489 3.178 30 40 GGEB COc1ccc(CCNC[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@H]4C[C@H]23)cc1 4028698 SBUJQWNPHRABOX-MUWCXKAGSA-N 399.531 3.354 30 40 GGEB biogenic C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@@H]1CC(=O)Nc1ccc(F)cc1 4738785 REXJKISOGSBJIV-SFHVURJKSA-N 381.407 3.486 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 17007073 QQZTUTMXQURVJC-CYBMUJFWSA-N 383.452 3.251 30 40 GGEB COc1ccc(OC)c([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c1 22608692 QBOOBJTXYCHZKV-FKIZINRSSA-N 392.415 3.304 30 40 GGEB Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NCCCO[C@@H](C)c1ccccc1 40025744 CYPIHDBQIILZGF-KRWDZBQOSA-N 381.476 3.080 30 40 GGEB COc1ccc(OC)c([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c1 85409039 VCECBJIONXVWGO-KRWDZBQOSA-N 390.399 3.126 30 40 GGEB CC(C)n1ncc2c(-c3ccc4c(c3)OCO4)c3sc(=O)n(CC#N)c3nc21 85412671 VQLLCZDFRSKRDM-UHFFFAOYSA-N 393.428 3.308 30 40 GGEB Cc1nn2c(N/N=C/c3cccc(C(F)(F)F)c3)nc3ccccc3c2nc1=O 97105490 AGDFFOHSAJPPEW-AUEPDCJTSA-N 398.348 3.411 30 40 GGEB CCOCCCN1Cc2ccc(NS(=O)(=O)c3ccc(C#N)cc3)cc2C1 97117183 FUEAOYIQJOXRCP-UHFFFAOYSA-N 385.489 3.101 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)o3)[C@@H]2c2ccc(O)cc2)no1 102532825 TZWMIZQSYWMOEB-HVESIFNPSA-N 380.356 3.216 30 40 GGEB O=C1NC(=O)N([C@@H]2C[C@H]3CC[C@H]2C3)C(=O)[C@H]1C=Nc1ccccc1C(F)(F)F 408534109 LIFGNSLGUWPLRM-JUFZMCDQSA-N 393.365 3.291 30 40 GGEB C=CCOc1cc(Br)c(/C=C2/NC(=O)N(CC)C2=O)cc1OCC 409232031 NMQMHPQLVCISIR-MDWZMJQESA-N 395.253 3.325 30 40 GGEB CNC(=O)[C@H]1CC(=O)N(Cc2cccs2)/C(=N/c2ccc(F)cc2)S1 1440995 OQAXMUMWOANVIK-LVHCJKAXSA-N 377.466 3.155 30 40 GGEB CCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 5488700 BAWAZAVFBKTFGI-FPYSRQLISA-N 393.317 3.005 30 40 GGEB O=C(O)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccccc1 19848794 LZQBWASLMFRJOO-GOSISDBHSA-N 383.375 3.269 30 40 GGEB C/C(=N\N=c1/[nH]n2cnnc2c2ccccc12)c1ccc(Br)s1 6780404 YIEOOZFIIZCYBV-GIJQJNRQSA-N 387.266 3.360 30 40 GGEB COc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(F)cc3)c(=O)c2C#N)cc1 409198233 AJYCVNJDCOKXEJ-WCIBSUBMSA-N 391.358 3.120 30 40 GGEB COc1ccc(-n2nc(C(=O)O)c(/C=C\c3ccc(F)cc3)c(C#N)c2=O)cc1 409206978 XWIOILRJPGOJQP-WCIBSUBMSA-N 391.358 3.120 30 40 GGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(OC)c(C)c2)S1 409078867 DLCCXMHOJPNOQO-PTNGSMBKSA-N 389.473 3.351 30 40 GGEB N#Cc1ccc(NC(=O)N2CCC3(CC2)CC(=O)N(Cc2ccccc2)O3)cc1 1549162823 WJZQKOOJAOPDTA-UHFFFAOYSA-N 390.443 3.289 30 40 GGEB C=CCc1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC 14400481 JKAFHDJBTWSFLG-UHFFFAOYSA-N 383.400 3.249 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C=O)[C@@]13O[C@H]3C[C@@H]2c1ccc(=O)oc1 119421995 LFLJTMIVTFTLOA-RJAICDFXSA-N 398.499 3.437 30 40 GGEB biogenic C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1C)C(C(=O)OC)=C(C)N2 9569594 NNTXLOPNOGHMEX-HNNXBMFYSA-N 383.473 3.361 30 40 GGEB Cc1c(/C=N/c2ccc3c(c2)C(=O)NC3=O)c(O)n2c(nc3ccccc32)c1C#N 6382052 NXYJEWLUELCWMW-YSURURNPSA-N 395.378 3.007 30 40 GGEB Cn1nnc2cc(C(=O)[C@H](C#N)C(=O)Nc3ccc(Cl)cc3Cl)ccc21 103798993 KHSHYFOFTBHHGL-NSHDSACASA-N 388.214 3.236 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OCC#N 4354240 KUJDOPILYAJXIK-QGZVFWFLSA-N 396.443 3.079 30 40 GGEB COc1ccc2[nH]c3c(=O)n(/N=C/[C@@H]4CC(C)=C(C)C[C@@H]4C)c(=O)[nH]c3c2c1 9166251 ZPDWUVYSLUJLPN-YHHINRMSSA-N 380.448 3.396 30 40 GGEB biogenic CN(/N=C/c1ccccc1O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 4387655 GBVLITIYOQOMPZ-CJLVFECKSA-N 395.511 3.028 30 40 GGEB C=CCc1cc(C(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc(OC)c1OC 14016988 HYOMNNAJYZJFKE-UHFFFAOYSA-N 382.460 3.451 30 40 GGEB N#Cc1c(NC(=O)CSc2nnc(N)s2)sc2c1CCCCCC2 4649089 NXTSAQKPPZNSSD-UHFFFAOYSA-N 379.536 3.443 30 40 GGEB COc1ccc(-c2n[nH]c(SCC(=O)[C@@H](C#N)c3nc(C)cs3)n2)cc1 7977052 IZLRNMQVDCZDCI-CYBMUJFWSA-N 385.474 3.214 30 40 GGEB CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=Nc1ccc(C(=O)O)cc1 408961430 CEUWTUBSAMQNBY-VHEPSXJQSA-N 399.384 3.232 30 40 GGEB Cc1cc(C)n(CC(=O)Nc2ccc(Br)c(Cl)c2)c(=O)c1C#N 409410903 ADXKDGOEIDUTRN-UHFFFAOYSA-N 394.656 3.391 30 40 GGEB N#Cc1cc(C#N)c(S[C@@H](C(=O)NC2CCCC2)c2ccccc2)nc1N 30831874 UYCZOPUHUAESGT-QGZVFWFLSA-N 377.473 3.299 30 40 GGEB N#Cc1ccc(-n2ccc(NC(=O)N3CCC(c4ccon4)CC3)n2)c(F)c1 1616044276 MQTFYBDBOWVBDN-UHFFFAOYSA-N 380.383 3.283 30 40 GGEB Cc1nc2nc(O)c3c(n2n1)NC1=C(C(=O)CC(C)(C)C1)[C@@H]3c1ccccc1 17885024 WWZQUBNUIFVZJT-HNNXBMFYSA-N 375.432 3.339 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccco1 20188628 TUMDRVKSAXRRKN-IBGZPJMESA-N 398.459 3.208 30 40 GGEB C=CCN(CCOc1ccccc1F)S(=O)(=O)c1ccc(NC(C)=O)cc1 32957889 AECMWVMGUPCSSK-UHFFFAOYSA-N 392.452 3.040 30 40 GGEB N#Cc1ccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 5181401 NHRPNJYWGCCWQG-UHFFFAOYSA-N 393.428 3.039 30 40 GGEB C=CCn1c(SCC2=NNC(=O)c3ccccc3O2)nnc1-c1ccccc1 9145319 TUVLXHIEZCHLMH-UHFFFAOYSA-N 391.456 3.359 30 40 GGEB O=C(/C=C\NCC(=O)c1ccccc1)c1ccc(I)cc1 16476555 KIMIGWWAZNLFEU-KHPPLWFESA-N 391.208 3.460 30 40 GGEB Cc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 19209016 DBAFNMCTUPUJFB-IBGZPJMESA-N 382.435 3.274 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)cc(C)c1 32505401 JVKYSKVISQMZCM-RGEMVIMISA-N 380.535 3.095 30 40 GGEB N#Cc1c(NC(=O)CN2CCN(c3ccccc3F)CC2)sc2c1CCC2 34872262 CLZFWYSYFFZZLR-UHFFFAOYSA-N 384.480 3.008 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccc(O)cc1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 102280088 WFCIZRPSHGNQIE-KRWDZBQOSA-N 392.459 3.030 30 40 GGEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)[C@H]2c2ccccc2F)cc1 102856864 GSYRCFFVCOLRAU-WOOAAIBNSA-N 399.418 3.293 30 40 GGEB Cc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)[C@@]2(C#N)C(=O)O)cc1 218419314 OJTOXKODBHAJFI-BQFCYCMXSA-N 375.833 3.183 30 40 GGEB COc1cc(N2CCOCC2)ccc1/C=N\Nc1ccc(C(F)(F)F)cn1 409231569 LHSUWWAMACMYOV-KSEXSDGBSA-N 380.370 3.392 30 40 GGEB COCCC/N=C(\S)N(Cc1cccnc1)Cc1ccc(OC)c(OC)c1 8690226 RBIHQMKIXCVWFF-UHFFFAOYSA-N 389.521 3.423 30 40 GGEB COc1ccc(/C=N/N=C2\S[C@H](CC(=O)O)C(=O)N2c2ccc(C)cc2)cc1 59475394 UCFFHQHCPQAVLD-RTLPLECASA-N 397.456 3.317 30 40 GGEB COc1cccc2[nH]c3c(=O)n(/N=C/C4=CC[C@@H]5C[C@H]4C5(C)C)c(=O)[nH]c3c12 9312864 NYSNJBQMKSVCSG-MGLNJVFBSA-N 378.432 3.006 30 40 GGEB Cc1sc2nc(SCC(=O)Nc3ccccc3C#N)n(C)c(=O)c2c1C 3364575 KAZCXGCSKIPXEZ-UHFFFAOYSA-N 384.486 3.214 30 40 GGEB CC(=O)/C(C(=O)OC(C)(C)C)=C1/N=C(NC(=O)c2ccco2)c2ccccc21 4368949 DFLZTHLZFASWRG-MSUUIHNZSA-N 380.400 3.112 30 40 GGEB COc1ccc2c(c1)O/C(=C\c1ccccc1OC(=O)N1CCOCC1)C2=O 4478788 HUKNMXSNZAMXCO-UNOMPAQXSA-N 381.384 3.142 30 40 GGEB C=CCOc1ccc(CN(C)C(=O)c2cc(NC(C)=O)cc(NC(C)=O)c2)cc1 6549172 RSMIGPAQCBTENB-UHFFFAOYSA-N 395.459 3.440 30 40 GGEB CCc1cc(=O)n2c3ccccc3n(CC(=O)Nc3ccc(F)cc3)c2c1C#N 6820871 XBLRSZGJTKZIAW-UHFFFAOYSA-N 388.402 3.466 30 40 GGEB C=CCc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(OC)c1O 16742373 WSYLQTFFYZOZNX-UVTDQMKNSA-N 393.486 3.195 30 40 GGEB N#C[C@@]1(C=O)[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 218211678 SNTUKNOLCVFLLZ-IXDOHACOSA-N 390.258 3.098 30 40 GGEB O=S1(=O)OC(F)(F)[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 97950000 VCMQXFBLVFCJCD-SCSAIBSYSA-N 396.561 3.343 30 40 GGEB O=C(COc1ccc2ccccc2c1)NCC#CCOc1ccc2c(c1)OCO2 90730780 HFUYXHLVTIIOED-UHFFFAOYSA-N 389.407 3.146 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(OC)c1O 1202391 TYUJTBYIHFQADZ-GZTJUZNOSA-N 392.411 3.104 30 40 GGEB N#Cc1cccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)c4ccncc4)C2)C3)c1 5397043 SRHKXGBRSWAYJN-FXAWDEMLSA-N 396.450 3.041 30 40 GGEB biogenic,in-vitro S=C(NCc1ccccc1)N/N=C/c1cc2c(cc1Br)OCO2 6223162 JJTWBYIXCPFLCC-DJKKODMXSA-N 392.278 3.176 30 40 GGEB COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(OC)cc1 3098409 NZQUEWAVLRAHMT-HXUWFJFHSA-N 399.487 3.489 30 40 GGEB N#Cc1ccccc1NC(=O)CCSc1cc(C(N)=O)c2ccccc2n1 13022025 NNPVICJOICIVRM-UHFFFAOYSA-N 376.441 3.326 30 40 GGEB C=CCc1cc(CN2CCN(Cc3ccccc3)[C@H](C#N)C2)cc(OC)c1O 95453842 OWSYJOUYMZYVIR-OAQYLSRUSA-N 377.488 3.339 30 40 GGEB Cc1cc(C)nc(N=C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)n1 9489160 GHPIVYVUHLHUCG-UHFFFAOYSA-N 399.454 3.379 30 40 GGEB C=CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 67194144 RGUIYUOMUWBXLG-UHFFFAOYSA-N 376.445 3.055 30 40 GGEB N#Cc1cnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nc1N 7045709 NKMMWMNWXPEHRP-UHFFFAOYSA-N 389.484 3.252 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1 40080503 VVFXBJPAELJBFG-UHFFFAOYSA-N 394.456 3.319 30 40 GGEB COc1ccccc1C/N=C1\NC(=O)[C@H](CC(=O)Nc2ccccc2C)S1 13069812 VVYBCEMJQNFBRT-KRWDZBQOSA-N 383.473 3.120 30 40 GGEB COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc(N)c(C#N)c(N)c32)c(OC)c1 85409062 IWGBJRKZJCEANA-QGZVFWFLSA-N 390.399 3.126 30 40 GGEB N#Cc1cccc(N2C[C@@]3(CCN(C(=O)/C=C/c4cccs4)C3)CC2=O)c1 1565551193 KLQMFVNOSFHGLU-BXKJMJEDSA-N 377.469 3.289 30 40 GGEB C=CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)NOC)ccc1Cl 23041177 NCWLXDVZEVTGJH-UHFFFAOYSA-N 380.853 3.013 30 40 GGEB O=C(Nc1cccc(C#Cc2ccccn2)c1)[C@@H]1CCCN(c2cnccn2)C1 29787088 TYDWRCRPCQXUKO-LJQANCHMSA-N 383.455 3.127 30 40 GGEB COc1ccc(NC(=O)[C@@H]2CC(=O)N(C)/C(=N/c3ccccc3OC)S2)cc1 13423875 PKRYKQPEBGPGAA-WXVFVKJXSA-N 399.472 3.294 30 40 GGEB CC(C)c1noc2ncc(C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc12 14197757 QPAOHXMPKCTTQH-UHFFFAOYSA-N 389.459 3.176 30 40 GGEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cnn(Cc3ccccc3)c2)cc1 9762267 ARVMJNDVGYJNJV-MDWZMJQESA-N 395.484 3.078 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)Cc3ccc(Br)cc3)CC2)cc1 17843406 IGXPVIDKUXIDSF-UHFFFAOYSA-N 398.304 3.208 30 40 GGEB C#Cc1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3OC(F)F)C2=O)c1 72286658 KXPFBBCQMOTGQS-OAHLLOKOSA-N 385.370 3.196 30 40 GGEB N#Cc1c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)sc2c1CCCCC2 84610022 ANSUESODIKBNEA-CQSZACIVSA-N 394.500 3.271 30 40 GGEB C=CCNC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224429665 XOJLROAVVVNYRW-UHFFFAOYSA-N 378.881 3.077 30 40 GGEB O=C(C[C@@H]1S/C(=N/N=C/c2ccco2)NC1=O)c1cccc2c1CCCC2 12080355 WZUXMSXBLCRZDD-IUOVYFEOSA-N 381.457 3.353 30 40 GGEB C[C@@H](O)c1ccc(C2(CNC(=O)C(=O)Nc3ccccc3C#N)CCCC2)s1 225685282 DYHHFPMSJCYEAR-CQSZACIVSA-N 397.500 3.240 30 40 GGEB Cc1nnc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@H]2c2ccccc2F)s1 102869999 WECFSJMUQYUOLX-SXWSKBOKSA-N 385.376 3.205 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1cccs1 102932991 XUCOPGFHAVUPCG-NLWPQFNZSA-N 387.432 3.488 30 40 GGEB Cc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1 1470344 HMYFLMAKQJRKMF-IBGZPJMESA-N 391.427 3.453 30 40 GGEB N#Cc1cnc(SCC(=O)Nc2ccc(Br)cc2Cl)nc1N 10349805 VPBKNJASWGFJEJ-UHFFFAOYSA-N 398.673 3.077 30 40 GGEB C=CCO[C@@H]1CCN2C(=O)c3cc(-c4ccc(F)cc4F)ccc3NC(=O)[C@H]12 8297143 RYIQBBZGOGYNLP-MOPGFXCFSA-N 384.382 3.370 30 40 GGEB biogenic,in-vitro CSc1ccc(C(=O)OCC(=O)Nc2sccc2C#N)cc1[N+](=O)[O-] 3444195 CTPRWZIHKUKHHZ-UHFFFAOYSA-N 377.403 3.045 30 40 GGEB CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2cccnc2)c1 6134352 FBLNYKZTPZEMSH-LJQANCHMSA-N 396.443 3.095 30 40 GGEB Cc1ccccc1-n1nc(C(=O)O)c(/C=C\c2ccc(F)cc2)c(C#N)c1=O 409206066 UXLAIPMDSFOJHU-FLIBITNWSA-N 375.359 3.420 30 40 GGEB N#Cc1ccccc1CS(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 8945390 BYAHMIAWLGHAPG-LJQANCHMSA-N 398.484 3.386 30 40 GGEB C=CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1Cl 224021036 NWOHSVLMOFCIHF-UHFFFAOYSA-N 380.853 3.065 30 40 GGEB O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1 5271111 KYSRLDWLRLKZNG-GPASRXLFSA-N 392.546 3.258 30 40 GGEB COc1ccccc1Nc1nc2nonc2nc1N/N=C/c1ccccc1F 5002647 KOHPVMFXWDUCLE-KEBDBYFISA-N 379.355 3.350 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1 4717928 ZRPHZYINOYRYBN-AUSJPIAWSA-N 379.412 3.073 30 40 GGEB COc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(C#N)cc3)sc2c1 5115070 QQZSTRZWWNAQLI-UHFFFAOYSA-N 380.473 3.385 30 40 GGEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)N2CCC(c3ccccc3)=N2)C1=O 102686605 LWBZDPRKWQPRFQ-QFIPXVFZSA-N 398.507 3.294 30 40 GGEB O=C(c1cccs1)N1CCC[C@@H](/C(O)=N/c2nc(-c3ccccn3)n[nH]2)C1 53526512 VCEMBBDBGUJMOH-GFCCVEGCSA-N 382.449 3.069 30 40 GGEB CC1=NN(Cc2ccccc2)C(=O)[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)C(C#N)C#N 848863 SJSYEZFNLZPPOT-UXHICEINSA-N 387.399 3.376 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2ccc(O)c(Br)c2)c([N+](=O)[O-])c1 5567626 QIHKQBBKBHUQLV-VIZOYTHASA-N 381.142 3.417 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)c2ccccc2Cl)CC1 6662382 QQCBXIFHYNQNFV-UHFFFAOYSA-N 382.807 3.422 30 40 GGEB C=CCNC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1C 7362106 KZTLOCZRFMOEDU-UHFFFAOYSA-N 388.489 3.094 30 40 GGEB COCCN(C(=O)COc1ccc(C#N)cc1)c1ccc(C(F)(F)F)cn1 8707340 JGYJCFDXLMHVDV-UHFFFAOYSA-N 379.338 3.030 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1ccc(C)cc1 8726763 ODEWLNTWTBUUHN-QFIPXVFZSA-N 375.428 3.099 30 40 GGEB Cc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCN(C)C)cc1 19209019 DBAFNMCTUPUJFB-LJQANCHMSA-N 382.435 3.274 30 40 GGEB C#CCNC(=O)c1cc(S(=O)(=O)N(CC=C)c2ccccc2)ccc1Cl 32678790 OCDLEUJMKVDHJC-UHFFFAOYSA-N 388.876 3.084 30 40 GGEB C=CCn1c(-c2ccccc2OC)nnc1S(=O)(=O)Cc1ccc(C)cc1 174641361 YMFLLKKQRDJQSB-UHFFFAOYSA-N 383.473 3.422 30 40 GGEB Cc1cc(C)n(CC(=O)Nc2ccccc2C(=O)c2ccccc2)c(=O)c1C#N 408600088 UFDSPWQYEZKMGQ-UHFFFAOYSA-N 385.423 3.207 30 40 GGEB Cc1cccc(CO[C@H]2CSC3(C2)CN(C(=O)c2cccc(C#N)c2)C3)n1 575403409 KCROIJRXWYXKPT-LJQANCHMSA-N 379.485 3.179 30 40 GGEB C#CCCCC(=O)N1CCC[C@@H](N(C)c2ccnc(-c3ccc(OC)cc3)n2)C1 1615058173 LJOKVNPTYUUFSS-LJQANCHMSA-N 392.503 3.383 30 40 GGEB CN(C)c1ccc(/C=N/c2nc3ccccc3n2CCN2CCOCC2)cc1 2476243 ZVIVHRRUGLUVKU-HAVVHWLPSA-N 377.492 3.185 30 40 GGEB CCOc1cccc2c1OCC(/C(O)=N/S(=O)(=O)Cc1ccc(F)cc1)=C2 48573968 VMVWSVMXPWAUHJ-UHFFFAOYSA-N 391.420 3.487 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)C(=O)N(CCC3=CCCCC3)C2=O)c1C 14230629 AGJHMVTYKQJQCL-UHFFFAOYSA-N 397.475 3.155 30 40 GGEB Cc1ccc(S(=O)(=O)N(C)c2nc3ccccc3nc2SCC#N)cc1 6653483 FKTHONSOAIDQOP-UHFFFAOYSA-N 384.486 3.379 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nnc(N2CCCCC2)n1-c1ccc(C)cc1 7191255 ZHCJWFAGBDQCKH-INIZCTEOSA-N 385.537 3.349 30 40 GGEB C#CCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1 408935082 GLQWNGYFOUARCA-ATVHPVEESA-N 380.787 3.018 30 40 GGEB C=C1[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H]1C(=O)Nc1ccc(N(C)C)cc1 12618350 NKRUYCRTWIOVKU-BGYRXZFFSA-N 378.476 3.198 30 40 GGEB Cc1ccccc1/N=C1\SCCCN1C(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 12869561 HBEUOTJCFSKKHQ-CQMUMHJZSA-N 389.546 3.402 30 40 GGEB N#Cc1cccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)c1 13006496 NTXSUOIJGWXIMU-INIZCTEOSA-N 389.333 3.243 30 40 GGEB COc1ccc(/C=C2\Oc3c(CN(C)C)c(O)cc(C)c3C2=O)c(OC)c1OC 20589770 MVRATUUEXSAMRO-YVLHZVERSA-N 399.443 3.404 30 40 GGEB CC1=C(C(N)=S)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(N1)c1ccccc1C2=O 103120551 CCBDMPHSGFWZSQ-MRXNPFEDSA-N 377.425 3.449 30 40 GGEB CCOc1ccc(Br)cc1[C@@H]1C(C(C)=O)=C(C)Nc2ncnn21 959057 BPEKPOGMMBBACM-OAHLLOKOSA-N 377.242 3.317 30 40 GGEB CCn1c(=O)n(CCC(=O)N(CCC#N)c2ccc(C)cc2)c2ccccc21 58137207 FSDSFOJBYRTJGN-UHFFFAOYSA-N 376.460 3.468 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 2648587 PEJORVSKWLWNFB-HXUWFJFHSA-N 383.521 3.350 30 40 GGEB C=CCn1c(SCC(=O)N(C)Cc2cccc(F)c2)nnc1-c1ccncc1 9217428 ZXGCTTUOVLTBNO-UHFFFAOYSA-N 397.479 3.416 30 40 GGEB C=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccc(OC)cc1 4520182 GNGYLBBPGJIKDO-GOSISDBHSA-N 379.416 3.047 30 40 GGEB C[C@@]1(c2ccc(OC(F)F)cc2)NC(=O)N(/N=C/c2c(F)cccc2F)C1=O 6586693 YVBQIBFREZAFTR-WVZWPQFDSA-N 395.312 3.367 30 40 GGEB Cc1ccc2c3c1/C(=N\NC(N)=S)C(=O)N3C(C)(C)C[C@]2(C)c1ccccc1 18210702 AEDXTADOCCHRIO-PCCDRTMGSA-N 392.528 3.367 30 40 GGEB COc1cc(/C=N/Nc2nc(=O)c(C)n[nH]2)ccc1OCc1ccccc1Cl 8763416 BNARTZZHSXNJET-UFFVCSGVSA-N 399.838 3.160 30 40 GGEB COc1ccc(CN/N=C(\C)c2cc(Br)c(O)cc2O)cc1OC 216057780 BJLDUJKKVHPRPS-KEBDBYFISA-N 395.253 3.391 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCC(C)CC2)cc(N2CCC[C@H](C)C2)n1 260720953 VFUIATQRLWDSMM-INIZCTEOSA-N 388.585 3.422 30 40 GGEB Cc1cc(-n2cc3c(n2)CN(C(=O)c2cc(C#N)ccc2OC(C)C)C3)ccn1 1772572755 CIEHAYBWEMOJMN-UHFFFAOYSA-N 387.443 3.391 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)C[C@H]3CCCCN3C)CCCCC2)cn1 12219574 QAPBDVRMFDBSSM-HXUWFJFHSA-N 396.535 3.085 30 40 GGEB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN1/C=C/C(=O)C(F)(F)F 4119725 SXWJJBPNRBZPQW-WMADIVHISA-N 376.762 3.397 30 40 GGEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 11907175 NCJMZROTOYPMFB-BPNFLLTHSA-N 394.562 3.458 30 40 GGEB COc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 625830 MWBHGKYASIJVAS-MAUKXSAKSA-N 383.400 3.046 30 40 GGEB COC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)N2NN=NC2=N1 1417460 NWOWWIIVKVHFEB-MRXNPFEDSA-N 395.806 3.248 30 40 GGEB COc1cc(OC)c(OC)cc1/C=N\n1c(S)nnc1-c1ccc(C)cc1 4754807 SVPKELHGQCRBBX-JAIQZWGSSA-N 384.461 3.450 30 40 GGEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccco3)c2c1 8023946 CCHASSQTPWBZFL-LJQANCHMSA-N 380.400 3.297 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccccc1C)C(C(=O)OC)=C(C)N2 9569596 NNTXLOPNOGHMEX-OAHLLOKOSA-N 383.473 3.361 30 40 GGEB Cc1nc(N(C)CCCc2n[nH]c(N)c2C#N)c2c3c(sc2n1)CCCC3 15113683 YUPWEMDKMSJLPQ-UHFFFAOYSA-N 381.509 3.125 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccccn1 20227582 HRJHIOKGUGUJCP-HXUWFJFHSA-N 393.487 3.310 30 40 GGEB C[S+](C)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528864 GISJUEDVTKUNEK-LJQANCHMSA-O 386.493 3.246 30 40 GGEB CC(=O)/C(Cl)=N\Nc1c(Br)cc(Br)cc1C(=O)O 100614775 XECJZUHTJBUHSB-OQLLNIDSSA-N 398.438 3.463 30 40 GGEB COc1cccc2[nH]c3c(=O)n(/N=C/C4=CC[C@@H]5C[C@@H]4C5(C)C)c(=O)[nH]c3c12 101127183 NYSNJBQMKSVCSG-IKGIOGBESA-N 378.432 3.006 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(Cl)cc1 102701884 RLYZDDHIFRMZPB-DPEHCCBOSA-N 377.849 3.470 30 40 GGEB N#Cc1nn(-c2ccc(Cl)cc2)nc1N1CCN(Cc2ccccc2)CC1 256046577 GUVBINBTCWJOEG-UHFFFAOYSA-N 378.867 3.115 30 40 GGEB C/N=C1/S/C(=C\c2cc(OC)c(O)c(Cl)c2Br)C(=O)N1C 408856945 LUDWXSMSVLLTSW-LWMKNSOKSA-N 391.674 3.349 30 40 GGEB COc1ccc(C)c2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@@H]4C3)nc12 2086867486 RQXAXIWODKVZKC-IYBDPMFKSA-N 391.500 3.453 30 40 GGEB COc1ccc(CNC(=O)C[C@H]2S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1 105037506 MTHWACRWUOTEAO-GLEDVZQVSA-N 397.500 3.271 30 40 GGEB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(C#N)cc2F)cc1 6650554 JAXNYPYSOLBVGO-UHFFFAOYSA-N 398.390 3.450 30 40 GGEB CCn1nc(C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc2c1=O 3358964 OIBPXCHGMZHWTC-UHFFFAOYSA-N 378.457 3.481 30 40 GGEB C#CCNC(=O)CSc1nc2sc(-c3ccccc3)c(C)c2c(=O)n1CC 12927363 OTQAMPQWACCCRH-UHFFFAOYSA-N 397.525 3.295 30 40 GGEB N#Cc1ccc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 5200182 VHMMMXISFZJQQZ-UHFFFAOYSA-N 389.377 3.305 30 40 GGEB C=CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1nnc(C)s1 16770004 BDQZTARHWDBJBR-VJEQILROSA-N 386.458 3.365 30 40 GGEB CC(C)c1csc([C@H](C#N)C(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)n1 97212770 LIWOQQUIMNMINF-OYNZBZHQSA-N 392.550 3.169 30 40 GGEB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NS(=O)(=O)c2ccccc2)o1 408887136 OERBCIUPGHNKEO-XDHOZWIPSA-N 385.401 3.476 30 40 GGEB Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)cc1C 256048304 SBIJITRGAXTUSI-UHFFFAOYSA-N 376.439 3.222 30 40 GGEB COc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(C#N)c3)n2)cc1 6141673 UWOVKWJZBWHREO-LBPRGKRZSA-N 379.445 3.471 30 40 GGEB COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccccn3)c2c1 7504487 MXARTCFIQAMBMD-HXUWFJFHSA-N 391.427 3.099 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@@H]1c1cccc(OC)c1 103888949 TVWMPRAYAJMOIA-GHNGSUTGSA-N 385.416 3.055 30 40 GGEB C=CCn1cnnc1SCC(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 6589843 BZWSOXILSPRJHS-UHFFFAOYSA-N 399.501 3.022 30 40 GGEB C=CCOc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1OC 8230471 NVXAUKIXBLGYPE-UHFFFAOYSA-N 394.427 3.364 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)c1 8467830 FFETUQHMZYAMJO-HXUWFJFHSA-N 393.487 3.228 30 40 GGEB Cc1ccc2nc(N=C3NCN(Cc4ccccc4Cl)CN3)nc(C)c2c1 19320765 YCEITWLIIKYBMJ-UHFFFAOYSA-N 380.883 3.498 30 40 GGEB COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc([N+](=O)[O-])c1O 409210367 KBDWWBYUPSYKBI-VJEQILROSA-N 379.438 3.398 30 40 GGEB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)cc1 225964884 SORWOIBYBUXSCT-UHFFFAOYSA-N 383.473 3.280 30 40 GGEB Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2N(C)C)c(=O)n(-c2ccccc2)n1C 4046279 JTWDPXGOULTVPL-FYJGNVAPSA-N 379.420 3.209 30 40 GGEB CCCCN1C(=O)c2ccc(C(=O)[C@@H](C#N)c3nc4ccccc4[nH]3)cc2C1=O 2624815 IVMBKHNAYABMDB-MRXNPFEDSA-N 386.411 3.449 30 40 GGEB CCCCOc1ccc(/C=N/c2c(C#N)[nH]c(=O)n(-c3ccccc3)c2=N)cc1 100178831 LLMPDSZHPZBTER-VLDOUKMHSA-N 387.443 3.446 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(Cc3ccco3)[C@H]2c2cccnc2)cc1 102533809 LWOVYPCMYOWSJI-WOOAAIBNSA-N 390.395 3.305 30 40 GGEB N#Cc1cccc(NC(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)c1 54150589 AUSJCZWSXWPNMC-UHFFFAOYSA-N 377.444 3.204 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@H]2c1cccc([N+](=O)[O-])c1 959821 LFVHSVAHOFTLTR-CQSZACIVSA-N 398.444 3.355 30 40 GGEB C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 4182834 LIFMAXSTPAJAMG-LJQANCHMSA-N 385.485 3.081 30 40 GGEB CC(=O)OCC[S+](CCCCCCCCCCC(=O)O)CCOC(C)=O 4744037 FFERTIQEPJNIOA-UHFFFAOYSA-O 391.550 3.326 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc(CC#N)cc1 8125771 MOZQZMYQTBPVRM-UHFFFAOYSA-N 397.500 3.488 30 40 GGEB Cc1cc(F)ccc1S(=O)(=O)ON1C(=O)c2cccc3cccc(c23)C1=O 2685095 VAMYYEHHWYEPEH-UHFFFAOYSA-N 385.372 3.204 30 40 GGEB COc1ccc(Br)cc1CN(C)C(=O)COc1ccc(C#N)cc1 3449382 XCUJBFWRSIAYJM-UHFFFAOYSA-N 389.249 3.367 30 40 GGEB CC(C)N1C(=O)[C@](O)(CC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 4553735 INSZZTVJIIVLKE-GLJAUCNMSA-N 379.412 3.031 30 40 GGEB CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@H]1c1cccc(O)c1 18057326 GWVXQSBCYYKLHY-FQEVSTJZSA-N 376.412 3.401 30 40 GGEB COc1ccc(/C=C2\SC(O)=N\C2=N/c2ccccc2)cc1OCC(N)=O 72401598 QWVZLNPWYHCQKF-YBEGLDIGSA-N 383.429 3.291 30 40 GGEB O=C(O)CCN1C2=C(C(=O)CCC2)C(c2ccccc2O)C2=C1CCCC2=O 409067848 RKMFRUGWSYPVDA-UHFFFAOYSA-N 381.428 3.280 30 40 GGEB CCOc1ccc(N=C[C@@H]2C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408534509 MFYQGBZFTXLIAR-MRXNPFEDSA-N 385.807 3.340 30 40 GGEB CSc1nc(C)c(CCC(=O)O[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)n1 7437101 VAXSNQBOTHFZIU-AWEZNQCLSA-N 398.488 3.190 30 40 GGEB COc1ccccc1OCC#CCNS(=O)(=O)c1ccc2ccccc2c1 90610427 CCCRUXRJIPWKAR-UHFFFAOYSA-N 381.453 3.209 30 40 GGEB CCOC(=O)C1=C(Nc2ccccc2)S[C@]2(CC(C)=C(C)C[S@@]2=O)C1=O 5499646 ONZKHYYDQLOZOL-AFMDSPMNSA-N 391.514 3.374 30 40 GGEB CSc1ccc(/C=C/C(=O)OCc2nc3ccccc3c(=O)n2CC#N)cc1 6362824 KHUXBPQTAVYUQJ-DHZHZOJOSA-N 391.452 3.399 30 40 GGEB CCCCN1C(=O)[C@@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(C)=O)=C1C 12419940 IOVPKFIHBBSUJA-GOSISDBHSA-N 388.430 3.489 30 40 GGEB Cc1ccc(N(CCC#N)C(=O)CSc2nnnn2-c2cccc(C)c2)cc1 2631868 GUDUGXBUILEVLG-UHFFFAOYSA-N 392.488 3.318 30 40 GGEB C=CCOc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCC=C)n3C)cc1 4944638 XJFRPHBZMYNDAE-HNNXBMFYSA-N 383.473 3.097 30 40 GGEB COC(=O)Nc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1 1799249 YBUISGJOALJZPC-UHFFFAOYSA-N 383.241 3.429 30 40 GGEB C=CCOc1ccc(/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1 27021621 NVAPIMGXYHETKQ-XIHFDNFTSA-N 387.464 3.434 30 40 GGEB CC(=O)N1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)SC3)CC1 13118201 KONODRAFXSYGOT-UHFFFAOYSA-N 396.516 3.450 30 40 GGEB CCN(CC)C(=O)c1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c(C#N)c1C 5952361 NYEKCYJXBMZRQG-QWHCGFSZSA-N 389.477 3.016 30 40 GGEB N#Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 89781004 IBACZGHFWMAUKW-UHFFFAOYSA-N 383.473 3.375 30 40 GGEB C=CCNC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(Cl)cc2)cc1 224459864 MKMZHFPIPNHIJC-UHFFFAOYSA-N 392.908 3.467 30 40 GGEB N#Cc1ccc(N2CC[C@@H](C(=O)N3CC[C@@H](Oc4ccccc4)C3)C2)c(F)c1 598398579 KCXALIBSIBSLNW-IEBWSBKVSA-N 379.435 3.204 30 40 GGEB CS(=O)(=O)Oc1ccc2c(c1)O/C(=C\c1cccc(Br)c1)C2=O 5997314 XDRZKNZXLIITOI-NVNXTCNLSA-N 395.230 3.404 30 40 GGEB COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(O)c2CN(C)C)C1=O 20611329 BJMPAFPOMORMFH-OCKHKDLRSA-N 385.416 3.096 30 40 GGEB biogenic Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)[C@@H]2c2ccccc2F)o1 17138335 HIDRFUCJPXJTJT-MRXNPFEDSA-N 379.347 3.300 30 40 GGEB C=CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(OC)cc1 867240 IQEGBADKIWHHBF-UHFFFAOYSA-N 384.461 3.141 30 40 GGEB COC1(NS(=O)(=O)c2ccc(C)cc2)C(C)=C(Cl)C(=O)C(Cl)=C1C 1062686 NIBGDJNSKMHWIX-UHFFFAOYSA-N 390.288 3.224 30 40 GGEB COc1cc(C(=O)OCC(=O)[C@@H](C#N)c2nc(C)cs2)ccc1OC(F)F 6605969 YZQSCVVNYGPVFJ-LLVKDONJSA-N 396.371 3.095 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1/C=C1\NS(=O)(=O)c2ccccc2C1=O 9421789 GLISNVQQEHHPKB-PDGQHHTCSA-N 379.441 3.005 30 40 GGEB C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1ccccc1Cl 12894994 XMCOLAOEIFXOTM-OAHLLOKOSA-N 390.915 3.284 30 40 GGEB COc1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N/N=C(\C)c3ccccc3)S2)cc1 13424201 KODOFRRINHZWSV-WQGFDPGOSA-N 396.472 3.036 30 40 GGEB COc1ccc(CCCN(C)C(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1OC 14020590 HMAADGSTGGSUHQ-MRXNPFEDSA-N 382.460 3.434 30 40 GGEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@@H](c3cccc(Cl)c3Cl)[C@@]12C#N 19857698 JVADAEPYKLFVFA-FVQBIDKESA-N 379.247 3.208 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccccc1F 20502280 RYRNGADAHPIEFS-LJQANCHMSA-N 397.450 3.141 30 40 GGEB COC[C@]1(C#N)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(OC)cc1 218117667 NJQGPLXKYRZMEI-FHWLQOOXSA-N 391.876 3.445 30 40 GGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c1 223749887 QWCJJEALJXGGAV-UHFFFAOYSA-N 377.462 3.089 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCCC2)cc(N2CCc3ccccc3C2)n1 225923981 RXDVPDJYXFSJQI-UHFFFAOYSA-N 394.548 3.112 30 40 GGEB CCOC(=O)c1sc(NC(=O)CN2CCc3ccccc3C2)c(C#N)c1C 408554783 FLJQXLZBICACCP-UHFFFAOYSA-N 383.473 3.102 30 40 GGEB COCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(OC)c2)C2=C1CCCC2=O 408896110 JOTAYBHZRDEHJP-UHFFFAOYSA-N 397.471 3.461 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(C)c1C 14183579 SASYIGJLBUWGBZ-QHCPKHFHSA-N 389.455 3.407 30 40 GGEB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc(C#N)cc3)cc2)C1 14469383 VCMJCFBROBLSSS-HNNXBMFYSA-N 384.457 3.198 30 40 GGEB CN(/N=C/c1cccc(O)c1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 6625584 ZFBPKHMHVUXULD-CJLVFECKSA-N 395.511 3.028 30 40 GGEB C=CCn1c(SCC(=O)Nc2nnc(C3CC3)s2)nnc1-c1ccco1 4814733 NZSRZUZJJVALIU-UHFFFAOYSA-N 388.478 3.184 30 40 GGEB C[C@@H]1CN(S(=O)(=O)c2ccc(/C=C/C(=O)c3ccccc3)s2)C[C@@H](C)O1 68677160 AFRGOOVDPLUBJM-QSTFCLMHSA-N 391.514 3.442 30 40 GGEB Cn1c(=O)n(C)c2cc(/N=C/c3cccc(I)c3)ccc21 1505840559 UGSDOQRTIRCACW-VCHYOVAHSA-N 391.212 3.232 30 40 GGEB Cc1ccc(NC(=O)N2CCN(c3cnccc3C#N)CC2)cc1OC(C)C 562881314 GSDMTGKXCITQPF-UHFFFAOYSA-N 379.464 3.403 30 40 GGEB Cc1ccc(/N=C2\S/C(=C/c3ccc(OCC(N)=O)cc3)C(=O)N2C)cc1 213168171 ZMJMBYDIXCJTQS-SLHJDRLVSA-N 381.457 3.093 30 40 GGEB O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCOCC1 2707807 VPBAYMFXFHGSIY-PXLXIMEGSA-N 396.468 3.317 30 40 GGEB CS(=O)(=O)c1cccc(C(=O)Nc2cccc(C#Cc3ccccn3)c2)c1 23881614 DZSONHIGHKUOKH-UHFFFAOYSA-N 376.437 3.137 30 40 GGEB CCCN(CCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)O[C@H](C)COC 2326498 GFNAPRNKVNGSSL-HZPDHXFCSA-N 384.480 3.441 30 40 GGEB CSc1nnc(C(C)(C)C)c(=O)n1/N=C/c1cc(Br)ccc1O 28114241 MBVIMBIUMASLQV-CAOOACKPSA-N 397.298 3.008 30 40 GGEB Cc1nn(-c2ccccc2)c(CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1C#N 12914697 FIFXWCLVVCNAST-LHSJRXKWSA-N 377.448 3.053 30 40 GGEB Cc1ccc(-c2nc(SCC(=O)Nc3nc(C)cs3)[nH]c(=O)c2C#N)cc1 5238309 BXDWXWCJYXFITR-UHFFFAOYSA-N 397.485 3.113 30 40 GGEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)c(OC)c1)C1=C(CCCC1=O)N2 4436208 GHZZCTUFFVDGLD-KRWDZBQOSA-N 386.477 3.429 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1/C=N/[C@@H]1C[C@H]2CC[C@H]1C2 408536556 SALCYSNNIBMGAP-MSGLBLQTSA-N 393.365 3.164 30 40 GGEB C=CCN(c1cccc(C(=O)OCC)c1)S(=O)(=O)c1ccc(OC)cc1 224869442 QPVJMJJXMGYGSM-UHFFFAOYSA-N 375.446 3.253 30 40 GGEB CC1(C)CC(=O)C2=C(C1)OC(=O)[C@]2(NC(=O)c1ccc(F)cc1)C(F)(F)F 4615321 OUZBNDNWUZQZKG-KRWDZBQOSA-N 385.313 3.057 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1 4717931 ZRPHZYINOYRYBN-MDOVXXIYSA-N 379.412 3.073 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccc(O)c(O)c1 57478225 BKJWGOAYOKERMR-GOSISDBHSA-N 377.396 3.229 30 40 GGEB C=CCOc1ccccc1/C=c1\sc2nc(/C=C/c3cccs3)nn2c1=O 27022091 ZDVWZMBQSXOSJW-GIYAWHNBSA-N 393.493 3.495 30 40 GGEB N#Cc1cccc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)c1 11373195 WZWPUEUHHWMFQK-UHFFFAOYSA-N 378.457 3.237 30 40 GGEB C=CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccccc1OC 2638812 FIPXCHKSYBCHAS-UHFFFAOYSA-N 385.449 3.167 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C 2625326 DFCBXGQKJYJDII-QGZVFWFLSA-N 377.901 3.282 30 40 GGEB O=S(=O)(/N=C(\O)c1cc(Cl)c2c(c1)OCCO2)c1ccccc1Cl 84507264 ZORSYNOKMGUCSS-UHFFFAOYSA-N 388.228 3.458 30 40 GGEB O=C1c2ccccc2C(=O)N1CCC(=O)N1CCCS/C1=N\c1ccccc1 3483596 GGSGGUODILUGSN-DQRAZIAOSA-N 393.468 3.326 30 40 GGEB Cn1c(SCC(=O)N(CCC#N)c2ccc(F)cc2)nnc1-c1ccco1 3565105 QQBJQCNHSQTLKC-UHFFFAOYSA-N 385.424 3.253 30 40 GGEB CCc1ccccc1NC(=O)CN(C)CC(=O)Nc1sc2c(c1C#N)CCC2 8171259 WSAVRKFAZWITRH-UHFFFAOYSA-N 396.516 3.180 30 40 GGEB CN(C(=O)CN1c2cccc3cccc(c23)S1(=O)=O)C1(C#N)CCCCC1 8778237 WOFQSFCIRUZGDJ-UHFFFAOYSA-N 383.473 3.033 30 40 GGEB Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc4nc(C)ccc4c3O2)cc1 71256092 MYHBOPKOGIKIFF-OAHLLOKOSA-N 385.441 3.397 30 40 GGEB CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc(C#N)c2)cc1 222845350 CZPBUMFQFUNXOB-UHFFFAOYSA-N 385.489 3.064 30 40 GGEB N#Cc1cccc(C(=O)N2CCC(Oc3ncccc3Br)CC2)c1 96096984 DXVNSOHGCURAFS-UHFFFAOYSA-N 386.249 3.399 30 40 GGEB CN(/N=C/c1ccc(O)cc1)c1nc(N2CCCCC2)nc(N2CCCCC2)n1 15012165 MIVCXBHWTXIXSI-CJLVFECKSA-N 395.511 3.028 30 40 GGEB N#Cc1ccc(COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 5207171 FNEZGANMIYPTAO-UHFFFAOYSA-N 398.484 3.019 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@H](c2ccc(F)cc2)/C1=C(\O)c1ccc(F)cc1 104173559 HLJQILHDISLOCJ-DPEHCCBOSA-N 399.378 3.443 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1378539 RLBUWFMOKZIEEB-OAHLLOKOSA-N 376.507 3.028 30 40 GGEB C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCCC#N)c1)c1cccc(Cl)c1 12793319 CRRLYCULNVHZOP-CYBMUJFWSA-N 391.880 3.023 30 40 GGEB CCOC(=O)/C(C)=N/Nc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 4813720 BBFZZTZVXHWIIE-WSDLNYQXSA-N 396.472 3.287 30 40 GGEB CCCCCCCCCCCCn1c(N(C)C)nc2c1c(=O)[nH]c(=O)n2C 8396594 RWKMKSRSQLMKBR-UHFFFAOYSA-N 377.533 3.410 30 40 GGEB C[C@@H]1CC(=O)C2=C(C1)Nc1nc(C(F)(F)F)nn1[C@H]2c1ccc([N+](=O)[O-])cc1 22608178 LHBFTEYBAPOMMO-RTHLEPHNSA-N 393.325 3.473 30 40 GGEB N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)Nc1ccc2c(c1)OCCNC2 528717009 XMEBSLCOTUMCSO-WOJBJXKFSA-N 376.460 3.472 30 40 GGEB CC(=O)OCC(=O)[C@]12O[C@H]1C[C@@H]1[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 254578352 ZGLUWNAFPZDBGF-HMHHHFJXSA-N 388.504 3.190 30 40 GGEB CCNC(=O)c1ccc(/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)cc1 16681737 JHSCEAOGIGGCLV-DAFNUICNSA-N 390.487 3.347 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3-c2ccc(F)cc2)c2ccccc21 20744549 CFUJWTLOTGKZTN-JOCHJYFZSA-N 386.386 3.269 30 40 GGEB COc1cccc([C@@H]2[C@@H](Oc3cccc(C#N)c3)C(=O)N2C[C@H]2CCCO2)c1 106129160 FLIKPLKQWZUDRQ-NJDAHSKKSA-N 378.428 3.077 30 40 GGEB Cc1cc(C)cc(N(CCC#N)C(=O)CSc2nnc3nc(C)cc(C)n23)c1 2630592 MLUOAJAHFXRJAW-UHFFFAOYSA-N 394.504 3.397 30 40 GGEB C=CCn1c(SCC(=O)NC2(C#N)CCCCC2)nc2ccccc2c1=O 6905032 FGDXRQHSIURTQP-UHFFFAOYSA-N 382.489 3.017 30 40 GGEB N#Cc1ccccc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7683579 WEOMRASEVRIBHO-QGZVFWFLSA-N 389.864 3.003 30 40 GGEB COc1cccc(/N=C2\S[C@@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2C)c1 18107180 LUKHVYWOHOTHHJ-BWORXHKJSA-N 387.436 3.424 30 40 GGEB Cc1nc[nH]c1CN1CC(F)(F)C[C@]2(CCCN(c3cccc(C#N)c3)C2=O)C1 306128895 HNUVRURVNUENPI-HXUWFJFHSA-N 399.445 3.244 30 40 GGEB CCOc1ccc(C(=O)NCC#CCN2CCc3ccccc3C2)cc1OCC 77100535 QUAVWKOZGIDPNI-UHFFFAOYSA-N 392.499 3.276 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccc(F)cc1 5799849 ANFMLFUCDSSCJU-WOOAAIBNSA-N 382.435 3.199 30 40 GGEB CC(C)Oc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccco2)cc1 102856987 YWAQCHLBXSDNLH-WOOAAIBNSA-N 398.459 3.050 30 40 GGEB CCCCN1C(=O)[C@](NC(=O)C2CCCCC2)(C(F)(F)F)C(C(C)=O)=C1C 12419943 IOVPKFIHBBSUJA-SFHVURJKSA-N 388.430 3.489 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1ccc(Cl)cc1Cl 4915758 AQLYYMLYSRJENN-BGFNQPPGSA-N 382.243 3.249 30 40 GGEB CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)c2ccccc2)nc1C 7149930 LMXFSDWVXWHNGD-CYBMUJFWSA-N 383.473 3.408 30 40 GGEB Cc1ccc([C@H]2C(c3ccc(Cl)cc3)=C(O)C(=O)C(=O)N2CC(=O)O)cc1 20528656 VSCDXUWWODCSCM-KRWDZBQOSA-N 385.803 3.155 30 40 GGEB COc1ccccc1-c1n[nH]c(/N=C(\O)Cc2cc3ccccc3[nH]c2=O)n1 47107793 SABNLZXOPDWPMJ-UHFFFAOYSA-N 375.388 3.153 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cncc(Br)c1 3232855 YMMYCLYOSLUSIW-UHFFFAOYSA-N 394.612 3.165 30 40 GGEB COc1cc(/C=C2\Oc3cc(OC(=O)N(C)C)ccc3C2=O)cc(OC)c1OC 12636986 NCLCARHFJCEOBR-PXNMLYILSA-N 399.399 3.389 30 40 GGEB biogenic CN(C)S(=O)(=O)c1cccc(-c2csc(N/N=C/c3ccco3)n2)c1 5255262 IIAKLICZCHBREK-LICLKQGHSA-N 376.463 3.099 30 40 GGEB CC(=O)Nc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCCCO4)cc1 5451339 UIWOIOLVQQBCNS-UYRXBGFRSA-N 378.428 3.176 30 40 GGEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9532810 IMBNODXFFYNNFQ-DNVCBOLYSA-N 377.444 3.494 30 40 GGEB N#Cc1cccnc1N1CCC([C@@H]2CCCCCN2C(=O)C2CCOCC2)CC1 71890489 GKAHXQDFVLCCTA-NRFANRHFSA-N 396.535 3.367 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 409138405 BHBJSDBZJXFUEM-GZTJUZNOSA-N 382.391 3.492 30 40 GGEB CC(=O)[C@@]12N=C(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@@]12C 77286366 JXURBWVPEBHVSO-LFXAUQRBSA-N 381.472 3.228 30 40 GGEB in-vitro N#Cc1ccc(N2CCC(C(=O)N[C@H](C3CCC3)[C@@H]3CCCO3)CC2)c(F)c1 601878343 XDIBUBNABSTCNG-LEWJYISDSA-N 385.483 3.378 30 40 GGEB C=CCc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc(OC)c1OC 29770832 JRMFBKQTBCBQPW-GFCCVEGCSA-N 382.416 3.404 30 40 GGEB COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@@H](C)C1 13597673 WYEZDKBTZQMRAG-YVSFHVDLSA-N 396.491 3.297 30 40 GGEB Cc1c(C#N)c(NC(=O)CN2CCn3cccc3[C@H]2C)n(Cc2ccco2)c1C 14185781 ZSTOUPRJUDSFAL-QGZVFWFLSA-N 391.475 3.435 30 40 GGEB COc1ccc(OC)c(NC(=O)C[n+]2cc(-c3ccc(F)cc3)n3c2CCC3)c1 17209024 XLYUYBSYKQBXFT-UHFFFAOYSA-O 396.442 3.184 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccccn1)n1nc(SCc3ccccn3)nc1N2 18198875 YVIVZUVCDVLHHF-SFHVURJKSA-N 390.472 3.382 30 40 GGEB CC(=O)C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C1SC(C(=O)O)S1 62716055 WDVJGAGNINQZGQ-UHFFFAOYSA-N 377.365 3.335 30 40 GGEB N#CC1(c2ccc(NC(=O)c3cnc4sc5c(n4c3=O)CCCC5)cc2)CC1 223042056 DQBNSMTWAVVKLA-UHFFFAOYSA-N 390.468 3.442 30 40 GGEB O=c1c(S(=O)(=O)/N=C(\O)Nc2ccc(Cl)cc2)coc2cc(F)ccc12 1643611 FITFMRVFIOBJNY-UHFFFAOYSA-N 396.783 3.300 30 40 GGEB CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 795044 QPCLOHNBOQLQPF-APWZRJJASA-N 397.427 3.436 30 40 GGEB COC(=O)c1sc(NC(=S)NC(=O)c2ccc(C)cc2C)c(C#N)c1C 2592803 BDMQJGZRTJHLMQ-UHFFFAOYSA-N 387.486 3.458 30 40 GGEB COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1C[C@@H](C)C[C@H](C)C1 102698646 WYEZDKBTZQMRAG-NXOAAHMSSA-N 396.491 3.297 30 40 GGEB COc1ccc(N2CSc3nc(-c4ccccc4)c(C#N)c(=O)n3C2)cc1 13734564 WPKUFLPHYWPCNB-UHFFFAOYSA-N 376.441 3.318 30 40 GGEB CCOC(=O)COc1ccccc1/C=N/n1c(S)nnc1-c1ccccc1 5325607 QGUSDNLYZPYSBA-UDWIEESQSA-N 382.445 3.058 30 40 GGEB CCOC(=O)c1c(C)oc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1C#N 5938209 COCVQEWEPKOPOK-UHFFFAOYSA-N 377.740 3.450 30 40 GGEB COc1cc(C#N)ccc1OC(=O)COc1ccc(F)cc1Br 22368748 MCKVVYBMWXVHMK-UHFFFAOYSA-N 380.169 3.453 30 40 GGEB COCc1cc(C)nc(SCC[N+](C)(C)CC(=O)c2ccccc2)c1C#N 38148205 JGLMJAXOLHVGCA-UHFFFAOYSA-N 384.525 3.460 30 40 GGEB C=CCN(c1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1)S(C)(=O)=O 30873114 QMDIPBLJRFKPJU-CQSZACIVSA-N 376.453 3.269 30 40 GGEB O=S(=O)(/N=C(\O)c1ccc(Cn2cccn2)cc1)c1ccc(Cl)cc1 42233655 FWYZBPMRVCWBLO-UHFFFAOYSA-N 375.837 3.278 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](c2ccc(CC)cc2)[C@H]1S(=O)(=O)c1ccccc1 242701692 WKLDVYBFXBQCAH-QKNQBKEWSA-N 383.469 3.262 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@H](C)C2)n1 260710341 GUMGUZPMZMXJFS-HOTGVXAUSA-N 388.585 3.422 30 40 GGEB C/C(=N\[C@@H]1C(=O)N(c2ccccc2)N(C)[C@@H]1C)c1cc2ccccc2oc1=O 4262739 DVJAATZFODMYRL-MELARPHDSA-N 375.428 3.253 30 40 GGEB N#Cc1ccccc1NC(=O)C(=O)NCc1ccc(C(=O)c2ccsc2)s1 206681082 VOZVYXZLDYTXQU-UHFFFAOYSA-N 395.465 3.167 30 40 GGEB COc1cccc(OC)c1C(=O)NC(=S)Nc1sc(C)c(C)c1C#N 8332697 MUVQESLMTHVQMZ-UHFFFAOYSA-N 375.475 3.381 30 40 GGEB N#Cc1nc(-c2cccnc2)oc1NC[C@H](c1ccccc1)N1CCOCC1 35672503 INBVYRFLETYEHW-LJQANCHMSA-N 375.432 3.094 30 40 GGEB O=C(O)c1ccccc1/C=N/c1ccc(S(=O)(=O)Nc2cccnc2)cc1 100441142 DJNCQUBYRICWSS-CIAFOILYSA-N 381.413 3.331 30 40 GGEB Cc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)c(C)c1 48374409 KFUBRAROPFDRGZ-UHFFFAOYSA-N 382.485 3.459 30 40 GGEB N#CCOC(=O)c1ccc(CNS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 7782664 CSFADEZBUACYOJ-UHFFFAOYSA-N 399.255 3.152 30 40 GGEB N#Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 7989243 KQVDEXFSRBMXMG-GOSISDBHSA-N 384.457 3.245 30 40 GGEB C=CCn1c(SCC(=O)OC(C)C)nnc1[C@@H]1COc2ccccc2O1 8754045 OVGSNHIPJYUEDM-HNNXBMFYSA-N 375.450 3.020 30 40 GGEB C=CCc1cc(/C=N\c2ccc(O)c(C(=O)O)c2)cc(OC)c1OCC(=O)O 408848186 QFVSGRRAVXRPKP-FBHDLOMBSA-N 385.372 3.042 30 40 GGEB O=S(=O)(NCC#CCOc1cccc(C(F)(F)F)c1)c1cccs1 90610482 DLINBWQVCYZFGR-UHFFFAOYSA-N 375.393 3.128 30 40 GGEB CCC(=O)C1=C(c2ccc(OC(F)F)cc2)N(C(=O)CC)n2cnnc2S1 5223763 MNFLSRAQLVJYCL-UHFFFAOYSA-N 394.403 3.208 30 40 GGEB C=C(C)Cn1nc(C)c(CN2CCc3nc(-c4ccccn4)nc(O)c3C2)c1C 12122809 OSIHEWKLZUSAJQ-UHFFFAOYSA-N 390.491 3.192 30 40 GGEB Cc1cc(C(=O)C[C@@H]2S/C(=N\N=C\c3ccco3)NC2=O)ccc1Cl 16754613 LENJJUHTEOIFTG-OMPOGXFXSA-N 375.837 3.436 30 40 GGEB N#Cc1cccc(C(=O)N2CC[C@H](c3ccccc3Cl)S(=O)(=O)CC2)c1 575414903 POSQXLBKAOLPPY-GOSISDBHSA-N 388.876 3.214 30 40 GGEB COc1ccccc1CCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 4046226 LKIBGRZTZMJKEF-VJQMSDJISA-N 399.531 3.354 30 40 GGEB biogenic COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cccc(OC)c1 5014459 IXPWUWLWQNSJHZ-IBGZPJMESA-N 381.428 3.310 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2ccc(I)cc2)cc1 5108854 DTLAIUPGGRNQBA-UHFFFAOYSA-N 378.169 3.180 30 40 GGEB COc1ccc2sc(N(CCN(C)C)C(=O)c3ccc(C#N)cc3)nc2c1 5121507 ROFRGOBDEBKREE-UHFFFAOYSA-N 380.473 3.385 30 40 GGEB C=CCOc1ccc(/C=c2/sc3nc(-c4ccc(F)cc4)nn3c2=O)cc1 6303822 KGWYQCALRXEALD-SFQUDFHCSA-N 379.416 3.070 30 40 GGEB Cc1nn(-c2ccccc2)c(C)c1CN(C)S(=O)(=O)c1ccc(C#N)cc1 8519652 VBCKRQXSYCHCEJ-UHFFFAOYSA-N 380.473 3.182 30 40 GGEB C=CCOc1ccc(CN(C)C(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 9721581 VONSAVSCTFEKDA-UHFFFAOYSA-N 391.471 3.469 30 40 GGEB CCCc1cc(=O)[nH]c(N/N=C\c2cc(Br)c(O)c(OCC)c2)n1 31783812 ISORFDLSXLLSIG-NVMNQCDNSA-N 395.257 3.035 30 40 GGEB C#CCN(CC(=O)Nc1ccc(OC)cc1[N+](=O)[O-])[C@@H]1CCc2ccccc21 47406028 VUVGCHLTCXMLDM-LJQANCHMSA-N 379.416 3.165 30 40 GGEB N#Cc1cccc(Cn2c(=O)n(-c3ccccc3F)c(=O)c3sccc32)c1 67258217 OQUBXWNWGUVSDR-UHFFFAOYSA-N 377.400 3.273 30 40 GGEB C=C(Br)CNC(=O)N1CCC(C(=O)c2ccc(OC)cc2)CC1 69118659 VCDHVCDHXPZFNS-UHFFFAOYSA-N 381.270 3.208 30 40 GGEB CCCCc1nc(N2CCN(C(=O)C(C)C)CC2)c(C#N)c2c1COC(C)(C)C2 95478021 KWDVHQRFXQVJQX-UHFFFAOYSA-N 398.551 3.452 30 40 GGEB COc1ccc([C@@H]2O[C@]34CCCC[C@@H]3C(C#N)(C#N)[C@@]2(C#N)C(=N)O4)c(OC)c1 4855687 FMBYCPFMBKMTOE-OVQGTLEDSA-N 392.415 3.213 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(CC)cc2)C1 8085775 KJPHKBAZIZGPKQ-QGZVFWFLSA-N 391.471 3.156 30 40 GGEB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](/C(O)=N/c2nc(C(F)(F)F)n[nH]2)C1 48234419 ZPRFGISJWVEVRL-LLVKDONJSA-N 399.348 3.032 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)CCc2ccccc2)CC1 48300506 KRWNUCVVPYOZDU-UHFFFAOYSA-N 378.432 3.184 30 40 GGEB C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(F)cc1 3454975 NOHSHHGPTIQHCU-UHFFFAOYSA-N 394.435 3.125 30 40 GGEB NC(=S)N/N=C/c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408764492 IYPFTGANMGDTJL-DNTJNYDQSA-N 397.287 3.178 30 40 GGEB C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 5274795 SLQYJIHUTAGQFZ-GOSISDBHSA-N 381.407 3.486 30 40 GGEB CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cc(C)cc1C 5370144 OQHFUICNNOATNX-VVWDJWGFSA-N 380.535 3.013 30 40 GGEB CCOc1ccc(NC(=O)[C@H]2CC(=O)N/C(=N/N=C/c3ccccc3)S2)cc1 9088321 FODQQLQNIDUHKA-VYVDHXHBSA-N 396.472 3.036 30 40 GGEB CC(=O)OCC(=O)C1=CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C 77300863 OZYMSQQCILMWFF-YTQSOXLISA-N 382.456 3.142 30 40 GGEB in-vitro COc1cc2c(cc1OC)N(C1CSC1)C(=O)/C2=N\Nc1ccc(C)cc1 223734122 NSAKWURGYIFVQG-QOCHGBHMSA-N 383.473 3.290 30 40 GGEB N#Cc1cccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)c1 97994252 PFFGMGHSAZHPNU-CPNJWEJPSA-N 382.383 3.442 30 40 GGEB CCOC[C@]1(C#N)[C@H](c2ccc3c(c2)OCO3)[C@H]1S(=O)(=O)c1ccc(C)cc1 252514097 BELIIZMYMRWROS-NJDAHSKKSA-N 399.468 3.210 30 40 GGEB N#C[C@]1(CO)[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 252513937 AYESGKZOPWKLQS-BBWFWOEESA-N 382.268 3.435 30 40 GGEB COP(=O)(OC)/C(=N/NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 1757916 AERFIKUZZQYUPT-WUKNDPDISA-N 382.378 3.121 30 40 GGEB Cc1sc2nc(CSCC(=O)NC3(C#N)CCCCC3)[nH]c(=O)c2c1C 4485473 WQOXVESGTVFWSQ-UHFFFAOYSA-N 390.534 3.177 30 40 GGEB C/C(=N\NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccc2ccccc2c1O 101160186 JURHXIJPZXEWDG-DEDYPNTBSA-N 399.428 3.465 30 40 GGEB C[C@@H](NC(=O)[C@@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1)c1ccccc1 32888374 IMKCPVOSCADLFP-WOJBJXKFSA-N 390.531 3.332 30 40 GGEB COCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Oc3ccccc3)cc2)S1 7882745 ORYPEKPYNWHVMG-QGZVFWFLSA-N 399.472 3.042 30 40 GGEB Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1C#N 57293422 UVBVMFRVYJJYME-UHFFFAOYSA-N 384.867 3.338 30 40 GGEB CN(CC(=O)Nc1ccc(CC#N)cc1)S(=O)(=O)c1ccc2ccccc2c1 8126925 AGSJFTKMNZTOMF-UHFFFAOYSA-N 393.468 3.165 30 40 GGEB CN(CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2)c1ccc(C#N)cn1 58426803 ZXNXHPAGPOCGKT-UHFFFAOYSA-N 378.432 3.460 30 40 GGEB COc1ccc(/N=C/c2cc(Br)c(OCC(N)=O)c(OC)c2)cc1 100384102 LTCHEJQNJANFEV-AWQFTUOYSA-N 393.237 3.081 30 40 GGEB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C#N)c2)ccc1Cl 2621449 UIXQAHJJEDITLJ-UHFFFAOYSA-N 391.880 3.494 30 40 GGEB CC(C)OC(=O)COc1ccc2c(c1)O/C(=C\c1ccc3c(c1)OCO3)C2=O 5825584 XWUAESCPVDQRRG-UWVJOHFNSA-N 382.368 3.362 30 40 GGEB biogenic C=CCn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccncc1 6905105 IAYZNLCCGXIJQC-UHFFFAOYSA-N 380.429 3.230 30 40 GGEB Cc1cccc(-n2c(SCC(=O)NCCC#N)nc3ccccc3c2=O)c1C 4929567 OAXBMJHHJNOEBQ-UHFFFAOYSA-N 392.484 3.125 30 40 GGEB C=CCN(C(=O)Cn1cnc2c(C)cccc2c1=O)c1nc2c(s1)CCCC2 8941850 WQNVVBKRHNENJY-UHFFFAOYSA-N 394.500 3.259 30 40 GGEB O=C1CCCC2=C1[C@H](c1cccc(O)c1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673940 PSVNUEPYBQJZHH-KRWDZBQOSA-N 392.459 3.030 30 40 GGEB COc1ccc(-c2noc([C@@H]3C[C@H](NCc4cccc(C#N)c4)CN3C)n2)cc1 35424508 HRUZTNLBIVYXRG-ICSRJNTNSA-N 389.459 3.152 30 40 GGEB biogenic,in-vitro C=CCn1cc2c3c(cccc31)[C@H](CC(C)C)N[C@H](C(=O)N1CCN(C)CC1)C2 49171866 ANMMIERXEPKFIR-SFTDATJTSA-N 394.563 3.203 30 40 GGEB biogenic,in-vitro COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)cc1 4473131 PQNQEUSJHZHSAV-XOMICKMZSA-N 387.436 3.424 30 40 GGEB C=CCN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccccc3)cc21 9171144 UTOICPVUWNMGMW-UHFFFAOYSA-N 386.473 3.425 30 40 GGEB CCCCc1ccc(N2/C(=N/C(=O)C(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 5246398 AEAODYJICOXTLQ-GPASRXLFSA-N 394.562 3.287 30 40 GGEB N#Cc1cccnc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23804960 BJJPTDNLVHTCNC-UHFFFAOYSA-N 377.326 3.207 30 40 GGEB C[C@]12CCC[C@@]3(CO3)[C@@H]1C[C@@H]1[C@@H](CN(CCO)Cc3ccccc3)C(=O)O[C@@H]1C2 4028007 VTCCECULTVEOLP-JGELFBEGSA-N 399.531 3.008 30 40 GGEB CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2O)sc2c1CCN(C)C2 2314476 YTMDEIBVXUMKNK-DJKKODMXSA-N 389.433 3.277 30 40 GGEB C=CCn1nnnc1SCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 11689878 HEDCDRSZWANNAE-UHFFFAOYSA-N 377.779 3.262 30 40 GGEB COc1cccc(N2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccc(OC)c(OC)c2)c1 18258199 WAGVEUNGBJXODD-IBGZPJMESA-N 383.400 3.201 30 40 GGEB COc1ccc(C#N)c(NS(=O)(=O)c2cc(Br)ccc2OC)c1 83927852 OCTDAZIUHXZKRT-UHFFFAOYSA-N 397.250 3.139 30 40 GGEB Cc1c(C#N)c(N)nc2c3c(sc12)NC(=O)C[C@@H]3c1ccc([N+](=O)[O-])cc1 20170611 CYSBGFCMIBSCFM-LLVKDONJSA-N 379.401 3.441 30 40 GGEB COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])cc1I 409086182 GGEIJULXQZDXMK-LZYBPNLTSA-N 398.160 3.049 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 408802023 YACNXMDNCPBPBJ-LFIBNONCSA-N 394.814 3.327 30 40 GGEB N#Cc1c(N2CC[C@](CO)(Cc3ccc(F)cc3)C2)nc2cc(Cl)ccn12 579279956 DCGJFOLQVIUIQB-FQEVSTJZSA-N 384.842 3.430 30 40 GGEB CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C=O)[C@H]3CC[C@]12C 5161237 QFLMESOQPFFEMD-ZNHHMURHSA-N 386.488 3.446 30 40 GGEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)c(OC)c1 5372902 LTVNZEDOMJVZLF-SXGWCWSVSA-N 384.413 3.294 30 40 GGEB Cc1c(/N=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 4004562 MZZNBUZOLRHTGQ-FYJGNVAPSA-N 379.420 3.209 30 40 GGEB Cc1ccc(CN(C(=O)CCc2c(C)nc3c(C#N)cnn3c2C)C(C)C)o1 54211761 JRPOBQSOGCJXAC-UHFFFAOYSA-N 379.464 3.489 30 40 GGEB COc1ccc(/C=N\N=C2\NC(=O)[C@@H](Cc3ccccc3C)S2)cc1OC 4866432 OPZHCNAKVSCTTH-UZQMFHLOSA-N 383.473 3.176 30 40 GGEB COC(=O)c1ccc(OCc2c(C#N)c(C)nn2-c2ccccc2)c(OC)c1 27311173 RGMYCVPPGJULII-UHFFFAOYSA-N 377.400 3.427 30 40 GGEB CCCn1c(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)n[nH]c1=O 11388165 CFFSYUQRXICWAP-VLURKWGBSA-N 386.521 3.343 30 40 GGEB CCCCC12CN3CCN(CC(C3)/C1=N/NC(=S)Nc1cccc(C)c1)C2 103548838 BUGNNYISYPCJEN-NMWGTECJSA-N 385.581 3.075 30 40 GGEB C=CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)o2)c2cc(Br)ccc21 4545111 LACCAEXCQDJNAK-SFHVURJKSA-N 390.233 3.344 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@H](C)C(=O)OC)C1=O 409103582 DKTLGFPNSVZHQK-RNEAKCBISA-N 395.436 3.450 30 40 GGEB C=CCN1C(=O)N(c2cccc(C)c2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1 4738786 REXJKISOGSBJIV-GOSISDBHSA-N 381.407 3.486 30 40 GGEB NC1=NN(c2ccccc2)C(=O)/C1=N\Nc1cc(C(F)(F)F)ccc1Cl 17862314 YTETUIMRRFCEBB-QRVIBDJDSA-N 381.745 3.446 30 40 GGEB CCN(CC)c1ccc(/C=C2\SC(N3CCN(CCC#N)CC3)=NC2=O)cc1 13425235 BHHGXLAOXYSAMM-MNDPQUGUSA-N 397.548 3.034 30 40 GGEB CC(C)(C)c1cn2nc(OC[C@H]3CCN(c4ccc(C#N)cn4)C3)ccc2n1 2087043802 DSBWZWCRGCQOJT-INIZCTEOSA-N 376.464 3.199 30 40 GGEB N#Cc1cc([N+](=O)[O-])cnc1NCCNc1ncc(C(F)(F)F)cc1Cl 32806353 MZKLQAHEKOXFIK-UHFFFAOYSA-N 386.721 3.453 30 40 GGEB C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12 3293983 MRTANKWIBKRNIG-UHFFFAOYSA-N 376.441 3.205 30 40 GGEB Cc1sc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)c(C#N)c1C 4883034 SMDJTQZSBNIXCK-UHFFFAOYSA-N 388.453 3.082 30 40 GGEB C=CCOc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1 8554728 KQLNYCLLHCLCFH-SFHVURJKSA-N 380.444 3.413 30 40 GGEB Cc1ccc(NC(=O)C/C(N)=N/OC(=O)c2ccc(C(F)(F)F)cc2)cc1 14075001 ZBPZGKCVYKJARU-UHFFFAOYSA-N 379.338 3.472 30 40 GGEB COc1ccccc1N(CCC#N)C(=O)CSc1nncn1-c1ccccc1 4835180 ZWCRWGFDHIKUPH-UHFFFAOYSA-N 393.472 3.315 30 40 GGEB N#Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 32997942 PMLOYXKZEXIGBN-UHFFFAOYSA-N 383.473 3.375 30 40 GGEB O=C1/C(=N\Nc2cccnc2)c2cc(Br)ccc2N1C1CSC1 223762716 GYFFQORDDQRPIG-HKWRFOASSA-N 389.278 3.122 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 224893227 HUHGEZZNGAGBCM-UHFFFAOYSA-N 390.461 3.044 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccco2)S/C1=N/S(=O)(=O)c1cccs1 12438255 RGELXDHTTCFAGB-DDABOFDQSA-N 380.472 3.188 30 40 GGEB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)/C=C/c1ccc(C#N)cc1 16010570 SCYIALOGUMUPHH-VAWYXSNFSA-N 391.471 3.302 30 40 GGEB N#C[C@]1(c2ccccc2)CCc2c(sc3ncnc(N4CCOCC4)c23)C1 1085875 KRDNHMUEVGJFHS-NRFANRHFSA-N 376.485 3.478 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C\c2c(C)nn(Cc3ccccc3)c2C)cc1 33390337 BXTZDFLDSPPEJT-BKUYFWCQSA-N 382.489 3.169 30 40 GGEB CC(C)C(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C(C)C)cc1 5303159 WOKHJGHJZFGSLS-IEAPLQLESA-N 380.535 3.067 30 40 GGEB C=CCN(C(=O)Nc1ccc(OC)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 100165703 WBKFONJOMMXZKR-GOSISDBHSA-N 397.406 3.186 30 40 GGEB O=C1C[C@H](C(=O)Nc2cccc(F)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 100129427 BMAOIVYHTJEGMJ-YOEHRIQHSA-N 378.403 3.301 30 40 GGEB N#Cc1c(N)nc(SCC(=O)NCc2ccco2)c(C#N)c1-c1cccs1 20102929 ZALHRSRAGXAPMI-UHFFFAOYSA-N 395.469 3.137 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ncccc2c1=O 31615089 ZCZOFFYWUPHRSA-UHFFFAOYSA-N 386.864 3.362 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@@H]1c1ccc(OC)cc1 102800044 CHRDUJLYXGOOHU-HVESIFNPSA-N 387.457 3.215 30 40 GGEB Cc1ccccc1OCC(=O)Nc1sc(C(=O)N2CCCC2)c(C)c1C#N 872026 SLQWFQCWNYJRBT-UHFFFAOYSA-N 383.473 3.490 30 40 GGEB C=CCOc1ccc(C(=O)N(Cc2ccccc2)[C@H]2CCS(=O)(=O)C2)cc1 4182836 LIFMAXSTPAJAMG-IBGZPJMESA-N 385.485 3.081 30 40 GGEB C=CCNC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 2206528 YTLAFXQNZDORSF-UHFFFAOYSA-N 387.443 3.470 30 40 GGEB Cc1ccc(S(=O)(=O)O[C@@H]2C[C@@H]3c4ccccc4[C@@H]2c2cccc[n+]23)cc1 104137556 KEFABQULSGVEPI-YPAWHYETSA-N 378.473 3.495 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1OC 409015382 MQXSRRRWAMRNQO-LFIBNONCSA-N 382.803 3.458 30 40 GGEB N#CC1(NC(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)CCCCC1 6550564 VMLBPIHNJJMWBU-RMKNXTFCSA-N 378.375 3.187 30 40 GGEB Cc1nc2n(n1)/C(=N/c1ccc(Br)cc1)NC[C@H]2Cc1ccncc1 66088539 WYDRAMUTMONFHU-CQSZACIVSA-N 397.280 3.209 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C)c(F)c1 32635465 JXZXVKQMBBVWAI-FTFAEBDGSA-N 398.525 3.172 30 40 GGEB C=CCn1c(SC[C@@H](O)COc2ccc(F)cc2)nnc1-c1ccncc1 41690000 FCKMCRAZKJCNHJ-INIZCTEOSA-N 386.452 3.197 30 40 GGEB C=C[C@](C)(O)[C@@H]1C[C@@H]2[C@]3(C)CCCC(C)(C)[C@@H]3[C@H](OC(C)=O)[C@@H](O)[C@]2(C)O1 247999504 CTWGHMFXWBBNSE-CSZLWUPKSA-N 380.525 3.226 30 40 GGEB biogenic,in-vitro C=CCNc1oc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)nc1C#N 12421254 FTQZDOGXAVREAI-UHFFFAOYSA-N 386.477 3.232 30 40 GGEB CC(C)CC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(C(C)C)cc1 5205054 NCJMZROTOYPMFB-GPASRXLFSA-N 394.562 3.458 30 40 GGEB COc1c2c(c(C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c3c1OCO3)CCN(C)C2 20112871 OYVBBIHXXRAYEQ-VMPITWQZSA-N 396.399 3.216 30 40 GGEB biogenic COc1ccc([C@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2Cc2cccnc2)cc1 102856982 BRLWPSOOIPYXIC-WOOAAIBNSA-N 390.395 3.305 30 40 GGEB CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 104308380 ZLTMMYPRGNOAFV-CYVLTUHYSA-N 397.909 3.467 30 40 GGEB C=CCN(C(=O)c1csnn1)[C@@H](C(=O)NC(C)(C)CC)c1ccc(F)cc1 4965226 NRDZIIUNIQMQPV-MRXNPFEDSA-N 390.484 3.352 30 40 GGEB CC(C)(C)OC(=O)N1CCCN(c2nc(-c3ccccn3)ccc2C#N)CC1 22115496 CZBPMBYXDDZUGK-UHFFFAOYSA-N 379.464 3.462 30 40 GGEB N#CC1CCN(C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)CC1 58142774 BCQPTCKVNMCTGT-UHFFFAOYSA-N 387.436 3.002 30 40 GGEB COc1ccccc1NC(=O)[C@@H]1CC(=O)N(C)/C(=N/c2cccc(F)c2)S1 4471353 QEGAJNTWIKWJBB-XOMICKMZSA-N 387.436 3.424 30 40 GGEB COC(=O)c1cc(OC)c(OC)cc1NC(C)=C1C(=O)CC(C)(C)CC1=O 4741321 ZDXPMAWQKQYYHI-UHFFFAOYSA-N 375.421 3.135 30 40 GGEB CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)OCc1cn2ccccc2c1C#N 14852584 KWRPCQSMHGWNMJ-QFIPXVFZSA-N 389.455 3.238 30 40 GGEB C#CCN1C(=O)S/C(=C\c2cn(CC(=O)N(CC)CC)c3ccccc23)C1=O 409147051 UNIQHPDTKKVKLO-PDGQHHTCSA-N 395.484 3.179 30 40 GGEB COc1ccc(/C=N/N=C2\SCC(=O)N2Cc2ccc(F)cc2)c(OC)c1 33361948 KQGPFQKXVQDGJL-QLBZYLJCSA-N 387.436 3.308 30 40 GGEB C=CCn1c(C)cc(C(=O)CN2C(=O)N[C@](C)(c3cc(C)oc3C)C2=O)c1C 72066109 ATTYDGNIAREZDD-OAQYLSRUSA-N 383.448 3.151 30 40 GGEB NC(=O)c1ccccc1OCC#CCNC(=O)Nc1ccccc1C(F)(F)F 90743928 FEILORZLDAMYLO-UHFFFAOYSA-N 391.349 3.008 30 40 GGEB C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccc(Br)cc2)C1=O 36184139 KIVMCKZYHSDBLL-GOSISDBHSA-N 384.233 3.288 30 40 GGEB N#Cc1ccc(NC(=O)CN2CCCN(Cc3ccccc3)CC2)cc1Cl 22933163 SDCVIJFDBGRYRU-UHFFFAOYSA-N 382.895 3.358 30 40 GGEB CCc1cccc2c(C(=O)CN3CCN([C@H](C)/C(O)=N/C4CC4)CC3)c[nH]c12 40024844 YOZCERFXDMTKTN-OAHLLOKOSA-N 382.508 3.038 30 40 GGEB COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1ccc(O)cc1 102925466 RGAIXBNWXJMLQG-HVESIFNPSA-N 387.819 3.114 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccccc2c1=O 784854 UBLXKJWXGCELHN-UHFFFAOYSA-N 381.457 3.322 30 40 GGEB C=CCN(C(=O)c1ccc(-c2ccccc2Cl)o1)[C@@H]1CCS(=O)(=O)C1 58213659 VZFOYAHPQJNOIS-CYBMUJFWSA-N 379.865 3.415 30 40 GGEB CC(C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1C(C)C 101316704 VQMBELZOPUSLIR-SMXHQDLGSA-N 380.535 3.067 30 40 GGEB CCc1ccc(C(=O)COC(=O)[C@@H]2CCCN2/C=C/C(=O)C(F)(F)F)cc1 3334054 GYPURMOVOGCJLH-GDXASINISA-N 383.366 3.084 30 40 GGEB C#CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccccc1OC)N1CCCC1 63400359 WZDITAMSPWKTES-FQEVSTJZSA-N 381.476 3.270 30 40 GGEB C=C(C)CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 8130855 RDMGAYBLJXYYCS-UHFFFAOYSA-N 388.489 3.488 30 40 GGEB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccc(OCC#N)cc1 18829391 VAGGZVYOOMNLBY-GOSISDBHSA-N 383.473 3.079 30 40 GGEB CCCCCCCCCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C 97994418 PEWKVKHESQTLDN-UHFFFAOYSA-N 385.306 3.327 30 40 GGEB CCSc1nc2n(n1)[C@H](c1ccc(O)c(OC)c1)C1=C(C[C@@H](C)CC1=O)N2 14165119 LWYLDPIIWMNDGL-BMLIUANNSA-N 386.477 3.372 30 40 GGEB CCOc1ccc(S(=O)(=O)Nc2ccc(OCC#N)cc2)cc1OCC 17319970 NBUKRGJOZHFZOZ-UHFFFAOYSA-N 376.434 3.187 30 40 GGEB N=C(N)N/N=C(\C(=S)Nc1ccc(Br)cc1)c1ccccc1 4235541 NNJHBVLPFHBCPT-MOSHPQCFSA-N 376.283 3.076 30 40 GGEB CC(=O)Nc1ccc(C#CC2(NC(=O)Cc3csc(C)n3)CCCCC2)cn1 12670764 XNQJLAGRNNHQIZ-UHFFFAOYSA-N 396.516 3.218 30 40 GGEB C[C@@]1(c2cc(F)ccc2F)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 14902877 ISDMZONRXDBWHA-FQEVSTJZSA-N 380.354 3.056 30 40 GGEB C#CCn1/c(=N/C(=O)[C@H]2COc3ccccc3O2)sc2cccc(OCC)c21 100910429 LDJHHHGNQBUVRE-KTVWJZFRSA-N 394.452 3.002 30 40 GGEB Cc1cc(N(CCC#N)C(=O)Cn2ncc(Cl)c(Cl)c2=O)ccc1Cl 31682828 ULGWGYUSMVBJMY-UHFFFAOYSA-N 399.665 3.459 30 40 GGEB CNC(=S)N/N=C/c1c(C)n(CCOc2ccc(OC)cc2)c2ccccc12 4599438 NVFVDDRWKHFLRV-OEAKJJBVSA-N 396.516 3.465 30 40 GGEB C[C@@H](OC(=O)c1cc(Cl)ccc1[N+](=O)[O-])C(=O)NC1(C#N)CCCCC1 7505822 RJNCWLOWCUCSGX-LLVKDONJSA-N 379.800 3.136 30 40 GGEB COC(=O)Cn1/c(=N/N=C(\C)c2ccc([N+](=O)[O-])cc2)sc2ccccc21 8652622 KBPMMRMRFPTHLK-UCNDJUHZSA-N 384.417 3.109 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(C)cccc1C 32505743 XXZOEMOQMGNHMU-VHJGWARJSA-N 394.562 3.341 30 40 GGEB COc1ccc(C)cc1NC(=O)Cn1c(-c2ccc(C)cc2)ncc(C#N)c1=O 49006163 PLRPOBUEBDAQLK-UHFFFAOYSA-N 388.427 3.046 30 40 GGEB CC(C)Oc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C#N)CC2)c1 70462137 JIUQMJYDGBAHKD-UHFFFAOYSA-N 394.431 3.216 30 40 GGEB C=CC[C@]12C=C(OC)C(=O)[C@@H](C1=O)[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 169748413 OKURGHZJDGLSIP-ZPDOKQEQSA-N 386.444 3.307 30 40 GGEB N#Cc1cc(N)c(N2CCN(Cc3ccccc3)CC2)n1Cc1cccc(F)c1 225872213 SWYHCNQXIWOHMJ-UHFFFAOYSA-N 389.478 3.452 30 40 GGEB C=CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccccc2C)C1=O 2111604 ZKLQCRXEVZDHLA-NZQKXSOJSA-N 385.467 3.347 30 40 GGEB biogenic CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@H]1c1ccccc1 6812684 YOGJSJCRYYHUKQ-YDJIHCHBSA-N 390.439 3.416 30 40 GGEB C#CCN1CCC(C(=O)Nc2ccc(Oc3ccc(C)cc3OC)nc2)CC1 67163757 AQKSSENUUAYUET-UHFFFAOYSA-N 379.460 3.475 30 40 GGEB Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)S1 408720985 HRHCJMDXHMCXQF-BOPFTXTBSA-N 378.457 3.077 30 40 GGEB N#Cc1nc(-c2ccccc2F)oc1N1CCN(C(=O)c2ccc(F)cc2)CC1 6757404 BJEQUPDPEWYQEW-UHFFFAOYSA-N 394.381 3.454 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2ncccn2)cc1 102932943 FRWDHRYRKNJROI-HVESIFNPSA-N 375.384 3.313 30 40 GGEB N#Cc1cccc(NC(=O)Cn2cccc(-c3nc(-c4ccccc4)no3)c2=O)c1 23125711 IENSBSAIYPQABJ-UHFFFAOYSA-N 397.394 3.076 30 40 GGEB C=CCNS(=O)(=O)c1ccc(Nc2ccnc3cc(OC)c(OC)cc23)cc1 65005328 JRQBWAPFVZKSFO-UHFFFAOYSA-N 399.472 3.460 30 40 GGEB CSc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 59514524 PWNSMZLUJQNEEK-XSFVSMFZSA-N 383.525 3.240 30 40 GGEB O=S(=O)(/N=C(\O)C1(c2cccc(Cl)c2)CC1)c1ccc2c(c1)OCCO2 48470304 JZSRRAIYYUZSQU-UHFFFAOYSA-N 393.848 3.488 30 40 GGEB C[C@@H](Oc1cccc(C#N)c1)C(=O)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 72303603 MROIAGLCNUHKOM-GFCCVEGCSA-N 376.372 3.083 30 40 GGEB C=CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1 5483391 XBRJNOXTKFRHGG-UHFFFAOYSA-N 394.387 3.482 30 40 GGEB C=CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)c1ccc2c(c1)OCO2 4943827 GUTHNNINQLPKLY-UHFFFAOYSA-N 393.399 3.302 30 40 GGEB Cc1cc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c2c1C(=O)/C(=C/c1cccnc1)O2 94993338 JHOVDKNRNMUVIR-BWBKDGHCSA-N 380.444 3.321 30 40 GGEB N#Cc1cccc(NC(=O)c2ccc(-n3nnc4ccccc43)c([N+](=O)[O-])c2)c1 8724203 KHSGIIAECNADBB-UHFFFAOYSA-N 384.355 3.453 30 40 GGEB COc1ccc(CN(C)CCC(=O)Nc2sccc2C#N)c(OC)c1OC 8943067 LQZWAZRVOLMJOC-UHFFFAOYSA-N 389.477 3.106 30 40 GGEB CCOC(=O)COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1OC 35352294 VTPLQWUDIPZOSA-UHFFFAOYSA-N 381.432 3.032 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc3c(c2)OCCO3)sc2cccc(OCC)c21 2715706 GAHYHRPMFSWEQL-DQRAZIAOSA-N 394.452 3.247 30 40 GGEB COc1ccc([C@H]2c3ccc(N)cc3Oc3nc(N)c(C#N)c(N)c32)cc1OC 36559237 TYIPNWNFDYQYJX-KRWDZBQOSA-N 389.415 3.003 30 40 GGEB C=CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2nc1NCc1ccccc1 20059534 JAXMDMJZYHJJEV-UHFFFAOYSA-N 399.454 3.079 30 40 GGEB O=C1/C(=C/c2cccc(O)c2)N(Cc2cccnc2)S(=O)(=O)c2ccccc21 9422111 GKUHGATWWMQCNS-UNOMPAQXSA-N 392.436 3.216 30 40 GGEB N#Cc1ccc(F)c(CS(=O)(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)c1 500676799 ILZJVVKHNPNRFD-GOSISDBHSA-N 376.428 3.373 30 40 GGEB C=CCOc1ccc(C=c2sc3nc(-c4ccccc4C)nn3c2=O)cc1 254419833 LPTZPQMRACBHDF-UHFFFAOYSA-N 375.453 3.239 30 40 GGEB Cc1n[nH]c(=S)n1/N=C/c1cc(Br)c(O)c(Br)c1 8375089 JVSSFJTWEWOPLP-YIXHJXPBSA-N 392.076 3.362 30 40 GGEB COC(=O)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCCC3)cc1 9404819 NKFNQYXZTSWAII-UHFFFAOYSA-N 399.497 3.412 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2)c1 18097294 AIBSXGZOFCOXHO-HXUWFJFHSA-N 378.472 3.443 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccc(OC)c(OC)c2)sc2cc(OC)ccc21 100875894 ZBNJBYCSZZKKER-MRCUWXFGSA-N 382.441 3.103 30 40 GGEB CCOc1ccc([C@@H]2/C(=C(\O)c3ccco3)C(=O)C(=O)N2c2ncccn2)cc1 102803046 PITGZPHOQKQNHB-GROYHEBESA-N 391.383 3.095 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@H](c2cccc(F)c2)/C1=C(\O)c1cccs1 102932988 XUCOPGFHAVUPCG-DLBSFMOSSA-N 387.432 3.488 30 40 GGEB CCOC(=O)/C(=N\Nc1ccccc1C)Sc1nnnn1-c1ccc(C)cc1 33343479 PGYWZSUFGBADDP-HEHNFIMWSA-N 396.476 3.360 30 40 GGEB COc1cc(/C=N/n2c(C)nc3c([nH]c4ccc(Cl)cc43)c2=O)ccc1O 2269244 VABGISYCXFZGON-ZVBGSRNCSA-N 382.807 3.436 30 40 GGEB N#Cc1cc([N+](=O)[O-])ccc1N1CCC(C(=O)N2CCc3ccccc3C2)CC1 12538919 ZQSZWQBTTBCSSS-UHFFFAOYSA-N 390.443 3.268 30 40 GGEB COc1ccccc1NC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2 13736190 DFDSDEHIHXSNAM-UHFFFAOYSA-N 381.432 3.139 30 40 GGEB COc1cc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 9225540 OPTNWEHEYMZDKQ-BLVKFPJESA-N 378.388 3.001 30 40 GGEB Cc1csc([C@H](C#N)C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n1 7735177 VZQDKQYTJGQPAI-SECBINFHSA-N 375.759 3.162 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 17007076 QQZTUTMXQURVJC-ZDUSSCGKSA-N 383.452 3.251 30 40 GGEB CC1=CC(=O)/C(=C\Nc2ccc3c(c2)C(=O)N(C)c2cccnc2S3)C(=O)O1 1547200774 FAGKFKXFHQNWEO-GXDHUFHOSA-N 393.424 3.148 30 40 GGEB COC1=N[C@@]2(O)C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@]32S1 118936489 WOKYKYYRLSDRHQ-CMBJTQIYSA-N 391.533 3.050 30 40 GGEB CCCCCCN(CCN1CCOCC1)C(=O)[C@H](C)Oc1ccccc1C#N 48343289 CZNGRYUFZFFOCU-IBGZPJMESA-N 387.524 3.067 30 40 GGEB O=CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(O)cc3)C(=O)[C@@H]12 59484509 ASNXJWKMSBJPMJ-YCIYHOANSA-N 395.414 3.142 30 40 GGEB biogenic Cc1ccccc1/N=C1\SCCN1C(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 12864750 BSTZCPZBKYLTHV-CJGIQCGSSA-N 375.519 3.012 30 40 GGEB COc1ccc2c(c1)CCC[C@@]2(O)C#C[C@]1(O)CCCc2cc(OC)ccc21 4769002 MHOMBPPRCDOIMK-DNQXCXABSA-N 378.468 3.455 30 40 GGEB Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/N=c3/[nH]c(C)cs3)cc2)cc1 59383432 MRXWBZQPTMIARL-YBFXNURJSA-N 387.486 3.396 30 40 GGEB N#Cc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 5788514 VMRFKMFKGDVVBW-UHFFFAOYSA-N 382.375 3.351 30 40 GGEB CN(C)S(=O)(=O)c1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)cc1 8078368 VOKRJAZZKXFHCC-FPYGCLRLSA-N 393.848 3.215 30 40 GGEB COc1ccc(C/N=C/c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1 408848800 ULYKRCHJNCDUMX-BUVRLJJBSA-N 391.471 3.128 30 40 GGEB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1c1nc(C#N)c(NCCN2CCOCC2)o1 27562291 WRKOWFGIIUZZAU-RISCZKNCSA-N 385.295 3.349 30 40 GGEB Cc1nc(C)c(/C(O)=C2\C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccco2)s1 102740958 SFVKMJYGPDPGSD-IBOXJLQUSA-N 395.440 3.370 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc(OC)cc(OC)c2)sc2cccc(OCC)c21 100909927 QXKHSQCVFZRYNJ-DQRAZIAOSA-N 396.468 3.493 30 40 GGEB C=CCc1cc(CN2[C@H]3CC[C@H]2CC(O)(c2nccn2C)C3)cc(OCC)c1O 100765707 FLOPHNDMROQXBZ-OALUTQOASA-N 397.519 3.268 30 40 GGEB C=CCN(CC(=O)Nc1ccc(C#N)cc1)S(=O)(=O)c1ccc(Cl)cc1 9376986 TVULFLKJRWEDDE-UHFFFAOYSA-N 389.864 3.027 30 40 GGEB CCOc1cc(/C=N/Nc2ncccc2[N+](=O)[O-])cc(Br)c1O 4675560 LSRRXZPEWXLZHK-CAOOACKPSA-N 381.186 3.303 30 40 GGEB CCOc1ncccc1C(=O)OCC(=O)Nc1sc2c(c1C#N)CCCCC2 5787418 OJXAHMZADGPKIT-UHFFFAOYSA-N 399.472 3.478 30 40 GGEB CN(C)c1nc(N/N=C/c2ccc([N+](=O)[O-])cc2)nc(Nc2ccc(F)cc2)n1 408720848 FRFSVCIHORFBMU-RGVLZGJSSA-N 396.386 3.175 30 40 GGEB Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccncc3)[C@@H]2c2ccccc2)s1 8416850 CGTWORCMFNAHAY-HNNXBMFYSA-N 378.413 3.024 30 40 GGEB CSc1ccc(C)c(/C(O)=N/S(=O)(=O)c2ccc3c(c2)OCCO3)c1 84177592 PROFNPPAFJZBFA-UHFFFAOYSA-N 379.459 3.182 30 40 GGEB N#CCSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 9946468 HYQANPPWALYIOP-UHFFFAOYSA-N 379.436 3.470 30 40 GGEB COc1ccc(S(=O)(=O)/N=C(\O)[C@@H](C)Oc2ccc(Cl)cc2)cc1OC 39981975 BDHMPKMEAWPVGU-LLVKDONJSA-N 399.852 3.470 30 40 GGEB C#CCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OC 19972691 DGSZVFITJUSBOE-UHFFFAOYSA-N 377.440 3.408 30 40 GGEB C=CCN1CCC[C@@]2(CC1)CN(C(=O)Cc1ccccn1)Cc1ccccc1O2 12133585 FYYGNYNUDUYVCI-XMMPIXPASA-N 391.515 3.456 30 40 GGEB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)Nc3sccc3C#N)cc2)n1 3392897 SDHSSSWGVPBZBS-UHFFFAOYSA-N 380.429 3.218 30 40 GGEB O=S(=O)(/N=C(\O)CCc1nnc(-c2ccsc2)o1)c1ccc(F)cc1F 48458826 LTSHKBMRPDBXNG-UHFFFAOYSA-N 399.400 3.354 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)cc2)[C@H]1c1cccnc1 13127732 RTEVBHWQNNDLIP-HXUWFJFHSA-N 393.487 3.310 30 40 GGEB C=CCOc1ccccc1/C=c1/sc2nc(-c3cccc(C)c3)nn2c1=O 6479027 VKWDZXROIWMWFA-QGOAFFKASA-N 375.453 3.239 30 40 GGEB N#Cc1ccc(-c2ccc(OCC(=O)N3N=CC[C@@]3(O)C(F)(F)F)cc2)cc1 5505070 QHHNTJYQWZFBNF-GOSISDBHSA-N 389.333 3.073 30 40 GGEB C=CCN(C(=O)c1ccc(N2C(=O)c3cncnc3C2=O)cc1)c1ccccc1 408975510 LFGBHAWCEAEZIH-UHFFFAOYSA-N 384.395 3.110 30 40 GGEB C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)OCC(C)C)C1=O 408527355 DGXNVXDTTPJNOT-YBEGLDIGSA-N 375.446 3.487 30 40 GGEB C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCOC)C2=O)cc1OC 409149076 WWKMUAJMFXIXKM-GXDHUFHOSA-N 381.837 3.043 30 40 GGEB COc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc([N+](=O)[O-])c1O 34868168 YXBJOMRSNIEUMZ-AATRIKPKSA-N 384.388 3.042 30 40 GGEB Cc1nc2ccccc2c(=O)n1/N=C/c1cc(C(C)(C)C)cc([N+](=O)[O-])c1O 36213153 BUEOGXQYUQCSDU-SRZZPIQSSA-N 380.404 3.498 30 40 GGEB Cc1csc(NC(=O)CN2CCC(COCc3ccc(C#N)cc3)CC2)n1 77191680 ZEWADUYPHNIHHM-UHFFFAOYSA-N 384.505 3.191 30 40 GGEB CN1C/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C1 17378608 BXKGLLLSZMXQNE-VAQFQWRASA-N 379.372 3.485 30 40 GGEB O=C(C[C@@H]1S/C(=N\N=C2CCCCCC2)NC1=O)Nc1ccccc1F 5450566 FBEUGYHAKAAKEI-HNNXBMFYSA-N 376.457 3.452 30 40 GGEB Cc1ccc(F)cc1NC(=O)Cn1c(-c2ccc(F)cc2)ncc(C#N)c1=O 49006183 MGEUAULSZFNLOT-UHFFFAOYSA-N 380.354 3.007 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1OC 2807270 PAXIWURLARLLNU-LDADJPATSA-N 378.428 3.338 30 40 GGEB COC(=O)c1n[nH]c2ccc(NC(=O)c3c(C)oc(-n4cccc4)c3C#N)cc12 25081928 OSVDYCCWNQAFTJ-UHFFFAOYSA-N 389.371 3.166 30 40 GGEB COc1ccc(-n2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 25183587 MZUOSTUYWCYCIL-UHFFFAOYSA-N 394.866 3.128 30 40 GGEB O=C1C(=O)N(Cc2cccnc2)[C@@H](c2cccnc2)/C1=C(\O)c1cccs1 102802954 NESPSMRASRXLFT-HVESIFNPSA-N 377.425 3.160 30 40 GGEB CSc1c(Br)csc1/C(=N/OS(C)(=O)=O)C(F)(F)F 2184155 NIKMFIBRBTZNSR-QPEQYQDCSA-N 398.247 3.475 30 40 GGEB C#CCn1/c(=N/C(=O)c2cnc3ccccc3n2)sc2cc(OCC)ccc21 100875952 NYKOQERDPVKTKZ-FLFQWRMESA-N 388.452 3.419 30 40 GGEB CC(C)(C)n1nc(/C(O)=N/S(=O)(=O)c2ccc(F)cc2F)cc1C1CC1 48459589 MVSWKSSOPGRLAM-UHFFFAOYSA-N 383.420 3.487 30 40 GGEB CCOc1ccccc1-n1nnnc1SCc1cn2ccccc2c1C#N 14076041 YPAKKCADEOWBIX-UHFFFAOYSA-N 376.445 3.478 30 40 GGEB COC(=O)/C=C1/S/C(=N\CCc2ccccc2)N(CCc2ccccc2)C1=O 4682458 WGVXGHWKDYOVLX-FYEJTDSRSA-N 394.496 3.460 30 40 GGEB COC(=O)c1ccc(-c2noc(C(=O)Nc3ccc(C#N)c(Cl)c3)n2)cc1 83895793 AQSJGICGWFCDEN-UHFFFAOYSA-N 382.763 3.301 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@H](c2cccc(F)c2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218371010 JTSSQVGGACJVGT-WSTZPKSXSA-N 387.432 3.147 30 40 GGEB C=CCN(c1ccccc1C(=O)OCC)S(=O)(=O)c1ccc(OC)cc1 224853277 WRPLXOCXYVRKLD-UHFFFAOYSA-N 375.446 3.253 30 40 GGEB COc1ccc(-c2nc(NCCc3cn4ccccc4n3)nc(O)c2C#N)cc1 40130048 FKWCGIFRFDGMNT-UHFFFAOYSA-N 386.415 3.032 30 40 GGEB CC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@]1(NC(=O)CC(C)C)C(F)(F)F 12402670 YOVUDRVXBWBXFW-SFHVURJKSA-N 388.430 3.488 30 40 GGEB CC[C@@H](C(=O)Nc1ccc(Oc2ncccc2C#N)cc1C)N1CCCC1=O 84718763 RCFLNZINCDZNDR-SFHVURJKSA-N 378.432 3.394 30 40 GGEB NS(=O)(=O)c1cccc(/N=C2\C(=O)N(Cc3ccccc3)c3ccccc32)c1 5416325 XXTUQWNMJXRKSW-ATJXCDBQSA-N 391.452 3.002 30 40 GGEB O=C(O)c1cc(/N=C\c2cc(Br)c(N3CCOCC3)o2)ccc1O 408853448 SNQFLLAINBDKTR-NVMNQCDNSA-N 395.209 3.033 30 40 GGEB C#CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 408816351 YIZFCXUEOFFQPX-GZTJUZNOSA-N 394.814 3.327 30 40 GGEB CCOc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)=O 32180954 JERBYRFDCUOKGF-ZDLGFXPLSA-N 388.336 3.273 30 40 GGEB CCn1ncc(/C=N/Nc2nc(-c3cn(C)nc3C)cc(C(F)(F)F)n2)c1F 252510699 ZOKNYISQEHHFCQ-AERZKKPOSA-N 396.352 3.006 30 40 GGEB C=C(C)CN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)C1CC(F)C1)C2 585107125 PSXAXCHGUQXSTG-XWTGJVNOSA-N 380.467 3.444 30 40 GGEB N#Cc1ccc(N=c2[nH]c([C@H]3CCCN(Cc4ccncc4)C3)cs2)cn1 585294374 DKTSCWKKORTDBF-INIZCTEOSA-N 376.489 3.350 30 40 GGEB C=CCn1/c(=N/C(=O)c2ccccc2S(C)(=O)=O)sc2cc(F)ccc21 101041723 VIIJKYZEQZPLQW-ZZEZOPTASA-N 390.461 3.173 30 40 GGEB N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)C[C@H](c1ccccc1)O3 23935300 BWBIBKSZOXBZAY-MRXNPFEDSA-N 386.459 3.332 30 40 GGEB aggregator CC(=O)Oc1ccccc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)N(C)C1=O 4957300 DMAGJPZUNXCBCK-QBEKEKFNSA-N 397.456 3.202 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CCC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 100937036 OEJBRXLCMKRGRO-UOOAFGRTSA-N 394.562 3.431 30 40 GGEB CCNC(=O)/N=C(\NCCc1c[nH]c2ccc(F)cc12)Nc1nc(C)cc(C)n1 10338498 MZISTEZXDBLOBM-UHFFFAOYSA-N 397.458 3.044 30 40 GGEB C[C@@H]1c2cc3c(cc2CCN1CC(=O)Nc1cccc(C#N)c1)OCCCO3 5422895 GAIAQWRWVRAJJR-OAHLLOKOSA-N 377.444 3.277 30 40 GGEB COc1ccc(/N=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)c(OC)c1 408806344 BBOYUVNOVYLJIW-VFOSSOBBSA-N 398.459 3.128 30 40 GGEB Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H]1CCN(C2CCCCCC2)C1 72230576 DTVRJILQMWHJIG-IBGZPJMESA-N 385.556 3.260 30 40 GGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 409237740 LKFQLCZRQXSFJI-LDADJPATSA-N 376.412 3.109 30 40 GGEB CCC(CC)C(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(C)cccc1C 32505745 XXZOEMOQMGNHMU-KZLHXAFESA-N 394.562 3.341 30 40 GGEB O=C(O)CS/C(=N/c1cccc(Cl)c1)NS(=O)(=O)c1ccccc1 6013585 HJIBJAMQFWZPNG-UHFFFAOYSA-N 384.866 3.124 30 40 GGEB O=C1ON=C(c2cccc(I)c2)/C1=C/c1ccccc1O 12375276 XCUSKMLMWQEMHI-LCYFTJDESA-N 391.164 3.341 30 40 GGEB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccccc1)NO 4270232 MOMBARHCBKNHPI-UHFFFAOYSA-N 379.445 3.072 30 40 GGEB C=CCn1cc(C(=O)Nc2nccs2)c2nn(-c3ccccc3)c(=O)c-2c1 9663195 IRDFLFBEQKUOHF-UHFFFAOYSA-N 377.429 3.034 30 40 GGEB CC1=NN(c2ccccc2)C(=O)[C@H]1/C=N/c1c(C)n(C)n(-c2ccccc2)c1=O 101331033 BIVZCZGVKQQSKT-WQZUMXOESA-N 387.443 3.226 30 40 GGEB Cc1sc(NC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)o2)c(C#N)c1C 33150900 KAJDRYTXDHDONP-UHFFFAOYSA-N 381.479 3.159 30 40 GGEB C=C(C)Cn1c(SCC(=O)O)nc2sc3c(c2c1=O)CC(C)(C)OC3 2260552 GYSGOBLNFJCIEH-UHFFFAOYSA-N 380.491 3.062 30 40 GGEB C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1cccc(C)c1 3378744 XFZPPVPBLKSEGO-UHFFFAOYSA-N 390.472 3.294 30 40 GGEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118929307 KGOJBGFCQASCHE-HGBIFODKSA-N 378.484 3.147 30 40 GGEB O=S(=O)(/N=C(\O)CCc1cccc(Cl)c1)c1ccc2c(c1)OCCO2 48461800 IBJSKHIGFFZLMA-UHFFFAOYSA-N 381.837 3.389 30 40 GGEB Cc1cc(C)n2nc(SCC(=O)Nc3c(C#N)oc4ccccc34)nc2n1 3527842 OJTLRCRPNRSKNW-UHFFFAOYSA-N 378.417 3.090 30 40 GGEB O=C1C(=Cc2ccc(O)c(I)c2)C(=O)c2ccccc21 4544581 VOZPIGPXPZLZQL-UHFFFAOYSA-N 376.149 3.459 30 40 GGEB C[C@@H](Cc1cccc(F)c1)/C(O)=N/S(=O)(=O)c1ccc2c(c1)OCCO2 84640746 BHBZUPRZMWIXPS-LBPRGKRZSA-N 379.409 3.121 30 40 GGEB C#CCOc1ccc(Br)cc1/C=N\NC(=S)NCc1ccco1 36542268 QXZZZPNJYXCTKF-GRSHGNNSSA-N 392.278 3.052 30 40 GGEB CCc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)cc1 256047792 OTDIFPOQORYGPD-UHFFFAOYSA-N 376.439 3.167 30 40 GGEB CCOC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(C(=O)OC)cc1)C2=O 5900977 JTWYDYKVJFHWGP-ZDLGFXPLSA-N 382.368 3.031 30 40 GGEB biogenic COC(=O)C1=C(C)N(c2ccccc2OC)C(=S)N[C@@H]1c1ccc(C#N)cc1 12557375 MPWKHQBCNUTDHF-LJQANCHMSA-N 393.468 3.450 30 40 GGEB CCOC1(OCC)N=C(N)[C@@]2(C#N)[C@H](c3cccc(Cl)c3Cl)[C@@]12C#N 19857700 JVADAEPYKLFVFA-NUEKZKHPSA-N 379.247 3.208 30 40 GGEB C=CCn1ccc2c(OCC(=O)Nc3ccc([N+](=O)[O-])cc3)cccc2c1=O 4584236 BESHASQVUFEEMV-UHFFFAOYSA-N 379.372 3.113 30 40 GGEB CC(=O)N1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3)c2C#N)C1 4275241 BNFBMSZYKRWWEB-UHFFFAOYSA-N 389.864 3.195 30 40 GGEB O=c1[nH]c(O)c(/C=N/c2cccc3ccccc23)c(=O)n1-c1ccc(F)cc1 104228325 MXMBMGXUMDKVDE-FSJBWODESA-N 375.359 3.274 30 40 GGEB Cn1ccnc1CN(C(=O)c1ccc(COc2ccccc2C#N)o1)C1CC1 54039438 OSCODHQKVOSBAV-UHFFFAOYSA-N 376.416 3.269 30 40 GGEB O=S(=O)(CCCON=C1CCC2(CC1)OCCO2)c1ccc(Cl)cc1 72274631 GUQGQCLRWIZZIP-UHFFFAOYSA-N 387.885 3.194 30 40 GGEB N#Cc1ccc(CSc2ccccc2C(=O)N2CCC(C(N)=O)CC2)cc1 12793326 RLDSSZRBQMJOTN-UHFFFAOYSA-N 379.485 3.188 30 40 GGEB CCn1c2c(c(=O)[nH]c1=O)[C@@H](c1ccc(C)cc1)C1=C(N2)c2ccccc2C1=O 3646432 DDHVSXYBRNPJHR-INIZCTEOSA-N 385.423 3.030 30 40 GGEB C[C@H](C#N)CSc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12 65453192 LBNVFJUSJWYGNF-CQSZACIVSA-N 392.484 3.366 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@@H]1c1ccco1 5799469 BTVUGMWHUMILQE-WOOAAIBNSA-N 382.460 3.352 30 40 GGEB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2sccc2C#N)CC1=O 8037002 QGLXMEYBXUNANY-NSHDSACASA-N 375.837 3.273 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(Cl)cc1 16927691 PUFHTIYGAZNXMA-CHWSQXEVSA-N 393.944 3.326 30 40 GGEB C=CCN1C(=O)N[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)OCC)=C1C 8323733 VXCLEIXVFFVSOA-OAHLLOKOSA-N 379.800 3.338 30 40 GGEB C=CCN(c1cccc(C(=O)OC)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225008963 YESXKVXPFMQIQP-UHFFFAOYSA-N 390.417 3.071 30 40 GGEB Nc1nc2n(n1)[C@H](c1ccnc3ccccc13)C1=C(C[C@@H](c3ccco3)CC1=O)N2 18200645 RZLKXUXEVZIJJP-MPBGBICISA-N 398.426 3.417 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1C1CC1 40018125 JOFNKWCFMGMSKF-BFUOFWGJSA-N 384.509 3.210 30 40 GGEB CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc([N+](=O)[O-])cc1 850218 IVISDYDMLJIUML-HNNXBMFYSA-N 386.404 3.085 30 40 GGEB CCCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=O)[nH]c(=O)c32)cc1 4487894 NANCRJYWCNLOKF-MRXNPFEDSA-N 395.459 3.053 30 40 GGEB N#Cc1ccccc1-c1ccccc1C(=O)N1CCN(C(=O)c2ccco2)CC1 9336870 QGRJJFYBPUZILL-UHFFFAOYSA-N 385.423 3.416 30 40 GGEB CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)[C@@]1(NC(=O)CC(C)C)C(F)(F)F 12402714 DCHCIALQTWKGJA-LJQANCHMSA-N 396.409 3.355 30 40 GGEB C=CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)OCC(C)C)cc1OC 16734318 ZYOPPADEROWLBX-SFHVURJKSA-N 390.505 3.252 30 40 GGEB N#Cc1cnn2c(O)cc(CSc3nnc(Nc4ccccc4)s3)nc12 40114242 PSBNKEGCABCNBP-UHFFFAOYSA-N 381.446 3.194 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(Cl)c1 101314514 BAWAZAVFBKTFGI-OXLCNLPBSA-N 393.317 3.005 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccco1 102496557 CRSAEGFTRIIUKS-LFVOPCPISA-N 398.459 3.052 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1 102801181 JGHLXJFMQGLOEF-LFVOPCPISA-N 399.418 3.293 30 40 GGEB N#C[C@]1(CO)[C@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 242648783 RHKZGZVVHFEOJX-ZACQAIPSSA-N 382.268 3.435 30 40 GGEB C=CCc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC 409069815 AKCKCQVODQSMKT-SFQUDFHCSA-N 392.411 3.099 30 40 GGEB Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2Cl)c(=O)c1C#N 409412651 ZAYMPNLNEVJLSU-UHFFFAOYSA-N 394.656 3.391 30 40 GGEB CC(C)(C)OC(=O)N1CCOc2c(cccc2B2OC(C)(C)C(C)(C)O2)C1 669371723 VCLMDXNCHWBYTK-UHFFFAOYSA-N 375.274 3.115 30 40 GGEB N#Cc1cccc(CNC(=O)c2cnn(-c3ccc(Br)cc3)c2)c1 44484725 GUWOSFDFVXSDBE-UHFFFAOYSA-N 381.233 3.436 30 40 GGEB N#CC1CCN(C(=O)NCc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 58324138 PRLSZUAYXVEVBK-UHFFFAOYSA-N 377.370 3.336 30 40 GGEB COC(=O)Cn1c(C)c(/C=N/NCc2ccc(OC)c(OC)c2)c2ccccc21 20196662 MZQAAKJAZSEXPA-ZMOGYAJESA-N 395.459 3.264 30 40 GGEB C/C(=N\Nc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)c1cccs1 4798185 QMPPSIIDVCBORL-ZVHZXABRSA-N 395.492 3.349 30 40 GGEB COCCNC(=O)CN1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccco1 21721956 IGPQYMOALVWGTB-QFIPXVFZSA-N 395.459 3.023 30 40 GGEB N#Cc1ccccc1CS(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 8945396 BYAHMIAWLGHAPG-IBGZPJMESA-N 398.484 3.386 30 40 GGEB CN(C)c1ccc(C=Nn2c(O)nc3ccccc3c2=O)c(OCC(C)(C)C)c1 409354609 ACJBWCRHKFXQEA-UHFFFAOYSA-N 394.475 3.475 30 40 GGEB Cc1ccc(-n2nc(C#N)c(N3CCN(c4ccccc4F)CC3)n2)c(C)c1 256045853 BIMOUQORPPCKDF-UHFFFAOYSA-N 376.439 3.222 30 40 GGEB N#C[C@@H]1C(=O)Nc2nc(N3CCCCC3)[nH]c(=O)c2[C@H]1c1cccc2ccccc12 19961493 KKHKPCBRTRSEBA-ROUUACIJSA-N 399.454 3.137 30 40 GGEB COc1ccc(OCc2ccc(-c3nc(C#N)c(N4CCN(C)CC4)o3)o2)cc1 8673379 GEGQRFUZGNRQGJ-UHFFFAOYSA-N 394.431 3.146 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2c[nH]c3ccccc23)[C@H]1c1ccccc1 102744960 IQSMNTKWVGQRTP-YDJIHCHBSA-N 389.455 3.151 30 40 GGEB Cc1ccc2nc(SCC(=O)Nc3ccccc3C(N)=O)c(C#N)cc2c1 832536 TZBWXWDKGBRSHK-UHFFFAOYSA-N 376.441 3.245 30 40 GGEB COCCN(CCOC)Cc1c(O)ccc2c1O/C(=C\c1ccc(C)cc1)C2=O 2358829 UEQBSRWNDVENPF-STZFKDTASA-N 397.471 3.412 30 40 GGEB N#Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)cc1 3259790 FNAOSTAOEREOHM-XNTDXEJSSA-N 383.454 3.086 30 40 GGEB Cc1cc(C#N)ccc1NC1CCC(OC(=O)CCCNC(=O)C2CC2)CC1 95444275 LZESICRTLLIQAV-UHFFFAOYSA-N 383.492 3.439 30 40 GGEB Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)[C@H]2c2ccc(N(C)C)cc2)no1 9460844 JAJOVFDHBULSGV-GOSISDBHSA-N 393.399 3.425 30 40 GGEB C[C@@H](OC(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)Nc1sccc1C#N 7551808 GZYNENFGZNSDCX-MFKMUULPSA-N 390.848 3.395 30 40 GGEB C[S+](C)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 38528862 GISJUEDVTKUNEK-IBGZPJMESA-O 386.493 3.246 30 40 GGEB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2ccc(C3(C#N)CC3)cc2)c1 225965878 OHAVHBUVWGGKND-UHFFFAOYSA-N 383.473 3.280 30 40 GGEB C=CCn1c(N2CCC(C(=O)Nc3ccc(OC)nc3)CC2)nc2ccccc21 12116496 GZPNKAJXQUONTB-UHFFFAOYSA-N 391.475 3.481 30 40 GGEB COc1cc2c(cc1OC)CN(C(=O)Cn1c(C)cc(C)c(C#N)c1=S)CC2 1070179 BYQANIWUQPPXNE-UHFFFAOYSA-N 397.500 3.308 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)CSc1nnc(-c2ccccc2Cl)n1C 3334726 ZGHRUUAZGGCJFJ-QGZVFWFLSA-N 377.901 3.282 30 40 GGEB CCOC(=O)C1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 12893051 RVGGKFVOSXEYQT-MRXNPFEDSA-N 384.819 3.394 30 40 GGEB O=C(NC1=C(Cl)C(=O)c2ccccc2C1=O)OCc1ccc([N+](=O)[O-])cc1 4050686 XBENIGAHTQBCQR-UHFFFAOYSA-N 386.747 3.351 30 40 GGEB CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(C#N)cc1OC 5629722 XUWYEUIFUFPSCF-UHFFFAOYSA-N 388.445 3.385 30 40 GGEB N/C(=N\c1ccc2c(c1)OCCO2)SCc1cc(F)cc2c1OCOC2 15456645 OWVCRSGZIIUZFB-UHFFFAOYSA-N 376.409 3.343 30 40 GGEB C#Cc1cccc(NC(=O)CNC(=O)N[C@@H]2C[C@@H](OCC)C23CCCCC3)c1 97012489 AUTMZSWBNQIYOM-RTBURBONSA-N 383.492 3.034 30 40 GGEB C=CCOc1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1Br 409132572 QMNNFWKMPVKZPG-KPKJPENVSA-N 398.234 3.135 30 40 GGEB CC1=NOC(=O)/C1=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 409090165 LUVYTCOOGSMQQD-GDNBJRDFSA-N 377.805 3.424 30 40 GGEB CCn1c(Cc2ccc(C#N)cc2)nnc1N1CC[C@H]2[C@H](CCCN2C2CC2)C1 1121762191 JQDTWZJHDZICSE-CTNGQTDRSA-N 390.535 3.214 30 40 GGEB C=CCc1cc(/C=C2\SC(=O)N(CC(=O)OCC)C2=O)cc(OCC)c1O 1137669 DWSTXSQARSPSCW-GDNBJRDFSA-N 391.445 3.119 30 40 GGEB CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1 4717929 ZRPHZYINOYRYBN-AVYPCKFXSA-N 379.412 3.073 30 40 GGEB CN1CCC/C1=N\S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 102787723 PBCITKSYGPRIER-HEHNFIMWSA-N 391.880 3.405 30 40 GGEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12920890 MHGRJFQCCMDUDZ-FUHWJXTLSA-N 376.460 3.236 30 40 GGEB C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 6016108 STHOTDFXKSWSPZ-UHFFFAOYSA-N 395.278 3.166 30 40 GGEB C=CCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225000148 WXCYPFJWSQPNDM-UHFFFAOYSA-N 390.417 3.153 30 40 GGEB CCOc1cc(/C=N/Nc2nc(C)cc(COC)c2C#N)ccc1OCC#N 33958465 JWJFBRBHALCGPM-FSJBWODESA-N 379.420 3.155 30 40 GGEB Cc1ccc(C(=O)C2=C(O)C(=O)N(CCc3cnc[nH]3)[C@@H]2c2ccco2)cc1 36612939 NSSRMZWPCJRQIE-GOSISDBHSA-N 377.400 3.132 30 40 GGEB CN/N=C(\C)[C@@H](CN(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841729 YCBFGMOJGGMQJD-QYTZYVLMSA-N 393.487 3.404 30 40 GGEB COc1ccc(N2C[C@H](C(=O)Nc3ccc(C#N)c(Cl)c3)CC2=O)cc1OC 12913808 ABEKAYARLWAYLC-CYBMUJFWSA-N 399.834 3.220 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)c(C)c1 11371241 DUVTWDJDMJBRNW-UHFFFAOYSA-N 397.500 3.215 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)c1 13065770 VELANZKPKPTLCS-LJQANCHMSA-N 382.460 3.426 30 40 GGEB CCCCCCCCNC(=O)c1ccc(N2C(=O)c3cnncc3C2=O)cc1 408974906 FJCXTZKLNMGSJJ-UHFFFAOYSA-N 380.448 3.368 30 40 GGEB CCNC(=O)C[C@H]1S/C(=N\c2cc(Cl)c(O)c(Cl)c2)N(CC)C1=O 4699864 LECNOVRYLQJQJN-QNPMFDGYSA-N 390.292 3.177 30 40 GGEB CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1ccccc1C#N 6881902 ZSQHQWYCUPEZNF-UHFFFAOYSA-N 384.867 3.419 30 40 GGEB C[C@@H](OC[C@@H]1CCCO1)/C(O)=N/S(=O)(=O)c1c(Cl)cccc1Cl 69283909 HLABNNOUSJALQF-ZJUUUORDSA-N 382.265 3.223 30 40 GGEB COc1cc(Br)c(S(=O)(=O)N[C@@](C)(C#N)C(C)C)cc1Cl 89791182 BKCUHBSLTXSINI-ZDUSSCGKSA-N 395.706 3.328 30 40 GGEB C=CCN(c1cc(C(=O)OC)ccc1C)S(=O)(=O)c1ccc(OC)cc1 224861958 WKCWKCKAMYZGJF-UHFFFAOYSA-N 375.446 3.172 30 40 GGEB COc1ccc(N=C2S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2C)cc1 254843677 ITGLXYVOQWXAGU-DPFLMNNXSA-N 399.472 3.359 30 40 GGEB N#Cc1ccccc1Sc1ccccc1C(=O)NCCCN1CCCC1=O 32645279 HHSHJCWAXGJIGR-UHFFFAOYSA-N 379.485 3.452 30 40 GGEB Cc1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)o2)c([N+](=O)[O-])c1 105540972 BORXGJMPZUXARR-OPSHBLBPSA-N 391.383 3.304 30 40 GGEB C=CCN(C(=O)c1ccccn1)[C@@H](C(=O)NCc1ccccc1)c1cccnc1 4856548 AOHQQLVMXMWQRO-OAQYLSRUSA-N 386.455 3.163 30 40 GGEB COc1cc([C@@H]2NC(=O)N(N)C(C)=C2C(C)=O)ccc1OCc1ccccc1 6202351 TUUCDVHIUKOEOQ-FQEVSTJZSA-N 381.432 3.077 30 40 GGEB CN(CC(=O)Nc1ccc(Cl)cc1)CC(=O)Nc1cc(Cl)ccc1C#N 58132835 QRCNADYEMNSBRW-UHFFFAOYSA-N 391.258 3.374 30 40 GGEB Cc1c(NC2=C(Cl)C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C 2318307 YLKJPWAOESCFBA-UHFFFAOYSA-N 393.830 3.426 30 40 GGEB N#CCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2355582 IWAXQMUCRXVECD-GZTJUZNOSA-N 388.358 3.175 30 40 GGEB CCOc1ccc2c(c1)O/C(=C\c1ccc(OS(C)(=O)=O)c(OC)c1)C2=O 4478780 FTWKRZSIVPPNAS-ZDLGFXPLSA-N 390.413 3.049 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccco1 5799438 BTVUGMWHUMILQE-LFVOPCPISA-N 382.460 3.352 30 40 GGEB C=CCN(CC(=O)N1CC(=O)Nc2ccccc21)Cc1ccc(Cl)s1 8163253 SHCAFYFQAMDWSD-UHFFFAOYSA-N 375.881 3.375 30 40 GGEB CC[C@@H](C)Oc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1[N+](=O)[O-] 409358612 MHRYFJKIDKLKKC-GFCCVEGCSA-N 382.376 3.070 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(Cl)c1 32634182 AGQNNWBIJPGTAK-HJUNTIBCSA-N 386.926 3.132 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(C)c(C)c1 32508257 OHKUZZUEQVOIOI-SVQNHAPJSA-N 380.535 3.095 30 40 GGEB C/C(=N\NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1cccs1 1462284 YAVYGXDWZVJOPG-UDWIEESQSA-N 385.518 3.257 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)cc1 12899012 OBHNTOKIDBLAOK-UHFFFAOYSA-N 390.487 3.455 30 40 GGEB Cc1cc(N(CCC#N)CCC#N)ccc1/C=C1/N=C(c2ccccc2)N(N)C1=O 1626597 ZRVUJGRCXDPKOE-LTGZKZEYSA-N 398.470 3.132 30 40 GGEB CCNNC(=S)N[C@@H](/N=C(\OC)c1ccc(C)cc1)C(Cl)(Cl)Cl 103529273 RSLLMCIISUWHAH-ZDFPAGSVSA-N 397.759 3.073 30 40 GGEB C=CCNC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1Cl 3401661 ADQPPASUPTUOOT-UHFFFAOYSA-N 390.892 3.397 30 40 GGEB Brc1cc2c(cc1/C=N/Nc1nncc(-c3ccccc3)n1)OCO2 4476786 GGWYAEOGHOINTE-UFWORHAWSA-N 398.220 3.476 30 40 GGEB CN(C)c1ccc([C@H]2O[C@@]34CCCC[C@H]3[C@@](C#N)(C(=N)O4)C2(C#N)C#N)cc1 254797038 CZWALWSGPQPRHA-KJNZLNQQSA-N 375.432 3.261 30 40 GGEB CN1C/C(=C\c2ccccc2[N+](=O)[O-])C(=O)/C(=C/c2ccccc2[N+](=O)[O-])C1 31860733 BHUSMMHAJOOVIE-OTYYAQKOSA-N 379.372 3.485 30 40 GGEB COC(=O)C(=O)/C(=N/Nc1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1 3188451 GETRTRNIKZDQPN-KGENOOAVSA-N 379.199 3.386 30 40 GGEB CN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)S/C1=N\c1cccc(O)c1 16937158 ZRFVZIMPXUCAOU-HFCQHAABSA-N 384.413 3.089 30 40 GGEB COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)nc2c(C#N)cnn2c1C 40082224 SVRCKIZMNNYTEC-UHFFFAOYSA-N 389.459 3.138 30 40 GGEB N#C[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20443869 LXEWNQWGJYWELY-XWSJACJDSA-N 375.815 3.379 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)C(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 100937068 AEAODYJICOXTLQ-YTLYVFJMSA-N 394.562 3.287 30 40 GGEB CN1/C(=C/C(=O)COC(=O)COc2ccccc2C=O)C(C)(C)c2ccccc21 102356669 JREUKROWEOJGEV-CIAFOILYSA-N 393.439 3.302 30 40 GGEB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C)C(=O)Nc2ccccc2C#N)c(C)c1 13041428 ATGXORLBHUQKKB-KRWDZBQOSA-N 378.476 3.381 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C#N 7672301 AZNJVUZVWMTMPG-AWEZNQCLSA-N 388.383 3.306 30 40 GGEB COc1cc(/C=C/c2nc(C#N)c(N3C[C@H](C)O[C@H](C)C3)o2)cc(OC)c1OC 16768447 RJRVVFUHHWBYJG-RNBGUABESA-N 399.447 3.356 30 40 GGEB O=C(O)c1cccc(-n2cccc2/C=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 409084128 BKJNGVLVXYNNMW-YBFXNURJSA-N 395.331 3.438 30 40 GGEB N#Cc1ccccc1COc1ccc(C=Nn2c(O)nc3ccccc3c2=O)cc1 409353073 YGUKVYVAKOYYGD-UHFFFAOYSA-N 396.406 3.435 30 40 GGEB CS(=O)(=O)N[C@@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1 225948880 SABHZRFQWAQENG-KRWDZBQOSA-N 391.880 3.025 30 40 GGEB CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2C)cc1 18044784 RYXXZUJMTKSGNF-LJQANCHMSA-N 397.427 3.311 30 40 GGEB CCNC(=S)N/N=C/c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 6350260 DRWJBUGHMXRHGH-FSJBWODESA-N 393.516 3.406 30 40 GGEB Cc1csc([C@H](C#N)C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1 41520166 RYXCTPCUMDQCQM-MRXNPFEDSA-N 389.502 3.116 30 40 GGEB CCOc1ccc(Br)cc1S(=O)(=O)/N=C1/CCCCCN1 3227720 LDZGOFQKZNKELE-UHFFFAOYSA-N 375.288 3.099 30 40 GGEB C=CCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409134861 PUTZZQZKHFAQDZ-LDADJPATSA-N 379.372 3.253 30 40 GGEB CCCS(=O)(=O)c1nnc(/N=C(\O)COc2ccc(Cl)cc2)s1 8738544 IECVTLRRIZGXTL-UHFFFAOYSA-N 375.859 3.042 30 40 GGEB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1 553239628 FZYIJGLNEZBKNW-MDNKFWRPSA-N 385.508 3.410 30 40 GGEB N#Cc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(F)c1 408626854 IXIRWGYSGKBRPN-UHFFFAOYSA-N 388.786 3.221 30 40 GGEB COc1ccc(S(=O)(=O)CCC(=O)Nc2sc(C)c(C)c2C#N)cc1 10219535 DFTIYEZBOACDIY-UHFFFAOYSA-N 378.475 3.048 30 40 GGEB C#C[C@@](C)(CC)OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 12421440 JQDDMPJAZVZFEI-MOPGFXCFSA-N 384.442 3.007 30 40 GGEB COc1ccccc1/C(C[C@@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O 20111901 VOGKNSFTQMDYRZ-GRVPHDJPSA-N 384.432 3.230 30 40 GGEB biogenic COc1cc(OC)c([C@H]2CC(=O)OC3=C2C(=O)c2ccccc2C3=O)cc1OC 20762493 GKCNNNATZCTQPY-CQSZACIVSA-N 394.379 3.076 30 40 GGEB biogenic O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccccc2F)/C1=C(\O)c1ccccc1 102934762 JSFYRPVCRIOLJS-SQMUXHPUSA-N 381.403 3.426 30 40 GGEB CC(=O)N1CCC(C(=O)OCCOc2ccc(C#N)cc2)(c2ccccc2)CC1 35828351 YVOPPEROBVLGAV-UHFFFAOYSA-N 392.455 3.061 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc([C@@H](C#N)C(=O)c2ccc(C)c(C)c2)nc1 58157921 XJXVDRUDHLVFDV-GOSISDBHSA-N 385.489 3.219 30 40 GGEB C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2248680 QXRRKLDPNNXZES-UHFFFAOYSA-N 383.411 3.478 30 40 GGEB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1 10338148 XGHOSWUOTBGHPL-INIZCTEOSA-N 385.489 3.163 30 40 GGEB Cc1nc2c[n+](CC(=O)c3ccc(Cl)cc3)cc(Br)c2n1C 13512072 DEOOKZUMZBCTJM-UHFFFAOYSA-N 379.665 3.468 30 40 GGEB CCCCCCC(=O)N(O)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O 4313098 CHDRVAGMAVGMPD-CQSZACIVSA-N 397.269 3.269 30 40 GGEB C#CCN(C(=O)NC[C@H](c1cccs1)N1CCOCC1)C1CCCCC1 68565075 PNBNNXFLXFXOAJ-GOSISDBHSA-N 375.538 3.099 30 40 GGEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CSCC3=O)c2C#N)C1 70733936 VUAJWVSDXUZIBT-LLVKDONJSA-N 377.535 3.242 30 40 GGEB Cc1ccc(S(=O)(=O)n2cc([C@H](C#N)N3CCOCC3)c3ccccc32)cc1 35588027 BJEWVNVBWARRHG-NRFANRHFSA-N 395.484 3.084 30 40 GGEB CC(C)(C)c1nnc(N/N=C/c2ccc(OCc3ccccc3)cc2)[nH]c1=O 4136563 MVTBZJJWECNJCV-LPYMAVHISA-N 377.448 3.487 30 40 GGEB CCOc1ccc(CN2C(=O)CS/C2=N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 1837579 PUODOJOAJNIYBC-UCLIPEMJSA-N 398.444 3.459 30 40 GGEB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)/N=C3/CCCN3C)cc2)s1 104308394 UQGNCRWDSUFOQT-MNDPQUGUSA-N 377.491 3.122 30 40 GGEB O=C(CCC1CCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1 5271096 KYSRLDWLRLKZNG-CMQBPOAVSA-N 392.546 3.258 30 40 GGEB C=CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nc2ccccc21 5619126 IYAHKJMYOUQKEX-UHFFFAOYSA-N 398.463 3.208 30 40 GGEB C=CCNc1nc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cs1 10071782 RPAMMNXXJPTYQB-UHFFFAOYSA-N 396.812 3.098 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cc(C)cc(C)c1 12753897 GZBDSOCEWNDXJR-QHCPKHFHSA-N 389.455 3.407 30 40 GGEB Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(CCC#N)CC(C)C 58137055 GSQHOKPEQXHKKG-UHFFFAOYSA-N 396.417 3.091 30 40 GGEB Cc1ccc(S(=O)(=O)OC[C@@H]2CCN(C(=O)OCc3ccccc3)C2)cc1 79436651 DDLVDGGKOSCIHY-GOSISDBHSA-N 389.473 3.359 30 40 GGEB COc1ccc(/C(Cl)=C(\C=N\N)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 96336796 PJLLBMVMTPHHEE-DLCJZXKTSA-N 381.779 3.398 30 40 GGEB O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(-c3ccccc3[N+](=O)[O-])o1)[C@H]1C=C[C@H]2CC1 100184069 RZUWRAFWFCFTQI-PXFFWOTISA-N 391.383 3.386 30 40 GGEB CC(C)(CC(=O)NCc1ccc2c(c1)OCO2)CC(=O)Nc1ccc(C#N)cc1 199419000 WEVHCMAIDYIQFM-UHFFFAOYSA-N 393.443 3.348 30 40 GGEB CCc1nnc(S)n1/N=C/c1ccc(OCC(=O)Nc2ccccc2)cc1 408876868 QUKVFUHPVRAQIC-UDWIEESQSA-N 381.461 3.029 30 40 GGEB C[C@@H](c1ccccc1)N1C[C@]2(COCCN(Cc3ccc(C#N)cc3)C2)CC1=O 585104787 TWBLZXWLWKVNCN-CYFREDJKSA-N 389.499 3.370 30 40 GGEB C=CCO[C@@H]1CC2(CCN(C(=O)Cc3ccn(C)n3)CC2)c2cc(C)ccc21 585105647 UXPCTWUOFQHOSS-OAQYLSRUSA-N 379.504 3.479 30 40 GGEB CC1(C)OB(c2cccc3cccc(B4OC(C)(C)C(C)(C)O4)c23)OC1(C)C 2362801395 CLYDVNIERSRCBP-UHFFFAOYSA-N 380.102 3.438 30 40 GGEB O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)Oc2cc(OC(=O)N3CCOCC3)ccc21 1879573 HBURKPNORUAFMN-WQRHYEAKSA-N 396.355 3.042 30 40 GGEB COc1ccc(Cl)cc1C/C(O)=N/S(=O)(=O)Cc1ccc(Cl)nc1 58151387 BRWSBHQOIUDQFH-UHFFFAOYSA-N 389.260 3.426 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2cc(C)ccc2C)[C@H]1c1cccnc1 4537387 BDIVJQCMGYFGNN-LJQANCHMSA-N 380.444 3.313 30 40 GGEB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccccc1F)c1nc(C#N)c(C#N)nc12 4727515 SNRYUDSNEJQOQQ-RTWAWAEBSA-N 375.407 3.327 30 40 GGEB C=CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCO)c1 16753738 MOGDHRKQHRJEKU-FQEVSTJZSA-N 391.423 3.204 30 40 GGEB N#Cc1ccc(NC(=O)/C(=C\c2ccco2)n2nnnc2-c2ccccc2)cc1 96820622 GYUJQLAVPPZTER-CPNJWEJPSA-N 382.383 3.442 30 40 GGEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCC(=O)O)cc2)C1=O 409161993 YFCRVLDCEABRKF-RQZCQDPDSA-N 394.408 3.258 30 40 GGEB C=CCN1c2cccnc2-n2cccc2[C@]12CCN(C(=O)c1scnc1C)C2 585106978 MOXHYFLKFMLTKK-OAQYLSRUSA-N 391.500 3.385 30 40 GGEB CN(Cc1ccc(C#N)cc1)C(=O)c1ccccc1I 32615174 RLHHFLCQJQJREO-UHFFFAOYSA-N 376.197 3.435 30 40 GGEB COc1cccc(/C=C2\Oc3c(CN4CCN(C)CC4)c(O)cc(C)c3C2=O)c1 20573542 PKNRLZAVRGSPNB-MOSHPQCFSA-N 394.471 3.073 30 40 GGEB CCOc1ccc(N2C(=O)C[C@H](Sc3nc(C)cc(C)c3C#N)C2=O)cc1 100587633 OHRYIVLVDUOWTP-KRWDZBQOSA-N 381.457 3.393 30 40 GGEB COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cc(OC)ccc1OC 676013 WDPKWELJQRXXBC-IBGZPJMESA-N 385.460 3.481 30 40 GGEB N#Cc1ccc(CN2CCCN(C(=O)COc3ccc(Cl)cc3)CC2)cc1 53662908 ZZCQDJORFBGBGV-UHFFFAOYSA-N 383.879 3.325 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N[C@@H]2c2ccc(O)c(OCC)c2)cc1 6196243 QHDJPVDJBJMTKS-GOSISDBHSA-N 383.400 3.056 30 40 GGEB O=C1C(=O)N(c2nncs2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102799905 LWSRPJLLMVLTNA-IDTYTIONSA-N 381.388 3.304 30 40 GGEB COc1ccccc1C/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(C)cc2)S1 13071655 CFYRKIMZQKPVDG-QGZVFWFLSA-N 383.473 3.120 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccccc1 5488720 SNROMZNIKATNNH-NHFXJNLRSA-N 378.472 3.450 30 40 GGEB O=C1NC(=O)N(c2ccccc2F)C(=O)[C@@H]1C=Nc1cccc(C(F)(F)F)c1 408535787 OVNDRSNAGPOVOH-GFCCVEGCSA-N 393.296 3.446 30 40 GGEB C=CCNC(=O)c1ccc(CN(CC=C)S(=O)(=O)c2ccc(C)cc2)cc1 224475625 HXBITDNWBLILDJ-UHFFFAOYSA-N 384.501 3.288 30 40 GGEB Cc1ccc(/C=N/N2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)cc1Br 1529454280 UPROOTRZZWRIRW-VCEFZKFSSA-N 385.261 3.145 30 40 GGEB CCCc1cc(=O)[nH]c(SCC(=O)N(CCC#N)c2cc(C)cc(C)c2)n1 11443293 CVPIJVGARKWZMI-UHFFFAOYSA-N 384.505 3.378 30 40 GGEB CCc1ccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(OCC(=O)O)cc2)cc1 4576392 VNVZDYBUFJQZKU-HXUWFJFHSA-N 395.411 3.201 30 40 GGEB COc1cc(/C=C/C(=O)[C@H]2C(=O)C=C(C)OC2=O)cc(Cl)c1OC(F)F 32641953 INRUBLBTYKNKIM-XGACYXMMSA-N 386.734 3.178 30 40 GGEB C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@@H](CNCCc3ccc(F)cc3)C(=O)O[C@@H]1C2 4028684 MMPZDIHKVXWPMI-NGJIECEZSA-N 387.495 3.485 30 40 GGEB biogenic CN(C)c1ccc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)cc1 9505011 CNKJRDKGPQLBLN-VBKZILBWSA-N 375.432 3.353 30 40 GGEB C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N([C@@H](C)C(=O)OC)C1=O 409103580 DKTLGFPNSVZHQK-HTMJNSLASA-N 395.436 3.450 30 40 GGEB C=CCOc1ccc(N(CC)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 224845558 ZJPKWGINSMPWBW-UHFFFAOYSA-N 375.446 3.238 30 40 GGEB C[C@H](C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1)S(C)(=O)=O 56037031 JHCKUCWGYBBIAZ-LLVKDONJSA-N 378.837 3.376 30 40 GGEB NC(N)=Nc1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 19293567 WRGVGRZNYMRBSV-UHFFFAOYSA-N 395.463 3.447 30 40 GGEB C/N=C1/S/C(=C\c2ccccc2OCC(=O)Nc2ccccc2)C(=O)N1C 4679414 XAPVZFQYNJUZNT-WIQPNEMMSA-N 381.457 3.236 30 40 GGEB CCCOC(=O)CCC(=O)NC(=S)Nc1sc2c(c1C#N)CCCC2 7262435 HJDVYEACJLXNFL-UHFFFAOYSA-N 379.507 3.045 30 40 GGEB N#Cc1ccc(NC(=O)COc2ncnc3ccc(Br)cc23)cc1 7814156 CVKLVMXJEUXEHZ-UHFFFAOYSA-N 383.205 3.281 30 40 GGEB CC(C)CCNC(=O)CSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N 12740567 XELBCFJZOSPQMW-UHFFFAOYSA-N 397.504 3.042 30 40 GGEB COc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)cc1 33807114 HBCBESGIZJPHKH-ZSAINHDTSA-N 398.440 3.439 30 40 GGEB C[C@@H](SCc1ccccc1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 48248847 VSPRENODDABULI-OAHLLOKOSA-N 396.516 3.394 30 40 GGEB N#Cc1ccc(CN2CCN(C(=O)CCCOc3ccccc3F)CC2)cc1 48366319 JHXQAKORRUIMRZ-UHFFFAOYSA-N 381.451 3.201 30 40 GGEB C[C@]1(c2cccc(C#N)c2)NC(=O)N(Cc2csc(-c3ccco3)n2)C1=O 58224060 CQMQFFOOBWXSFL-LJQANCHMSA-N 378.413 3.242 30 40 GGEB Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1 59417712 KPRBRQWVZANZNR-DEDYPNTBSA-N 384.413 3.120 30 40 GGEB CS[C@@H]1C(C(=O)c2ccccc2Cl)=C(CC(=O)O)C(=O)N1CC(C)C 62716449 MGGJKVRMDMJVQA-GOSISDBHSA-N 381.881 3.481 30 40 GGEB N#Cc1ccc(Cl)cc1NC(=O)COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102773445 HTFUDKJRLFSCDR-CJKMCJCZSA-N 388.851 3.025 30 40 GGEB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C(=O)C[C@@]2(C)[C@H]3C[C@@H]3O[C@@]32C(C)=O)C1 118936638 IKTIOUOCDGDFJO-AJBXWVIFSA-N 388.504 3.476 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)NC1=S 408902542 JLDWXCHZTMAJNO-LDADJPATSA-N 396.443 3.217 30 40 GGEB CCCC(=O)NC1=C(C(=O)OCC)C(=O)/C(=C/c2ccc(O)c(Cl)c2)S1 409082312 SELQLHWHYMEQTR-LCYFTJDESA-N 395.864 3.393 30 40 GGEB Cc1ccc(/C=N/N(C)c2nc(N3CCCCC3)nc(N3CCCCC3)n2)o1 4655993 JRGDSLHPYVEBSD-RCCKNPSSSA-N 383.500 3.224 30 40 GGEB Cc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c1C#N 9593379 BIKBKGSSTBQYKD-OAHLLOKOSA-N 385.489 3.127 30 40 GGEB O=C(O/N=C\c1ccc(Br)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 19798707 KJQPOIXREMMRFF-PXNMLYILSA-N 394.137 3.456 30 40 GGEB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(Cc2ccc(C#N)cc2)CC1 24825620 TZCWGAKSJXWOPS-HXUWFJFHSA-N 383.879 3.244 30 40 GGEB CSc1nnc(C)n1N/C(S)=N/C(=O)C(c1ccccc1)c1ccccc1 33704371 UNRREMOWQNIYOB-UHFFFAOYSA-N 397.529 3.496 30 40 GGEB C=CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1 222849402 WDJBLLVYJWQDNN-MRXNPFEDSA-N 386.879 3.438 30 40 GGEB COc1cccc(N2C(=O)NC(=O)[C@H](C=Nc3cccc4ccccc34)C2=O)c1 408536095 PRCCIJWRLCXRAA-SFHVURJKSA-N 387.395 3.450 30 40 GGEB N#Cc1ccc(N2CCC(C(=O)N[C@@H](C3CCC3)[C@H]3CCCO3)CC2)c(F)c1 601878355 XDIBUBNABSTCNG-RTWAWAEBSA-N 385.483 3.378 30 40 GGEB C=CCn1c(SCc2nnc(CC)o2)nnc1[C@H]1COc2ccccc2O1 29788578 KYCRYTSDZKRXBQ-CQSZACIVSA-N 385.449 3.214 30 40 GGEB O=S(=O)(/N=C(O)/C=C/C1=Cc2cc(Cl)ccc2OC1)c1cccnc1 48532307 VRUDUARNFQYDEZ-ZZXKWVIFSA-N 376.821 3.412 30 40 GGEB COc1ccc(CSc2nnc(SCC(=O)N(C)CCC#N)s2)cc1 5211320 QOSIUJFUTYZMRN-UHFFFAOYSA-N 394.547 3.303 30 40 GGEB Cc1ccccc1/N=C1\SCCN1C(=O)c1nn(C)c(=O)c2ccccc12 6334525 KRBRVOLHVBLDPK-MRCUWXFGSA-N 378.457 3.119 30 40 GGEB C/C(=N\N=C1/NC(=O)[C@@H](Cc2cccc(C)c2)S1)c1cccc([N+](=O)[O-])c1 4712961 WTZCZIIOLNIQSW-VYVDHXHBSA-N 382.445 3.458 30 40 GGEB Cc1csc([C@H](C#N)C(=O)CSc2nnc(Cc3csc(C)n3)o2)n1 7836752 QIOZLHBAAPXBRG-LLVKDONJSA-N 391.503 3.159 30 40 GGEB C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)c1 409352252 XIPCGNKBQVMQNL-MHWRWJLKSA-N 375.446 3.487 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccccc2OCC(=O)N2CCCC2)SC1=S 96663130 IKKIYPJNDUWRDT-VBKFSLOCSA-N 388.514 3.075 30 40 GGEB N#Cc1c(NC(=O)c2ccc3c(c2)C(=O)N(C2CC2)C3=O)sc2c1CCC2 66014589 VLSVQOXQWXRPPR-UHFFFAOYSA-N 377.425 3.119 30 40 GGEB COc1ccccc1/C=C1\Oc2cc(OC(=O)N3CCOCC3)ccc2C1=O 12637027 OROWYZNOWAVTGG-UNOMPAQXSA-N 381.384 3.142 30 40 GGEB O/N=C1/CC[C@H]2C[C@]3(Cc4ccccc4)C[C@H]1[C@]2(N1CCOCC1)C/C3=N\O 104183811 QNEAMANBFQKGEZ-FMJQBOEISA-N 383.492 3.171 30 40 GGEB N#Cc1cccc(NCC(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c1 12607373 HFNGXMXBRYXBJE-UHFFFAOYSA-N 386.337 3.208 30 40 GGEB C[C@@H](OC(=O)c1cc(Br)ccc1O)C(=O)NC1(C#N)CCCCC1 6643718 KGOLJXIOSFJCAL-LLVKDONJSA-N 395.253 3.043 30 40 GGEB Cc1ccc2c(c1)N(CC(=O)Nc1sc3c(c1C#N)CCCC3)C(=O)CO2 19989309 VWMRRZLJOQRANJ-UHFFFAOYSA-N 381.457 3.171 30 40 GGEB Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(Cl)c(C(=O)O)c2)cc1 8345673 ODUGTZKFWHLPGP-UHFFFAOYSA-N 378.837 3.456 30 40 GGEB Cc1nn(-c2ccccc2)c(Cn2nnc(-c3ccc(Cl)cc3)n2)c1C#N 19144434 CURCSUNQERDFHL-UHFFFAOYSA-N 375.823 3.408 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCCNC(=O)c1cccs1)OCO3 35311921 HGDZASDWDZGJDA-UHFFFAOYSA-N 380.429 3.129 30 40 GGEB C=CCOc1c(Br)cc(C(=S)N2CCOCC2)cc1OCC 33752709 BZRCCJNVLJNMCH-UHFFFAOYSA-N 386.311 3.420 30 40 GGEB O=c1c2ccccc2nc(SC/C(O)=N/c2ncn[nH]2)n1Cc1cccs1 33175313 HVLLHBAHSMGODO-UHFFFAOYSA-N 398.473 3.005 30 40 GGEB N#Cc1ccccc1-c1ccc(/C=N/N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)o1 226055778 NDWSIEKUAPQMGA-YPEVVPDNSA-N 383.407 3.205 30 40 GGEB COc1cccc(/N=C2\S[C@H](C(=O)Nc3ccccc3F)CC(=O)N2C)c1 97759512 WGWDBMPSDCGWMQ-XOMICKMZSA-N 387.436 3.424 30 40 GGEB COc1ccc(/C=N\n2c(S)nnc2-c2ccc(C)cc2)c(OC)c1OC 6032860 FRWRCTOPUYTXCB-JAIQZWGSSA-N 384.461 3.450 30 40 GGEB C=CCn1c(COc2ccccc2F)nnc1Sc1cc(C)nc2ncnn12 24835429 FFVIPTVQMBWEHO-UHFFFAOYSA-N 397.439 3.080 30 40 GGEB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H](C(=O)CO)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 118924648 XRXDCBIIKLNRSQ-VXLUZUAESA-N 388.504 3.238 30 40 GGEB N#Cc1c(F)cccc1NCCNC(=O)c1cc(F)ccc1Br 47332469 JFRDZCFTXWJSMR-UHFFFAOYSA-N 380.192 3.441 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCC(=O)O)[C@@H]2c2ccc(F)cc2)cc1 102873485 ZBGYKPOXXSKRKH-LFVOPCPISA-N 397.402 3.421 30 40 GGEB O=[N+]([O-])c1ccc(N/N=C/c2cc(Br)c(N3CCCC3)o2)nc1 59248750 CMRPHCHYGGZEEY-RQZCQDPDSA-N 380.202 3.392 30 40 GGEB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/[C@H]2CCS(=O)(=O)C2)cc1 4871934 SVBCBCVIHQORQP-MEGCXXLRSA-N 379.485 3.454 30 40 GGEB COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccccc2)C3)cc(OC)c1O 4987416 AVKZXMJBVOUXAF-ZBFHGGJFSA-N 393.439 3.414 30 40 GGEB CC[C@H](C)Oc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409353799 RSDLVGICSBUSOC-LBPRGKRZSA-N 382.376 3.070 30 40 GGEB COc1cccc(C(C[C@@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=NO)c1 252679225 JRQDNYRAOVPLFL-QGZVFWFLSA-N 384.432 3.230 30 40 GGEB biogenic N#CCCNc1nccc(-c2cn(CC(F)F)nc2-c2cnc3[nH]ccc3c2)n1 95616572 HFYMVDKBZONUOJ-UHFFFAOYSA-N 394.389 3.474 30 40 GGEB in-vitro COc1ccc(C)cc1NC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N 14250699 XSDJRJCGPYJDPE-UHFFFAOYSA-N 397.378 3.313 30 40 GGEB CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(C)cc1 20028991 WXSWVWBOGLUHQR-BOFPYLFWSA-N 397.471 3.171 30 40 GGEB COc1ccc2c(c1)OC[C@@H](/C(O)=N/S(=O)(=O)c1ccc(Cl)s1)C2 50204644 KXPZVWXOQNVIFJ-JTQLQIEISA-N 387.866 3.307 30 40 GGEB C/C(=N/c1ccc(F)cc1)N(C)CCNS(=O)(=O)c1ccc(Cl)cc1 100471005 OMAGXKHTVIIRLA-BKUYFWCQSA-N 383.876 3.439 30 40 GGEB CC1(C)CC(=O)C2=C(C1)Nc1nc(N)nn1[C@@H]2c1ccccc1Br 18200681 UBRHBOPMSHVRJL-CQSZACIVSA-N 388.269 3.281 30 40 GGEB COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cc(F)c(F)cc1Cl 33740654 QADOJQCAVMILNN-HCGXMYGOSA-N 392.749 3.320 30 40 GGEB N#C[C@@]1(C(=O)O)[C@@H](S(=O)(=O)c2ccc(Cl)cc2)[C@@H]1c1cccc(F)c1 218546883 FRORVPDHKOKWRN-ZOBUZTSGSA-N 379.796 3.013 30 40 GGEB COCCOC(=O)C1=C(C)N[C@@H]2CC=CC(=O)[C@@H]2[C@H]1c1ccc(Cl)cc1 575083826 KAYIYGGHVUSONB-AYOQOUSVSA-N 375.852 3.004 30 40 GGEB CC1=C2[C@H]3OC(=O)[C@H](CN4CCc5ccccc5C4)[C@@H]3CC[C@@]2(C)C=CC1=O 12658062 MDMLHUFQOLDZMS-SZGVKKGVSA-N 377.484 3.458 30 40 GGEB biogenic O=C(C[C@@H]1S/C(=N\N=C\c2ccco2)NC1=O)c1ccc2c(c1)CCCC2 16754166 ACVOJCDZLNHLEV-IUOVYFEOSA-N 381.457 3.353 30 40 GGEB C#CCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cccc(OCC)c21 100910331 VMECIKGTEGJZLR-VXPUYCOJSA-N 381.413 3.384 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2cccs2)[C@H]1c1ccc(F)cc1 102878560 GEEJPZFRBDQJDH-IBOXJLQUSA-N 375.421 3.345 30 40 GGEB N#CC1(NC(=O)COC(=O)Cc2coc3cc4c(cc23)CCC4)CCCCC1 22127428 IFDHYHDKVAZVOY-UHFFFAOYSA-N 380.444 3.350 30 40 GGEB COc1ccc(C2=C/C(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)O2)cc1 12372083 ANJUPQANCJEFAO-NKFKGCMQSA-N 389.411 3.163 30 40 GGEB C=CCOc1ccc(/C=C/C(=O)OCC(=O)NC(=O)Nc2ccccc2F)cc1 5079524 FIBNEGAOUUIUQK-FMIVXFBMSA-N 398.390 3.295 30 40 GGEB CCN(CC)S(=O)(=O)c1ccc(N/N=C(\C)c2ccco2)c([N+](=O)[O-])c1 5163372 PAFPHZJZLBVYPU-SFQUDFHCSA-N 380.426 3.054 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)o1 5595833 ACSOKSJGMJKMLW-SELCWUDQSA-N 386.423 3.101 30 40 GGEB N#Cc1cc2cc3c(cc2nc1NCCNC(=O)Nc1ccccc1F)OCO3 35292121 VWNTYDVHFCQHNB-UHFFFAOYSA-N 393.378 3.208 30 40 GGEB C=C[C@](C)(CC)C(=O)N1C[C@@H](N=c2cc(C)[nH]cc2C#N)[C@H](C(F)(F)F)C1 1615610628 DZKMEMPMZZZFIH-QGPMSJSTSA-N 380.414 3.087 30 40 GGEB O=C(O)COc1ccccc1/C=N/n1c(-c2ccccc2)nc2ccccc2c1=O 1531385591 WEZKLXRADQDTQQ-ZVHZXABRSA-N 399.406 3.409 30 40 GGEB C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1OC 6479408 TUUGUFSSEJKQLX-FOWTUZBSSA-N 392.411 3.235 30 40 GGEB CCC1(CC)Cc2ccccc2C2=C(C(=O)N3CCCCCC3)C(=O)C(=O)N21 2192436 UFTFIODRPBZDOO-UHFFFAOYSA-N 380.488 3.327 30 40 GGEB biogenic Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccccc1C#N 4392575 WCPCHEOODJMTJU-UHFFFAOYSA-N 390.468 3.288 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 13132497 MXWFGSIQMWMCSN-HXUWFJFHSA-N 394.471 3.367 30 40 GGEB CCSc1nc2n(n1)[C@@H](c1ccc(OC)cc1OC)C1=C(CCCC1=O)N2 4436227 DDJDXSIBVQWAGB-KRWDZBQOSA-N 386.477 3.429 30 40 GGEB N#CCC(=O)Nc1ccc(C(=O)OCC(=O)C23CC4CC(CC(C4)C2)C3)cc1 5812766 NVOPKCAKKSIEIH-UHFFFAOYSA-N 380.444 3.481 30 40 GGEB NC(=S)N/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 6221538 LMHJNXAJKAHOQR-UFWORHAWSA-N 382.258 3.334 30 40 GGEB Cc1ccc2nc(SCC(=O)Nc3nnc(SCC#N)s3)[nH]c2c1 22263766 AXJGQKNOHMICDV-UHFFFAOYSA-N 376.492 3.069 30 40 GGEB CN(CCC#N)c1ccc(CNCc2ccc(CN3CCOCC3)cc2)cc1 23718084 NLUHDIGMKURQKL-UHFFFAOYSA-N 378.520 3.158 30 40 GGEB CC(C)/N=c1\ccc(C#N)cn1C(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 32832344 JAGSLOWBAGWYLL-CVIUTVQRSA-N 382.851 3.016 30 40 GGEB Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccco3)[C@@H]2c2cccc([N+](=O)[O-])c2)no1 102802859 UBDAVIPVRZIDDQ-UYTDBDHRSA-N 395.327 3.111 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1/C=N\Cc1ccccc1 408537815 XJYLCVLMDKMRTO-FCBDRWCKSA-N 389.333 3.175 30 40 GGEB Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)c(C)c1 408961774 DXIBPURDBQUVDY-YVLHZVERSA-N 381.457 3.059 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\NC[C@@H](c1ccco1)N1CCCCCC1 1547200811 IBZLKXMNCNNJTR-UMADGWCESA-N 380.444 3.472 30 40 GGEB N#Cc1ccc(NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1Cl 12832456 PDYZKNVNIXWHEX-UHFFFAOYSA-N 375.837 3.004 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)Nc1ccc(C)cc1 8726762 ODEWLNTWTBUUHN-JOCHJYFZSA-N 375.428 3.099 30 40 GGEB N#C[C@@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@@H]21 8718024 IAQJVDOIAZPKIE-NQIIRXRSSA-N 392.463 3.289 30 40 GGEB CC(=O)C1=C(c2ccc(C)c(C)c2)N(C(C)=O)n2c(nnc2C(F)(F)F)S1 27028739 GPKIHKLVIHGVOV-UHFFFAOYSA-N 396.394 3.462 30 40 GGEB C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)nc3ccccn3c2=O)cc1 96115480 JUKOHEORAVHSDK-KRWDZBQOSA-N 394.427 3.050 30 40 GGEB biogenic N#Cc1ccnc(OC[C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)c1 1775971035 LYBXEVNZKFOPFS-HNNXBMFYSA-N 391.880 3.086 30 40 GGEB COC(=O)c1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CCC3)cc1 4135010 UCDPWAKJWMJKJJ-UHFFFAOYSA-N 385.470 3.022 30 40 GGEB COc1ccccc1/C=C1/Oc2c(CN3CCOCC3)c(O)cc(C)c2C1=O 37857512 VBWWMKZICGPRRM-XDHOZWIPSA-N 381.428 3.158 30 40 GGEB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 48264869 FSVZFWKJQMKJDO-PBHICJAKSA-N 393.509 3.015 30 40 GGEB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCC(=O)O)C1=O 4698804 VRHNWPDZQXMDGF-RQZCQDPDSA-N 394.408 3.258 30 40 GGEB Cc1sc2nc([C@@H](C)N3CCc4c(sc(N)c4C#N)C3)[nH]c(=O)c2c1C 89562895 YTVKNYAPPNKHRU-SECBINFHSA-N 385.518 3.236 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(Br)c(Br)o2)C1=O 408918176 HEYFJDFLDBAEQC-VMPITWQZSA-N 391.040 3.474 30 40 GGEB CN(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(C#N)cc1 12918857 ZBXUFTJTOXQWNT-UHFFFAOYSA-N 398.271 3.124 30 40 GGEB C=CCOC(=O)[C@@H]1[C@@H](c2ccc(C(C)(C)C)cc2)c2c(O)n[nH]c2C[C@]1(C)O 13566097 RXEFEKFVTCJSBE-ZJBJCVSYSA-N 384.476 3.197 30 40 GGEB COc1cc([N+](=O)[O-])cc(/C=N/n2cnnc2SCc2ccccc2)c1O 35441584 REJOKNRLAUEKJH-DJKKODMXSA-N 385.405 3.075 30 40 GGEB CCc1cc(NCCCc2n[nH]c(N)c2C#N)n2c(nc3ccccc32)c1C#N 15114447 SCHYJUXHYPQCSO-UHFFFAOYSA-N 384.447 3.143 30 40 GGEB CC(=O)/N=C1/NC(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)S1 9111394 UUWKHRONTNSFDH-SXGWCWSVSA-N 384.417 3.109 30 40 GGEB C=CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1 4161588 OTSKGZWPNIYGDV-UHFFFAOYSA-N 385.876 3.433 30 40 GGEB N#Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1 6680501 PJAVPDPPCKDHNF-UHFFFAOYSA-N 375.475 3.047 30 40 GGEB CCCCS[C@@H](C)C(=O)[C@@H](C#N)c1ccc(S(=O)(=O)N(CC)CC)cn1 58159230 WMNWRDXXFFVZTF-HOCLYGCPSA-N 397.566 3.210 30 40 GGEB COC(=O)C1=C(C)N(c2cccc([N+](=O)[O-])c2)C(=O)N[C@H]1c1cccc(C#N)c1 12786559 NJEVUXFQHFLUDZ-SFHVURJKSA-N 392.371 3.184 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 14086007 OMNWFACLKBUBGK-IBGZPJMESA-N 398.467 3.101 30 40 GGEB N#Cc1ccccc1COc1ccccc1C=Nn1c(O)nc2ccccc2c1=O 409356050 FEMWNLDODXUULK-UHFFFAOYSA-N 396.406 3.435 30 40 GGEB C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(C(F)(F)F)cc1 67870664 SQOCWKNXBUYSGR-JENIJYKNSA-N 395.469 3.263 30 40 GGEB biogenic,in-vitro C[C@@H](c1ccc(F)cc1F)N1CCN(c2nc3c(cc2C#N)COCC3)CC1 570277454 DLYHYBLHKZRJJA-AWEZNQCLSA-N 384.430 3.187 30 40 GGEB C=CCN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccc(OC)c(C)c1 224639927 SAFOZPKVTMXOJL-UHFFFAOYSA-N 377.462 3.402 30 40 GGEB CC(=O)c1cc(C#N)c(SCC(=O)Nc2ccc3c(c2)OCCCO3)nc1C 40161947 FNQCVJRCOOFXOD-UHFFFAOYSA-N 397.456 3.356 30 40 GGEB N#Cc1c(NC(=O)Cn2cnc3c(oc4ccccc43)c2=O)sc2c1CCC2 31744201 KSLLQCQYSNUPLK-UHFFFAOYSA-N 390.424 3.203 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)Sc1nnc(C2CC2)n1Cc1ccco1 22122529 WAUWQWPUORYZEW-ORAYPTAESA-N 387.509 3.332 30 40 GGEB O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccc(O)cc1O 1253250 IFFDBWDUTMIHRB-YDZHTSKRSA-N 387.395 3.269 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CC1 12761668 TZJCQLUFFQTYDV-ZUOKHONESA-N 384.505 3.266 30 40 GGEB N#Cc1ccc(N2CCCN(C(=O)N[C@H]3C[C@H]3c3cccc(F)c3)CC2)cc1 67564711 JFBNERKYYWPXAJ-SFTDATJTSA-N 378.451 3.475 30 40 GGEB C[C@@H](OC[C@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1=Cc2ccccc2CC1 71843999 DFXRYJQSKXOXPR-RHSMWYFYSA-N 379.478 3.234 30 40 GGEB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3n[nH]c(N)n3)c2C#N)C1 8557066 HLAYHTPECNCXFN-SECBINFHSA-N 390.538 3.202 30 40 GGEB Cc1nccn1CCNC(=O)C1(C)CCN(c2ccc(Cl)cc2C#N)CC1 557471300 NUSWTURALVTXFK-UHFFFAOYSA-N 385.899 3.140 30 40 GGEB C[C@H](Cc1ccccc1)NC(=O)CO/N=C/c1cc(Br)ccc1O 5696623 QEVIABANTNSQCU-AYPRBGQRSA-N 391.265 3.253 30 40 GGEB CCN(C[C@@H](C)C#N)C(=O)CN1CC=C(c2c[nH]c3ccc(OC)cc23)CC1 53075981 WVLNYAUTMUPRPO-INIZCTEOSA-N 380.492 3.274 30 40 GGEB CCOC(=O)[C@]1(C(N)=O)O[C@]1(c1ccc(Cl)cc1)c1ccccc1Cl 4921100 CBGRCWIFFWBLAC-MSOLQXFVSA-N 380.227 3.054 30 40 GGEB N#Cc1ccccc1C[C@@H](C#N)c1c(C#N)c(N)nc(N2CCCCC2)c1C#N 84502400 PXILFVRQIJKOLW-KRWDZBQOSA-N 381.443 3.119 30 40 GGEB N#Cc1cccc(CN2C[C@@H]3C[C@H](C2)c2c(-c4cccnc4)ccc(=O)n2C3)c1 20503458 XMHIBLXWEUYDBY-PZJWPPBQSA-N 382.467 3.401 30 40 GGEB biogenic,in-vitro COC(=O)c1cccc(C#Cc2cccc(NC(=O)N3CCSCC3)c2)c1 48340234 XKVZIRCTDRIVRP-UHFFFAOYSA-N 380.469 3.454 30 40 GGEB COc1cccc([C@@H]2C3=C(C[C@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5324899 RSKDRTRGLQSHKV-LHSJRXKWSA-N 388.427 3.408 30 40 GGEB C#CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc21 5804304 RBBQURQAOSNHJW-AQTBWJFISA-N 399.475 3.414 30 40 GGEB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1C#N)c1cccc2ccccc12 10333551 JLXQUFXPEZLGQT-OAQYLSRUSA-N 386.455 3.069 30 40 GGEB CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccccn1 19938506 WYKSGIVWAVWPTJ-FQEVSTJZSA-N 393.487 3.392 30 40 GGEB C[C@@H](OC(=O)C1(CC(=O)NC(C)(C)C)CCCC1)C(=O)Nc1ccccc1C#N 40010050 BNLOVQZFJRSXPJ-OAHLLOKOSA-N 399.491 3.294 30 40 GGEB CC/N=C1\S[C@H](CC(=O)Nc2sc3c(c2C#N)CCCC3)C(=O)N1CC 12377703 NSTJVSITILKBOT-ITZAQCPESA-N 390.534 3.167 30 40 GGEB CC[C@H](OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)Nc1ccc(F)cc1 12722071 AOZFRNBMSQUJMA-KRWDZBQOSA-N 383.379 3.252 30 40 GGEB COc1ccc(OC)c([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)c1 22608695 QBOOBJTXYCHZKV-YUNKPMOVSA-N 392.415 3.304 30 40 GGEB Cc1csc(NC(=O)CSc2nc(O)c(C#N)c(-c3ccccc3)n2)n1 7995200 AZWUGJWQSIZQIC-UHFFFAOYSA-N 383.458 3.217 30 40 GGEB COc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3C)CC2)c(OC)c1OC 25329651 FXRBQLRLVJRRNY-BUVRLJJBSA-N 397.519 3.481 30 40 GGEB N#Cc1c(CSc2nnc(Cc3ccccc3F)n2N)cn2ccccc12 11685350 WTLZULXOMNCNMK-UHFFFAOYSA-N 378.436 3.138 30 40 GGEB Cc1ccc(S(=O)(=O)C(/N=C(\Cl)N2CCOCC2)=C(Cl)Cl)cc1 2455526 KYGVTBHIXNOUSU-NBVRZTHBSA-N 397.711 3.300 30 40 GGEB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5O[C@@]54C(C)=O)[C@@H]3C[C@H]3O[C@@]32C1 118936531 WACCZLHLEKNLBI-WYBQPQOXSA-N 388.504 3.429 30 40 GGEB CCOC(=O)c1cc(C#N)c(S[C@@H](C)C(=O)N2CCCCCC2)nc1C 7302099 RZRVNIYCTFRJMO-AWEZNQCLSA-N 375.494 3.322 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1ccc(Cl)cc1 8728494 PZXXXWZLUIZRFV-DEDYPNTBSA-N 378.881 3.420 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3C)c2C)C(=O)NC1=S 408902606 KZJPGAPVCDEHKG-SFQUDFHCSA-N 379.485 3.215 30 40 GGEB C=CCN(Cc1cccs1)C(=O)c1cccc(S(=O)(=O)NC(C)C)c1 32845422 DSJRCVGZNGLSKB-UHFFFAOYSA-N 378.519 3.263 30 40 GGEB C#CCOC(=O)c1cc(N(C)C(=O)C(F)(F)F)ccc1N1CCCC[C@H]1C 226279050 PGBDHZGWIBXRDV-CYBMUJFWSA-N 382.382 3.381 30 40 GGEB CO[C@@H](Cn1c2c(cc(C#N)c1=O)CN(Cc1ccccc1)CC2)C1CCCC1 596315125 AWABPAGWEMUBGJ-QHCPKHFHSA-N 391.515 3.483 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccco1 96336108 ZBYYFGHGLJKIAK-CQSZACIVSA-N 397.368 3.427 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(O)c1)c1cccs1 6813530 ROFOTIQTFMZJAF-WMLDXEAASA-N 385.441 3.211 30 40 GGEB N#Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)N2CCCC2)cc1 40135001 RHJSBVSEPHHNAC-UHFFFAOYSA-N 389.864 3.248 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)cc1 102517225 ULCWNRJKMCGLNC-GHNGSUTGSA-N 384.501 3.430 30 40 GGEB CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)[C@@H]1c1ccncc1 102874430 DASMEHSQNFIYPA-NHFXJNLRSA-N 393.487 3.235 30 40 GGEB C=CCN(CCc1ccccc1)C(=O)[C@H]1CC(=O)N(c2ccc(OC)cc2)C1 60163639 XDROFMIIVPDDDC-IBGZPJMESA-N 378.472 3.305 30 40 GGEB COc1ccc([N+](=O)[O-])cc1N/N=C/CCCN1C(=O)c2ccccc2C1=O 4013284 KBTUGQBLHVSTPV-KEBDBYFISA-N 382.376 3.078 30 40 GGEB C=C(C)CN1C(=O)[C@](O)(CC(=O)c2ccc(OC)cc2OC)c2ccccc21 5425551 DGXCLXPQMBEYGM-QFIPXVFZSA-N 381.428 3.087 30 40 GGEB N#Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C[C@H]2C(F)(F)F)cc1 8748468 YFAMYSNKKXANIQ-INIZCTEOSA-N 389.333 3.243 30 40 GGEB C#CCN1C(=O)S/C(=C\c2cc(Br)c(O)c(OCC)c2)C1=O 15010946 ANLYVKGMFZKEJT-WQLSENKSSA-N 382.235 3.223 30 40 GGEB CCOC(=O)c1c(C)[nH]c(C(=O)NCCSCc2ccccc2C#N)c1C 18106974 RNHOGWQRLLXTCT-UHFFFAOYSA-N 385.489 3.343 30 40 GGEB N#CC1(C(=O)N2CCC3(CC2)CC(=O)N(Cc2cccc(F)c2)C3)CCCC1 2055795804 AQLZIMKYRJFJHO-UHFFFAOYSA-N 383.467 3.251 30 40 GGEB C[C@@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 103262559 SFTGISUATZSUJI-GFCCVEGCSA-N 388.265 3.037 30 40 GGEB CC(C)(C)NC(=O)CN1CCN(Cc2ccc(-c3ccccc3C#N)cc2)CC1 22915034 WTYUUHVETCPCOO-UHFFFAOYSA-N 390.531 3.258 30 40 GGEB CC(=O)Nc1cccc(-n2cnnc2SCCOc2ccccc2C#N)c1 58168265 DOQGOFKCYSJDCD-UHFFFAOYSA-N 379.445 3.268 30 40 GGEB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(C#N)cc1 3439995 YIWQQVPOSJUAJQ-UHFFFAOYSA-N 375.350 3.466 30 40 GGEB N#CCCN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)c1ccccc1 3600147 MHTAVPZOZQFOCC-UHFFFAOYSA-N 378.215 3.492 30 40 GGEB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\N2C(=O)CSC2=S)o1 409327290 IWXFNLVXGULFGV-APSNUPSMSA-N 377.403 3.058 30 40 GGEB CC[C@@H](C)C(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 36638754 OOTWNSREWGCKNL-POKOTFKHSA-N 394.562 3.458 30 40 GGEB COc1ccc2cc([C@H](C)/C(O)=N/S(=O)(=O)C3CCOCC3)ccc2c1 58183149 OMKQAKQJQKOPCE-ZDUSSCGKSA-N 377.462 3.417 30 40 GGEB C=CCn1/c(=N/C(=O)/C=C/c2ccccc2)sc2cc(S(C)(=O)=O)ccc21 100874463 CDIBOPZHYMDJKS-VCQIRNIVSA-N 398.509 3.433 30 40 GGEB N#Cc1cccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)c1 48988457 PLWRFAGHXPHCEY-UHFFFAOYSA-N 393.468 3.338 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NC[C@@H]3CCCN3CC)c(=O)oc2c1 13655663 VTPSCOFQFUMNLP-KRWDZBQOSA-N 398.503 3.199 30 40 GGEB COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(Br)o1)NCC2 5245309 DPOPUOHIODLANQ-XFXZXTDPSA-N 378.222 3.429 30 40 GGEB CC(C)c1ccc(N2/C(=N/C(=O)C(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 5321880 VVZYWGFNBGZDDS-YUMLTWSLSA-N 394.562 3.458 30 40 GGEB N#Cc1c(/C=C\c2ccc(F)cc2)c(C(=O)O)nn(-c2ccc(F)cc2)c1=O 409193170 DKMGIEJUNITMIR-KMKOMSMNSA-N 379.322 3.251 30 40 GGEB COc1cc(/C=N/NC(N)=S)ccc1OC(=O)c1cccc2ccccc12 408888682 YXCUNYYYRDBUSV-WSDLNYQXSA-N 379.441 3.235 30 40 GGEB N#Cc1ccc(O[C@H]2CCN(C(=O)NCC3(Cc4ccccc4)CC3)C2)nc1 575187223 CXVKVPIQMAUDKS-IBGZPJMESA-N 376.460 3.139 30 40 GGEB CCOC(=O)N1CCc2c(sc(NC(=O)c3ccccc3OC)c2C#N)C1 4280353 AKSSIZNIDYTYMF-UHFFFAOYSA-N 385.445 3.395 30 40 GGEB C=CCNC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N([C@H](C)c3ccccc3)C2)cc1 97699046 WZLAWYAXYNCFPX-APWZRJJASA-N 391.471 3.151 30 40 GGEB COc1ccccc1/C(C[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C)=N\O 20111899 VOGKNSFTQMDYRZ-AABCQZNVSA-N 384.432 3.230 30 40 GGEB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C#N)C(=O)c2ccc3cc[nH]c3c2)c1C 103613478 LAJIDSDDTPGCCR-HNNXBMFYSA-N 377.400 3.495 30 40 GGEB CCC(CC)COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCOCC1 2386114 JGIGZTAAWPLQIT-MRXNPFEDSA-N 382.464 3.053 30 40 GGEB C=CCN1C(=O)c2ccc(C(=O)Nc3ccnn3Cc3cccs3)cc2C1=O 8774646 QPUGQOXOAWWEOZ-UHFFFAOYSA-N 392.440 3.027 30 40 GGEB CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccco2)[C@H]1c1ccc(OC)cc1 8915063 GOPGFZACETVVNF-LFVOPCPISA-N 398.459 3.052 30 40 GGEB N=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)N[N+](=O)[O-] 408975210 JFGDRJTZAHSJSI-ODCIPOBUSA-N 388.790 3.122 30 40 GGEB O=C(Cn1cc(/C=N\c2cccc([N+](=O)[O-])c2)c2ccccc21)N1CCOCC1 408962097 PVKKHWYOWQKRQM-XKZIYDEJSA-N 392.415 3.159 30 40 GGEB C[C@H](N/N=C(\S)N1CCN(c2ccccn2)CC1)c1nccc2ccccc12 5550668 KLYOLLLMOLFUSQ-INIZCTEOSA-N 392.532 3.303 30 40 GGEB Cc1ccc(CNc2oc(-c3ccc(S(=O)(=O)N(C)C)cc3)nc2C#N)cc1 12421000 SOXYMOYQTHESCM-UHFFFAOYSA-N 396.472 3.384 30 40 GGEB Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccco2)cc1 104198425 SMYVVBWEYPDMIY-LFVOPCPISA-N 391.427 3.297 30 40 GGEB Cc1ccc(Cn2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3C#N)c2=O)cc1 4940387 PXGQWZNVJLLEMP-UHFFFAOYSA-N 388.383 3.237 30 40 GGEB COc1cccc([C@H]2C3=C(C[C@@H](c4ccccc4O)CC3=O)Nc3ncnn32)c1 5324908 RSKDRTRGLQSHKV-SZNDQCEHSA-N 388.427 3.408 30 40 GGEB CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(Cl)cc2)[C@@H]1c1cccnc1 5408687 NOKCCBRUNPESDG-GHNGSUTGSA-N 399.878 3.108 30 40 GGEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(=O)O)cc2)n2ncc(C#N)c2N1 8991894 VHYGMDJJVBEIIE-IBGZPJMESA-N 399.410 3.381 30 40 GGEB C/C(NCCNc1c(F)c(F)c(CO)c(F)c1F)=C1/C(=O)C[C@H]2[C@@H]1C2(C)C 16038015 GRAGAGPVWPFWNF-CJVMLZLKSA-N 386.389 3.256 30 40 GGEB C=CCN(C(=O)Cn1c(=O)n(CC)c2ccccc21)c1nc2c(s1)CCCC2 21973963 KYJNZFWMHWCKPW-UHFFFAOYSA-N 396.516 3.377 30 40 GGEB CN(Cc1cc(C#N)ccc1F)C(=O)COC(=O)c1cc(Cl)ccc1F 50592777 SXWRYQHWDQKWFK-UHFFFAOYSA-N 378.762 3.305 30 40 GGEB C#CCn1/c(=N/C(=O)c2c(OC)cccc2OC)sc2cccc(OC)c21 100910415 AJMQQOHPYAKHEY-MRCUWXFGSA-N 382.441 3.103 30 40 GGEB CCc1ccc2c(c1)/C(=N/Nc1ccc(C(=O)O)cc1)C(=O)N2C1CSC1 223724566 MBVHBTHRFKQZNP-PYCFMQQDSA-N 381.457 3.225 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224641821 KGWRKTCSHBBNAU-UHFFFAOYSA-N 377.462 3.402 30 40 GGEB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N[C@](C)(C#N)C(C)C)cc1 3535263 MEFNEFDYFFMXQJ-HSZRJFAPSA-N 392.455 3.437 30 40 GGEB CO/N=C/C(C(=O)Nc1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1F 5248303 VCQNKFSZTLXGOA-GZIVZEMBSA-N 383.301 3.069 30 40 GGEB CC(=O)Oc1ccc(C)cc1NC(=O)C[C@H]1S/C(=N\c2ccccc2)NC1=O 6195965 WGCVMAKBWUUBTQ-QGZVFWFLSA-N 397.456 3.168 30 40 GGEB CCOc1ccc(N2C(=O)C[C@@H](S/C(=N/c3ccccc3)NC#N)C2=O)cc1 13573367 DDVLQIIVHYGGGB-QGZVFWFLSA-N 394.456 3.209 30 40 GGEB O/C(CN1CCN(c2ccccc2F)CC1)=N\c1nnc(C(F)(F)F)s1 20386195 YBGRSPGPRSVGFH-UHFFFAOYSA-N 389.378 3.106 30 40 GGEB CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCCN(Cc2ccc(C#N)cc2)CC1 40037367 FYRPDXLWXJGIIH-SIKLNZKXSA-N 382.552 3.246 30 40 GGEB CC(=O)N1C[C@H](C(=O)Nc2ccccc2SCCC#N)Oc2ccccc21 95953448 GDWPZUCCJFYPOV-GOSISDBHSA-N 381.457 3.445 30 40 GGEB CN(Cc1cccnc1)[C@@H]1COC2(CCN(Cc3cccc(C#N)c3)CC2)C1 96220853 DQQCLTKHZWKBNF-QFIPXVFZSA-N 376.504 3.209 30 40 GGEB C=CCN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225009259 XYACDWSBUMTLTD-UHFFFAOYSA-N 377.378 3.193 30 40 GGEB CCOc1c(Br)cc(/C=C2/S/C(=N/C)N(C)C2=O)cc1OC 408930621 ZOWCLDPZHDACRD-MSEWRAJFSA-N 385.283 3.388 30 40 GGEB COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc([N+](=O)[O-])c1O 409035727 QNJNOTHCSAFKDN-UHFFFAOYSA-N 398.415 3.352 30 40 GGEB COc1cccc(/C=C2/S/C(=N\c3ccc(C(=O)O)cc3)N(C)C2=O)c1O 409057988 QWXCKTJQVYLIHB-ZHRUAKFBSA-N 384.413 3.333 30 40 GGEB CCOc1cc(/C=C2\C(=O)ON=C2C)ccc1OS(=O)(=O)c1ccccc1 409083096 NMCBHFIXBQZIFH-WJDWOHSUSA-N 387.413 3.169 30 40 GGEB CC1(C)c2ssc(=S)c2-c2cccc3c2N1C(=O)/C3=N\NC(N)=S 12402525 USCSFLYYWRGMEZ-MFOYZWKCSA-N 392.556 3.339 30 40 GGEB C=CCn1c(-c2ccc(O)c(C(N)=O)c2)cs/c1=N/c1ccc(OC)cc1 102962618 CGYPFYLHABZPLX-LSDHQDQOSA-N 381.457 3.448 30 40 GGEB COc1cc(/C=C/C(=O)c2cccc(N3CCOCC3)c2)cc(OC)c1OC 11334540 CMIVUNSHYDHKPY-BQYQJAHWSA-N 383.444 3.445 30 40 GGEB COCCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccncc1 17180687 BQKSNZUQXMJNKX-IBGZPJMESA-N 396.443 3.013 30 40 GGEB biogenic CN1C(=O)/C(=C/c2cn(CC(N)=O)c3ccccc23)SC1=Nc1ccccc1 409386746 XGJNWIJSZJQRII-DDOGFQLYSA-N 390.468 3.360 30 40 GGEB N#Cc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409310561 AXGKUZDCWJFDGI-RQZCQDPDSA-N 393.380 3.386 30 40 GGEB Cn1c([N+](=O)[O-])cnc1/C=C1/CCc2cc(OCCN3CCCC3)ccc2C1=O 17064205 OYUDSPXGVQGDNZ-SSZFMOIBSA-N 396.447 3.015 30 40 GGEB Cc1cccc(O[C@@H](C)c2nnc(/N=C(\O)C3=NN(C)C(=O)CC3)s2)c1C 19235678 BRMMGORUTVNXRU-LBPRGKRZSA-N 387.465 3.491 30 40 GGEB CCOC(=O)[C@H]1C(=O)C2=C(C[C@H]1c1ccco1)NC(=O)C[C@H]2c1ccccc1F 4742168 IDCLMHRSHQOAAB-PJSUUKDQSA-N 397.402 3.212 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)[C@H]1c1ccccc1OC 102802495 NQJGQJJARUKARA-YDJIHCHBSA-N 395.455 3.462 30 40 GGEB CC(C)N1CC(=O)N(/N=C/c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 58883632 KBQPRCGTHFCGCZ-YBCYLVPRSA-N 397.391 3.088 30 40 GGEB C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccccc1F 2619765 PTFQWLWBQCOWGN-UHFFFAOYSA-N 394.435 3.125 30 40 GGEB CNc1nc(N/N=C/c2cc([N+](=O)[O-])ccc2F)nc(Nc2ccccc2)n1 4321294 DBQQMWBTOFKCSM-KEBDBYFISA-N 382.359 3.150 30 40 GGEB C=CCN1C(=O)N(c2ccc(F)cc2)C(=O)[C@@H]1CC(=O)Nc1ccc(OC)cc1 4738720 YZCIABBTKOQPIZ-SFHVURJKSA-N 397.406 3.186 30 40 GGEB COc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)c(OC)c1OC 7587011 AVABAXHGRHMUMU-UXBLZVDNSA-N 383.444 3.445 30 40 GGEB C/C(=C\Cc1cc(C(=O)O)cc(CC[C@H](C)C(=O)/C=C/C(C)(C)O)c1O)CO 49181256 MQIPJISWCOTCGQ-UTOKCAKISA-N 390.476 3.036 30 40 GGEB biogenic,in-vitro CC(=O)C(C(C)=O)C1=C(Cl)C(=O)C(=O)c2c(C(=O)c3ccc(C)cc3)coc21 100756062 LWFJKTIZHZPQOK-UHFFFAOYSA-N 398.798 3.329 30 40 GGEB biogenic CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)o2)[C@H]1c1cccnc1 102541800 NUWYLSBQIAJSIE-LFVOPCPISA-N 397.475 3.137 30 40 GGEB COc1ccc(N2CCN(CC(=O)N(CCC#N)c3ccc(C)cc3)CC2)cc1 57270856 JDLADCYDOXDVNN-UHFFFAOYSA-N 392.503 3.073 30 40 GGEB C=CCOc1c(Br)cc(CNc2nnnn2CCCC)cc1OC 7262116 DKHPBRBJTQWAFO-UHFFFAOYSA-N 396.289 3.421 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccco1)c1c(ncn3nc(-c4ccccn4)nc13)O2 6660383 SIGLITMIHRISSX-QGZVFWFLSA-N 385.383 3.311 30 40 GGEB C=CCSc1nnc(NC(=O)C[C@@H](NC(C)=O)c2ccc(OC)cc2)s1 8751416 YTQJTXDZWMSFCV-CQSZACIVSA-N 392.506 3.031 30 40 GGEB C=CCN(C)Cc1ccc(C(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 72281965 HTUJHTMASGVAEM-UHFFFAOYSA-N 391.515 3.469 30 40 GGEB COc1ccc2[nH]cc(CCNS(=O)(=O)c3ccc(Cl)c(C#N)c3)c2c1 72307366 OQPDLLFPPLAMKR-UHFFFAOYSA-N 389.864 3.223 30 40 GGEB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCN(C)CC3)c2C#N)C1 23253663 RNGDAADJNJXYLK-OAHLLOKOSA-N 388.581 3.347 30 40 GGEB O=C1NC(=NC(=O)c2ccc(Cl)cc2)S/C1=C\c1ccc2c(c1)OCO2 409125854 GBRGYTGRQRXHJX-NVNXTCNLSA-N 386.816 3.469 30 40 GGEB O=C1CSC(=S)N1/N=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 409333206 RGVRNEKUDMJDKH-GIJQJNRQSA-N 387.442 3.368 30 40 GGEB O=C(O)c1cc(/N=C\c2ccc(O)c(I)c2)ccc1O 408904435 JIVCCQHHHBXCGC-APSNUPSMSA-N 383.141 3.151 30 40 GGEB C#CCn1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c2ccccc21 687263 RBBQURQAOSNHJW-QGOAFFKASA-N 399.475 3.414 30 40 GGEB COC(=O)[C@H](/C=N/OCc1ccc(Cl)c(Cl)c1)NC(=O)c1ccccc1 5209722 OKBMAPLFYAWRQG-CTJICSLTSA-N 395.242 3.467 30 40 GGEB C#CCOc1cccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)c1 12293014 TYULTRCFYGCIPH-UHFFFAOYSA-N 380.463 3.465 30 40 GGEB O=C(C1=C(O)C(=O)N(CCO)[C@H]1c1cccc(F)c1)c1ccc(Cl)cc1 5409189 RNYUVEARJVNZGM-INIZCTEOSA-N 375.783 3.050 30 40 GGEB C[C@H](CNS(=O)(=O)c1cccc(C#N)c1)c1nc2ccccc2n1C(F)F 32863487 AIOYCTOMCBKAGW-GFCCVEGCSA-N 390.415 3.385 30 40 GGEB CCOc1cc2c(cc1CNC(=O)[C@H](C)Oc1ccc(C#N)cc1)O[C@H](C)C2 8272255 XJAZNYQZPLPNQP-CABCVRRESA-N 380.444 3.364 30 40 GGEB O=C1CCCC2=C1[C@@H](c1ccccn1)n1nc(SCc3ccccn3)nc1N2 18198873 YVIVZUVCDVLHHF-GOSISDBHSA-N 390.472 3.382 30 40 GGEB O=C1C[C@H](c2cccs2)CC2=C1[C@H](c1ccc(O)c(O)c1)n1ncnc1N2 18197602 ODYPFVJSPDUUCM-ZMZPIMSZSA-N 380.429 3.167 30 40 GGEB CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1NCc1ccccc1C#N 17525046 DFXPMLNUKCRTKQ-UHFFFAOYSA-N 398.532 3.411 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1Cl 32634717 AWKUXAYIZMUFIG-LWPKIGSASA-N 393.317 3.005 30 40 GGEB Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NCc2c(C)noc2C)n1 63112604 LAODZIMZUHPKNC-UHFFFAOYSA-N 384.383 3.294 30 40 GGEB Cn1ccnc1C[C@@H](NC(=O)c1cnc(C(F)(F)F)c(C#N)c1)c1ccccc1 590285353 RJTHIWAPJGGWMD-MRXNPFEDSA-N 399.376 3.419 30 40 GGEB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)n2ncc(C#N)c2N1 101486297 HYCQWYDRJIJOPL-FQEVSTJZSA-N 399.410 3.411 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1cccc(F)c1)c1nccn1C 12551661 FPAADGOUIQEZPY-LIRRHRJNSA-N 378.407 3.104 30 40 GGEB C=CCn1c(SCC(=O)NCCC)nc2sc3c(c2c1=O)CC[C@H](C)C3 3610343 LTXBEBDXDMLSOX-LBPRGKRZSA-N 391.562 3.387 30 40 GGEB CC(C)c1ccc(N2/C(=N/C(=O)C(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 5321877 VVZYWGFNBGZDDS-VXAPJYQHSA-N 394.562 3.458 30 40 GGEB CCOc1cccc(/N=C/[C@@H]2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c1 408759317 CCOLVXBVUACYSR-KKJJZKEWSA-N 381.457 3.160 30 40 GGEB C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOC)cc1 6786265 ZVUQXRGAZRWJFQ-GOSISDBHSA-N 383.400 3.069 30 40 GGEB C[C@@H](C(=O)Nc1cccc(C#Cc2ccccc2)c1)S(=O)(=O)C1CCOCC1 89573810 NJAQFTGZPWJUHO-KRWDZBQOSA-N 397.496 3.007 30 40 GGEB CC1=NN(c2ccccc2)C(=O)/C1=C(\N/N=C(\O)OC(C)(C)C)C(F)(F)F 138733845 UDJZNZIYXPCUFY-SEYXRHQNSA-N 384.358 3.459 30 40 GGEB C=CCOc1ccc(N(CC(=O)OCC)S(=O)(=O)c2ccc(F)cc2)cc1 224925386 MNJUSJGWNWLMCD-UHFFFAOYSA-N 393.436 3.149 30 40 GGEB COc1ccc2c(c1)[nH]c1c(=O)n(/N=C\[C@H]3[C@@H](C)C=C(C)C[C@@H]3C)c(=O)[nH]c12 13136190 HSDNTQVKHHCNKZ-NBTPHSPBSA-N 380.448 3.252 30 40 GGEB N#Cc1ccc(CN2CCC(Cn3cnc4cc(F)ccc4c3=O)CC2)cc1 1849456359 QHNKBNBDOYBKCA-UHFFFAOYSA-N 376.435 3.319 30 40 GGEB Cn1c(SCC(=O)Nc2cc(Cl)ccc2C#N)nnc1C(F)(F)F 6788289 FIRGVRMJWXJSAT-UHFFFAOYSA-N 375.763 3.090 30 40 GGEB CO[C@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1cc2ccccc2o1 245053530 OYMPZFLPGZQTOI-GOSISDBHSA-N 397.818 3.400 30 40 GGEB CCc1nnc(NS(=O)(=O)c2ccc(/N=C/c3ccccc3O)cc2)s1 100032009 WARYRUKTRCIDQJ-WOJGMQOQSA-N 388.474 3.358 30 40 GGEB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(C#Cc2ccccn2)c1 31081582 CPPXUHBRNWAVID-UHFFFAOYSA-N 383.407 3.418 30 40 GGEB COc1cccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2c2cc(C)on2)c1 1451120 UDIDNFJXBQEPGW-QGZVFWFLSA-N 380.356 3.368 30 40 GGEB Cc1sc(NC(=O)CSc2nnnn2C2CCCCC2)c(C#N)c1C 4217543 XMDUVSXYPFNFKW-UHFFFAOYSA-N 376.511 3.459 30 40 GGEB CCOc1ccc2nc(NCCNC(=O)COc3ccccc3)c(C#N)cc2c1 20151417 RGSRSEGRRUIKHE-UHFFFAOYSA-N 390.443 3.112 30 40 GGEB O=C(C1=C(O)C(=O)N(c2ncccn2)[C@H]1c1ccccc1)c1ccc(F)cc1 6813946 WUIXZVHNGYOAEE-KRWDZBQOSA-N 375.359 3.399 30 40 GGEB CC(C)c1ccc([C@@H]2C3=C(Nc4[nH]c(=O)[nH]c(=O)c42)c2ccccc2C3=O)cc1 18201165 ILGLMCJUDMNNHJ-MRXNPFEDSA-N 385.423 3.352 30 40 GGEB N#Cc1cc(NC(=O)N2CCN3C(=O)CC[C@H]3C2)ccc1Oc1ccccc1 548341397 CKMCVJLSAOQKDL-KRWDZBQOSA-N 376.416 3.189 30 40 GGEB N#Cc1nc(-c2cccnc2)oc1NC[C@@H](c1ccccc1)N1CCOCC1 35672507 INBVYRFLETYEHW-IBGZPJMESA-N 375.432 3.094 30 40 GGEB O=C1C(Br)=C/C(=N\S(=O)(=O)c2ccccc2)c2ccccc21 3123225 LTHYNUWKUFSQOZ-OBGWFSINSA-N 376.231 3.340 30 40 GGEB CCOC(=O)/C(=N/C[C@@H]1CCCO1)NNc1cc(C(F)(F)F)ccc1Cl 3179372 OTKPWYSTEKNGOA-NSHDSACASA-N 393.793 3.416 30 40 GGEB COc1cccc2sc(N3C[C@@H]4CN(c5ncccc5C#N)C[C@H]4C3)nc12 2087046257 HGCFKNHAZWHHRW-GJZGRUSLSA-N 377.473 3.144 30 40 GGEB N#Cc1ccccc1S(=O)(=O)N1CCC[C@H](COc2ncccc2Cl)C1 1890825409 NIAWZMDUAKKAMP-AWEZNQCLSA-N 391.880 3.086 30 40 GGEB CCOC(=O)[C@@]1(C)/C(=N\Nc2ccccc2Cl)C(=O)C(=O)N1c1ccccc1 12412366 SNJFPRTZCVKAJF-AKWGVZKHSA-N 399.834 3.046 30 40 GGEB C=CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1 55722511 WMSARXSUFFKORY-UHFFFAOYSA-N 386.473 3.288 30 40 GGEB N#Cc1ccccc1COC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3530210 ZNLDXQJMRIZVRH-UHFFFAOYSA-N 398.484 3.480 30 40 GGEB Cc1c(C#N)c(NC(=O)CN2CCn3cccc3[C@@H]2C)n(Cc2ccco2)c1C 14185780 ZSTOUPRJUDSFAL-KRWDZBQOSA-N 391.475 3.435 30 40 GGEB C=CCNc1nnc(SCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])s1 5785802 CZIRDHOLGCMDDT-UHFFFAOYSA-N 379.467 3.392 30 40 GGEB C#CCN1C(=O)S/C(=C/c2cc(Br)c(O)c(OCC)c2)C1=O 6387761 ANLYVKGMFZKEJT-XYOKQWHBSA-N 382.235 3.223 30 40 GGEB CN(C(=O)Cn1nc(-c2ccc(Cl)s2)ccc1=O)C1(C#N)CCCCC1 593441162 DQTMJEZZWITQCI-UHFFFAOYSA-N 390.896 3.310 30 40 GGEB COc1ccc(S(=O)(=O)CCCC(=O)Nc2sc(C)c(C)c2C#N)cc1 10218794 BESUHTBOHWBMCG-UHFFFAOYSA-N 392.502 3.438 30 40 GGEB CC[C@H](CNC(=O)CCc1c(C)nc2c(C#N)cnn2c1C)c1ccccc1 32824679 ULASDQAQTBTPTH-QGZVFWFLSA-N 375.476 3.460 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccccc1 102799174 TYOXNODVSHSVFH-ISYIFQNYSA-N 381.403 3.426 30 40 GGEB CCSc1nc(=O)c2c([nH]1)NC1=C(C(=O)CCC1)[C@@H]2c1cccc([N+](=O)[O-])c1 959822 LFVHSVAHOFTLTR-AWEZNQCLSA-N 398.444 3.355 30 40 GGEB COc1ccc(CCN2C(=O)C(O)=C(C(C)=O)[C@@H]2c2ccccc2F)cc1OC 902855 CPJAPCLJZGLIJX-FQEVSTJZSA-N 399.418 3.370 30 40 GGEB Cc1cccc(-n2nnnc2SCC(=O)N(CCC#N)c2ccccc2)c1 2658136 DUTLNHLMHNUZAV-UHFFFAOYSA-N 378.461 3.010 30 40 GGEB Cc1ccc2c(c1)S[C@@H](C(=O)N1CCN(Cc3ccc(C#N)cc3)CC1)C2 12913533 XWUUQZVJSDYWSI-OAQYLSRUSA-N 377.513 3.228 30 40 GGEB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)C2=O)c1 4703301 FAPGHHDNEAPLKI-XDHOZWIPSA-N 398.422 3.448 30 40 GGEB CC(C)[C@H](NC(=O)Cc1cccc(OCC#N)c1)c1ccc2c(c1)OCCO2 89801741 WGPFJMXGNKKNPP-QFIPXVFZSA-N 380.444 3.416 30 40 GGEB CC(=O)OC[C@H]1O[C@]12CC[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C 118936646 KNXNDGHPTWDHLL-AAZVSSJSSA-N 388.504 3.190 30 40 GGEB CC(C)(C)COc1c(C=Nn2c(O)nc3ccccc3c2=O)cccc1[N+](=O)[O-] 409353052 GBMJATPKTNEUIN-UHFFFAOYSA-N 396.403 3.317 30 40 GGEB C=CCOc1ccc(NC(=O)c2ccc(N(CC=C)S(C)(=O)=O)cc2)cc1 218388530 AGWAHGWZSLJQTE-UHFFFAOYSA-N 386.473 3.456 30 40 GGEB Cc1cc(-n2ncc(C#N)c2NS(=O)(=O)c2cccs2)nc2ccccc12 12239994 CHOLBCSTUSKVPD-UHFFFAOYSA-N 395.469 3.463 30 40 GGEB C#CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 2947687 KJPBROKPUKJOAZ-ATVHPVEESA-N 380.787 3.018 30 40 GGEB Cc1nn(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c(C#N)c1C 7384384 KKDCOAMDVIACOB-UHFFFAOYSA-N 384.745 3.043 30 40 GGEB N#CCOc1cccc(CNC(=O)[C@H]2CCn3c(cnc3-c3ccccc3)C2)c1 95993205 BYSZIPWQOFQCPM-IBGZPJMESA-N 386.455 3.331 30 40 GGEB C=CCNCc1ccc(OCC(=O)Nc2ccc(C(=O)OCC)cc2)c(OC)c1 36612279 SEONSNPRPVSDEN-UHFFFAOYSA-N 398.459 3.165 30 40 GGEB CCOC(=O)[C@@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(CC)cc1 218347902 WKLDVYBFXBQCAH-IRFCIJBXSA-N 383.469 3.262 30 40 GGEB CC(C)S(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCC3)cc1 12070140 URSAPXWTVALPIQ-UHFFFAOYSA-N 388.514 3.472 30 40 GGEB N#Cc1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(=N)c1/N=C/c1ccsc1 100406785 KNLPPOQTRJRHBE-UJDRTZDMSA-N 389.362 3.348 30 40 GGEB COc1cc(/C=N/Nc2nc(C)cc(C)n2)ccc1OC(=O)c1cccnc1 6672252 UFZFBANSXCYTBK-SSDVNMTOSA-N 377.404 3.162 30 40 GGEB COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3ccc(F)c(Cl)c3)c2)c1 3350572 ZICUQPRORBRGER-UHFFFAOYSA-N 398.777 3.447 30 40 GGEB C=CCOc1ccc(C2=NO[C@@H](C(=O)Nc3ccc4c(c3)OCCO4)C2)cc1 6660630 BKIFACNGJWKQGI-HXUWFJFHSA-N 380.400 3.154 30 40 GGEB CCCn1c(CNc2ccc(C#N)cc2)nc2cc(S(=O)(=O)N(C)C)ccc21 15291309 SJUADLFIXIINLP-UHFFFAOYSA-N 397.504 3.180 30 40 GGEB COc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1OC 4957010 RRWPQWQQOISAGK-UHFFFAOYSA-N 394.427 3.294 30 40 GGEB CS(=O)(=O)N[C@H](CC(=O)Nc1ccc(CC#N)cc1)c1ccc(Cl)cc1 225948893 SABHZRFQWAQENG-QGZVFWFLSA-N 391.880 3.025 30 40 GGEB Cc1ccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3cccc(C#N)c3)n2)cc1F 15674302 JFITUNFRQPHNMS-MJGOQNOKSA-N 378.407 3.364 30 40 GGEB biogenic,in-vitro COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1OC 18218039 LNHZWBGOBBBYFG-XCLFUZPHSA-N 392.415 3.304 30 40 GGEB CCOc1c(I)cc(/C=C2/C(=O)ON=C2C)cc1OC 208852812 ZYUJDSDCIFZVGU-BJMVGYQFSA-N 387.173 3.015 30 40 GGEB N#Cc1ccc(-c2csc(NC(=O)CCS(=O)(=O)c3ccccc3)n2)cc1 4325506 JIPNDFDQQJVULA-UHFFFAOYSA-N 397.481 3.484 30 40 GGEB C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCOC)cc1 8996244 XHTPCXBTHMMZTN-IBGZPJMESA-N 397.427 3.459 30 40 GGEB CCOC(=O)CCC(=O)[C@H](C#N)c1nc(-c2ccc(OC)c(OC)c2)cs1 32682264 JMMUGAMNLMMGRA-ZDUSSCGKSA-N 388.445 3.347 30 40 GGEB C=CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccncc1 892328 PSCRSUNUANFPMC-UHFFFAOYSA-N 396.432 3.165 30 40 GGEB C=CCNC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1C 4854343 BXJKRISKKUMMKA-UHFFFAOYSA-N 379.489 3.340 30 40 GGEB Cn1cnnc1Sc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1[N+](=O)[O-] 59490098 LYXWKYJUOQFUHF-UHFFFAOYSA-N 392.396 3.337 30 40 GGEB COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)[C@H]2c2cccnc2)cc1 5184831 OKBWCKMQBKCTHQ-SFHVURJKSA-N 391.383 3.170 30 40 GGEB CSc1ccc([C@@H]2C3=C(Nc4[nH]c(N)nc(=O)c42)c2ccccc2C3=O)cc1 4385917 WFNQSOPQLQBGGY-CQSZACIVSA-N 388.452 3.239 30 40 GGEB O=C1CCCC2=C1[C@@H](c1cccc(F)c1)c1c([nH]c(N3CCCCC3)nc1=O)N2 22607017 ZUUAHFDCAHTCTI-QGZVFWFLSA-N 394.450 3.464 30 40 GGEB O=C1Oc2ccccc2C(=O)/C1=C\NCc1nc(-c2c(F)cccc2Cl)no1 1547201138 XDDQSTHJKVAPBY-DHZHZOJOSA-N 399.765 3.305 30 40 GGEB CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCC(=O)O 408931559 NDNFDWKKDSZYGG-HYARGMPZSA-N 384.432 3.136 30 40 GGEB Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc(C#N)cc1 409410151 ZMYBVUXVQSKEEY-IDPBPBMLSA-N 384.439 3.107 30 40 GGEB C=CCc1cc(CNC(=O)N2Cc3c[nH]nc3CC(C)(C)C2)cc(OC)c1OC 663178993 RBAGKLCSRROCFQ-UHFFFAOYSA-N 398.507 3.450 30 40 GGEB COc1ccc(Cl)cc1NC(=O)N1CC[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 2070420390 ZIYMTHZBLNNSHD-PBHICJAKSA-N 397.866 3.358 30 40 GGEB COc1ccc(-c2noc(CCCC(=O)O/N=C(\N)c3ccc(F)cc3)n2)cc1 41156122 COVDYQBPZMPTHY-UHFFFAOYSA-N 398.394 3.071 30 40 GGEB CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)ccc1OC(C)=O 814125 NLHXJCDKEFNXRZ-OAQYLSRUSA-N 394.427 3.365 30 40 GGEB N#Cc1cc2cc3c(cc2nc1SCC(=O)NCc1ccccc1)OCCO3 1354961 DONRCRQUJJWPQT-UHFFFAOYSA-N 391.452 3.286 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5[nH]c(=O)c(C#N)c(C#N)c5C[C@@]43C)[C@@H]1CC[C@@H]2O 3984792 RONRYQJFHZPPMI-HDQOWEFJSA-N 391.515 3.437 30 40 GGEB CC(=O)N[C@@]1(C(F)(F)F)C(=O)N(Cc2ccccc2)C2=C1C(=O)CC(C)(C)C2 2391474 NICLPSLDDJHRCQ-LJQANCHMSA-N 394.393 3.109 30 40 GGEB CC(C)c1ccccc1N1/C(=N\C(=O)C(C)(C)C)S[C@@H]2CS(=O)(=O)C[C@H]21 101316565 JLYIJNVEPBUBOX-SJTPKYKMSA-N 394.562 3.458 30 40 GGEB CC1(C)Cc2c(C#N)c(OCCc3ccccc3)nc(N3CCOCC3)c2CO1 71280850 YVARUAUPHDSWJV-UHFFFAOYSA-N 393.487 3.263 30 40 GGEB C=CCc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(OC)c1OCC 409366967 YNUFIFARYQBEJH-UHFFFAOYSA-N 379.416 3.120 30 40 GGEB C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)C(=O)N1C 408929201 IGNBIZIAVJWSOL-QTFLQNGUSA-N 383.473 3.413 30 40 GGEB C[C@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Br)cc1F 1658849938 DQNOOTOBBCTEPM-VIFPVBQESA-N 390.216 3.059 30 40 GGEB N#CC1(NC(=O)COc2cccc(I)c2)CCCCC1 21105684 FCADCOZVVMFTGL-UHFFFAOYSA-N 384.217 3.013 30 40 GGEB Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2F)cccc1[N+](=O)[O-] 28429591 YHZDTWAMYUATSM-UHFFFAOYSA-N 385.351 3.146 30 40 GGEB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(O)c([N+](=O)[O-])c2)C2=C(CCCC2=O)N1 100505803 KZCRLAWZRAOFRH-GOSISDBHSA-N 386.404 3.220 30 40 GGEB COc1ccc(O[C@@H](C)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)cc1 12785337 HKKZKBKKDQLEPC-SFHVURJKSA-N 393.487 3.069 30 40 GGEB C=CCOC(=O)c1nnc2c(-c3ccc(OC)c(OC)c3)c(CC)nn2c1C 20633793 JRSXHIRFVNHJDG-UHFFFAOYSA-N 382.420 3.022 30 40 GGEB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)[C@@H]1/C=N/c1ccc(F)cc1 408744438 ZUQWOYUFAZRNPT-UMXKZIAQSA-N 375.812 3.246 30 40 GGEB C=CCOc1ccc(NC(=O)[C@]23C[C@@H]2CN(c2ccc(C)cc2)S3(=O)=O)cc1 225941323 SEHOEPKKISIXLJ-IERDGZPVSA-N 398.484 3.107 30 40 GGEB Cc1n[nH]c(SCC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccc(F)cc2)n1 11710367 CXOMJCBBELYNPY-UHFFFAOYSA-N 384.440 3.262 30 40 GGEB C=CCNC(=O)c1c(NC(=O)c2snnc2CC)sc2c1CCCC2 4941917 MOWGXOOCXOLZTE-UHFFFAOYSA-N 376.507 3.209 30 40 GGEB N#Cc1cccnc1N1CCC(CNC(=O)C2(c3ccc(F)cc3)CC2)CC1 70929448 AZICNAWBKMTQJG-UHFFFAOYSA-N 378.451 3.157 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1ccc(O)cc1)c1cccs1 17147403 LHHFAGKZQCWCGY-WMLDXEAASA-N 385.441 3.211 30 40 GGEB CSc1nc(NC(=O)C/C=N\OCc2c(Cl)cccc2Cl)nn1C 12955766 SMSKDGJQCKYOBC-IDUWFGFVSA-N 388.280 3.375 30 40 GGEB CCOc1cc([C@@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 9483819 NPGBVOQBCJDFFM-ZUOKHONESA-N 392.415 3.391 30 40 GGEB CC/N=C1/S[C@H](CC(=O)Nc2cccc(Br)c2)C(=O)N1CC 4689423 YUEICUWBQRHJNF-OPGVCCBYSA-N 384.299 3.118 30 40 GGEB C[C@]12CC[C@H]3[C@@H](CCC4=C[C@H](O)CC[C@@]43C=O)[C@]1(O)CC[C@@H]2c1ccc(=O)oc1 118929681 XMFOZWPYGNDNKK-ZHIOLRMKSA-N 398.499 3.341 30 40 GGEB Cn1ccnc1[C@H](NC(=O)COc1ccc(C#N)cc1Cl)c1ccccc1 21521722 ZVNYLZULURVNRS-LJQANCHMSA-N 380.835 3.230 30 40 GGEB C=CCOc1ccccc1C(=O)N1CCN(C(=O)/C=C/c2cccs2)CC1 47286164 RINAMRGDUXQNPK-MDZDMXLPSA-N 382.485 3.311 30 40 GGEB C#CCOc1c(/C=N\c2c(C)n(C)n(-c3ccccc3)c2=O)cccc1OC 5677788 JVPORLCAXJHDSN-HAHDFKILSA-N 375.428 3.256 30 40 GGEB O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/CCCN2CCOCC2)c1O 6228739 XPXIRKJDRPXVCC-CJLVFECKSA-N 383.448 3.032 30 40 GGEB Cn1c(N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)nc2ccccc21 7343305 XSKSKRDISHNLAS-CAOOACKPSA-N 390.197 3.396 30 40 GGEB COc1cc(/C=N/NC(N)=S)cc(Br)c1OCc1ccccc1 5236862 KZRVBCUALNTOAE-DJKKODMXSA-N 394.294 3.204 30 40 GGEB COc1ccc(Cl)cc1NC(=O)N1CC[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 2070420395 ZIYMTHZBLNNSHD-WMLDXEAASA-N 397.866 3.358 30 40 GGEB N#Cc1cccnc1N1C[C@H]2CN(c3nc4c(F)cc(F)cc4s3)C[C@H]2C1 2086868845 RMKRELDHMAXDKH-BETUJISGSA-N 383.427 3.414 30 40 GGEB C[C@H](c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc(C#N)c2)CC1 30004777 VBHNDCRUABEKPI-OAHLLOKOSA-N 389.908 3.279 30 40 GGEB Cc1oc(-c2nc(C#N)c(NC(C)C)o2)cc1S(=O)(=O)N1CCCCC1 40268115 PZJADMWPYFCFPU-UHFFFAOYSA-N 378.454 3.110 30 40 GGEB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccc(C#N)c3)cc2)C1 6790411 CJZFQRJNRXGTGD-HZPDHXFCSA-N 397.500 3.477 30 40 GGEB C=CCN(CCOc1cccc(C)c1)S(=O)(=O)c1ccc(NC(C)=O)cc1 9683076 JPNBBFTZMQJYLD-UHFFFAOYSA-N 388.489 3.209 30 40 GGEB O=C1CCCC2=C1[C@H](c1ccc(-c3ccccc3)cc1)c1c([nH]c(=O)[nH]c1=O)N2 18199477 HRAKGWDZMZNVDO-SFHVURJKSA-N 385.423 3.295 30 40 GGEB CC[C@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccccc1F)S(C)(=O)=O 220591519 FVPOHIPDRHRXTR-QGZVFWFLSA-N 389.452 3.075 30 40 GGEB CN(C)/C=C(/C(=O)C(Cl)(Cl)Cl)c1nnnn1-c1ccc(Cl)cc1 36533042 FELCURHHOWKTFM-YFHOEESVSA-N 395.077 3.158 30 40 GGEB Cc1ccc(NC(=O)CSc2sc3c(O)cc(=O)[nH]c3c2C#N)c(F)c1 13119394 ARCJREXDSBHEON-UHFFFAOYSA-N 389.433 3.345 30 40 GGEB CC(=O)Oc1ccc(C)cc1NC(=O)C[C@@H]1S/C(=N\c2ccccc2)NC1=O 6195967 WGCVMAKBWUUBTQ-KRWDZBQOSA-N 397.456 3.168 30 40 GGEB C#CCN1C(=O)[C@]2(CC(O)=Nc3c2cnn3Cc2ccc(C)cc2)c2ccccc21 32090476 KVOAMFNXFUFPQZ-XMMPIXPASA-N 396.450 3.497 30 40 GGEB C[C@H]1CN(Cc2ccc(CNC(=O)Nc3ccc(C#N)cc3)cc2)C[C@@H](C)O1 32831181 AZQHXPBRXMNQDN-CALCHBBNSA-N 378.476 3.489 30 40 GGEB C=C1[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@@H]1C(=O)Nc1ccc(N(C)C)cc1 858504 NKRUYCRTWIOVKU-WOJBJXKFSA-N 378.476 3.198 30 40 GGEB COCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N(CC(C)C)CC(C)C 2302975 GPCJNAYIVIATDV-QGZVFWFLSA-N 397.523 3.118 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C)cc1)C(C(=O)OC)=C(C)N2 4292274 PFQKTDFHLRJQAB-OAHLLOKOSA-N 383.473 3.361 30 40 GGEB C=CCOc1ccc(C(=O)NCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1 4943910 VXDQFYHERGAPKU-UHFFFAOYSA-N 395.415 3.249 30 40 GGEB CCOC(=O)c1ccc(N2N=C3C(=CC(=O)c4ccccc43)SCC2=O)cc1 5707036 GBELWUUFTKMXCD-UHFFFAOYSA-N 392.436 3.428 30 40 GGEB O=C(C1=C(O)C(=O)N(C[C@@H]2CCCO2)[C@H]1c1cccc(O)c1)c1cccs1 6813533 ROFOTIQTFMZJAF-YOEHRIQHSA-N 385.441 3.211 30 40 GGEB CC(=O)C1=C(OC(=O)c2ccc(Cl)cc2)c2ccccc2S(=O)(=O)N1C 9184476 CTABKGAVAMFXGZ-UHFFFAOYSA-N 391.832 3.089 30 40 GGEB CS(=O)(=O)c1ccc(CC(=O)Nc2sc3c(c2C#N)CCCCC3)cc1 10252682 RCXVDCIKJRPUST-UHFFFAOYSA-N 388.514 3.473 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(Cn3nnc4ccccc43)c(=O)c21 12113480 PPXHDJGFNCVLQE-UHFFFAOYSA-N 376.445 3.158 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 19996917 QVOQZFMRFSUICF-IBGZPJMESA-N 382.435 3.356 30 40 GGEB CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Cl)c1 20441304 UMMGRQBLSCZITP-GOSISDBHSA-N 399.878 3.265 30 40 GGEB CC(=O)c1cccc(/N=C(\O)[C@@H](C)N2CCN(C(=O)c3cccs3)CC2)c1 24667565 DWQFUEZPQXPNCP-CQSZACIVSA-N 385.489 3.385 30 40 GGEB CN(Cc1ccccc1N1CCCCC1)C[C@@H](O)COc1ccc(C#N)cc1 25301792 DVLIJZYQPYAYRM-OAQYLSRUSA-N 379.504 3.420 30 40 GGEB N#Cc1cccc(S(=O)(=O)NCc2cccnc2Oc2cccc(F)c2)c1 32437762 VXCAOZMUUFVSGK-UHFFFAOYSA-N 383.404 3.363 30 40 GGEB N#Cc1ccc(N2CCCN(C(=O)N[C@@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 67564716 JFBNERKYYWPXAJ-NHCUHLMSSA-N 378.451 3.475 30 40 GGEB Cc1ccc(S(=O)(=O)OC[C@@H]2COc3ccc4nc(C)ccc4c3O2)cc1 71256091 MYHBOPKOGIKIFF-HNNXBMFYSA-N 385.441 3.397 30 40 GGEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@H]1COc2ccccc2O1 90610469 NVGCWAKDHSQHHV-GOSISDBHSA-N 391.345 3.044 30 40 GGEB CC(C)(Oc1ccc(C#N)cc1)C(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 95980240 JPRFDKFIVUITGS-INIZCTEOSA-N 379.464 3.117 30 40 GGEB C/C(O)=C1\C(=O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(Br)cc1 101069999 DKGYMVOOGYGOQZ-SFKKXYGYSA-N 387.233 3.329 30 40 GGEB CC/N=C1\S/C(=C\c2ccc(OCC(=O)OC(C)C)cc2)C(=O)N1CC 108929969 VILVRILDLNFBBT-CMLHKUKGSA-N 376.478 3.329 30 40 GGEB C=CCSc1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC)s1 224940127 MFXUYZFBQNIMEA-UHFFFAOYSA-N 377.900 3.279 30 40 GGEB C=CCN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2sccc2c1=O 23064763 QFWTWDLZIUCGIG-UHFFFAOYSA-N 379.894 3.388 30 40 GGEB COc1cccc(/C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=N/O)c1 20111740 JRQDNYRAOVPLFL-JMMZKRSASA-N 384.432 3.230 30 40 GGEB COc1ccc(Cl)cc1C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 46623060 FDLBAQKTTWDVNK-UHFFFAOYSA-N 386.839 3.048 30 40 GGEB C[C@@H](Oc1ccc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)cc1)C(=O)O 12363886 IXRQBLBZXCUSNC-CNRHGSOZSA-N 398.440 3.004 30 40 GGEB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cn1cnc(C#N)n1 14143353 BYIADQZTMFPJEH-UHFFFAOYSA-N 395.444 3.002 30 40 GGEB COc1cc(/C=N/N=c2nc(O)c3ccccc3n2-c2ccccc2)ccc1O 408732035 OIUCHNGZAMXJKT-OEAKJJBVSA-N 386.411 3.380 30 40 GGEB Cc1oc(-c2nc(C#N)c(NC(C)C)o2)cc1S(=O)(=O)N1CCCCCC1 40285403 OEMOTOCAIYDBAY-UHFFFAOYSA-N 392.481 3.500 30 40 GGEB COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccccc1C#N 23398755 ARCZNQMQIGQFKY-UHFFFAOYSA-N 385.214 3.269 30 40 GGEB C=CCNC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1CC(C)C)CCC3 16835354 KQFYPSOSJHGPHP-GFCCVEGCSA-N 391.562 3.386 30 40 GGEB COc1ccc(/C=C/C(=O)c2c(O)[nH]c(=O)n(CCC3=CCCCC3)c2=O)cc1 101268256 DEPLFUCBVCYQOG-FMIVXFBMSA-N 396.443 3.037 30 40 GGEB COc1ccc2nc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C#N)c3)ccc2c1 32868697 YHELVMAJWJLELP-ZDUSSCGKSA-N 375.384 3.299 30 40 GGEB CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)[C@H]2c2ccc(F)cc2)cc1 102534872 BMMSCMGNZBDPDP-WOOAAIBNSA-N 399.418 3.293 30 40 GGEB N#Cc1ccccc1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9550210 AGDHLJFWBKRBOD-UHFFFAOYSA-N 382.375 3.351 30 40 GGEB C/C(=N\Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1)c1ccc(O)cc1 59502988 SJCDBWCNZBXLPX-PCLIKHOPSA-N 395.511 3.394 30 40 GGEB N#Cc1ccc(NC(=O)COC(=O)c2ccccc2NC(=O)c2ccco2)cc1 3483799 AONGOKSNRIPCIK-UHFFFAOYSA-N 389.367 3.199 30 40 GGEB CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(F)c1 19882193 WUZHLKGIWSJUPI-IBGZPJMESA-N 397.450 3.141 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)C(=O)NC1=S 408903374 RWYMSBAJJOBLAF-LDADJPATSA-N 379.485 3.215 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c(C#N)c1 225776702 FMZFHPFRLCIYGC-UHFFFAOYSA-N 382.391 3.310 30 40 GGEB N#Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)sc2c1CCC2 40082087 LXTOPANSJMZGQL-JTQLQIEISA-N 387.411 3.378 30 40 GGEB C[C@](C#N)(NC(=O)CN(Cc1ccccc1)C[C@H](O)c1ccsc1)C1CC1 79093022 DXYZCBVSFQNDGQ-PZJWPPBQSA-N 383.517 3.092 30 40 GGEB C=CCn1c(N2CCC(C(=O)NCc3ccccn3)CC2)nc2ccccc21 12116502 IIAGIMLTGWUEBL-UHFFFAOYSA-N 375.476 3.150 30 40 GGEB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(CC#N)cc1 15030077 LWYSUKYSIYWENG-UHFFFAOYSA-N 383.473 3.098 30 40 GGEB Cc1ccc(/C=N/n2c(C)nnc2SCn2nc(C)c([N+](=O)[O-])c2C)cc1 2733227 QRXHZSZKBYIESF-GIJQJNRQSA-N 385.453 3.248 30 40 GGEB COc1ccccc1/N=C1\S[C@@H](C(=O)NCCc2ccccc2)CC(=O)N1C 4576907 YXSVXZLEPYLNQE-GLEDVZQVSA-N 397.500 3.006 30 40 GGEB O=C(/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1F)C1CCCCC1 102698891 QIWYPYBVRVDVPS-SJTPKYKMSA-N 396.509 3.007 30 40 GGEB Cn1c(SCC(=O)Nc2c(C#N)oc3ccccc23)nnc1-c1ccncc1 3527840 BNGULSTZACUIRN-UHFFFAOYSA-N 390.428 3.226 30 40 GGEB C[C@H](C(=O)Nc1ccc(C#N)c(Cl)c1)N(C)Cc1ccc2c(c1)OCCO2 14249805 NZAUUYNVUCHKIU-CYBMUJFWSA-N 385.851 3.442 30 40 GGEB CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2cc3ccccc3o2)[C@@H]1c1ccco1 6812705 BMTKPBFOSAFNPH-GHNGSUTGSA-N 380.400 3.009 30 40 GGEB COc1cccc(/C=C/C(=O)c2cc(Br)ccc(=O)c2O)c1OC 19909818 BXERHTFLZJTXRT-SOFGYWHQSA-N 391.217 3.428 30 40 GGEB Cc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(F)cc3)c(=O)c2C#N)cc1 409205903 QQKQCDJQJOWKLW-WDZFZDKYSA-N 375.359 3.420 30 40 GGEB CCCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1Cl 32634104 SHETZJNPPWXUAQ-KRGDBVFUSA-N 386.926 3.132 30 40 GGEB C=C(C)COc1ccc2c(C)c(CC(=O)NCCc3ccncc3)c(=O)oc2c1 79193183 PRPHNJMWUABSSB-UHFFFAOYSA-N 392.455 3.353 30 40 GGEB biogenic CO[C@@H](CNC(=O)C(=O)Nc1cc(Cl)ccc1C#N)c1ccc(Cl)s1 225708582 AQMBJESLIKDNGJ-LBPRGKRZSA-N 398.271 3.369 30 40 GGEB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1S(=O)(=O)c1cccc(C#N)c1 48264873 FSVZFWKJQMKJDO-RHSMWYFYSA-N 393.509 3.015 30 40 GGEB O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1F)C1CCCCC1 5321916 QIWYPYBVRVDVPS-SKOAFDGASA-N 396.509 3.007 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2C)[C@@H]1c1ccccc1 102930942 ICWHCLWPPRPHNK-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB C/C(=N/OCc1nc2c3cnn(-c4ccccc4)c3ncn2n1)c1ccccc1 4888994 IYYHASOMMRTUIQ-YSMPRRRNSA-N 383.415 3.404 30 40 GGEB Cn1cnnc1Sc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1[N+](=O)[O-] 7141241 PVHHKNYFQPGGSN-KRXBUXKQSA-N 382.401 3.476 30 40 GGEB N#C[C@]1(c2nnc3n2CCCCC3)Cc2cc([N+](=O)[O-])ccc2N2CCCC[C@H]21 8718027 IAQJVDOIAZPKIE-GHTZIAJQSA-N 392.463 3.289 30 40 GGEB COc1cccc(-n2c(C)cc(C(=O)[C@H](C#N)C(=O)Nc3ccccn3)c2C)c1 103613693 RENLORSSOZTKHW-IBGZPJMESA-N 388.427 3.459 30 40 GGEB N#C[C@@]1(C(=O)O)[C@H](c2ccc(F)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 218539591 ISBNIDBREBKGJB-HLLBOEOZSA-N 379.796 3.013 30 40 GGEB Cc1nnc2n1-c1sc(C#Cc3cn[nH]c3)c(Cc3ccccc3)c1COC2 1775953466 ZTDJXVBUQNJGQF-UHFFFAOYSA-N 387.468 3.381 30 40 GGEB Cc1cccc(-n2c(C)nnc2SC[C@H](O)COc2ccc(C#N)cc2)c1 12557884 RCMRSQJMOICNDH-GOSISDBHSA-N 380.473 3.288 30 40 GGEB Cc1nn(Cc2ccccc2C#N)c(C)c1S(=O)(=O)N1CCc2ccccc21 11104404 QPYWFFUESXQRGT-UHFFFAOYSA-N 392.484 3.171 30 40 GGEB CC(C)C[C@@H](C(=O)OCc1ccc(C#N)cc1)N1C(=O)c2ccccc2C1=O 6358042 HWLPNUJTYBIPRX-IBGZPJMESA-N 376.412 3.312 30 40 GGEB C=CCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)C(=O)NC1=S 4723869 DYDMBFXZEJLCPR-VSXLWIIGSA-N 378.881 3.330 30 40 GGEB CCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(Cl)ccc1Cl 32639270 ASGHMMKAUAVWKZ-DRYFDLRVSA-N 393.317 3.005 30 40 GGEB C=CCn1c2cc(C)sc2c2cnn(CC(=O)NC3CCCCC3)c(=O)c21 12113516 IARIKBUZXCMJRY-UHFFFAOYSA-N 384.505 3.356 30 40 GGEB C=CCNC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(C)=O)C1 19016928 KSGSQSRVGNYOSC-HSZRJFAPSA-N 377.488 3.222 30 40 GGEB C[C@@H](NCc1cc(O)n2ncc(C#N)c2n1)c1ccc(Br)cc1F 1654621608 DQNOOTOBBCTEPM-SECBINFHSA-N 390.216 3.059 30 40 GGEB N#Cc1cccc(NC(=O)COC(=O)c2cnn3c(-c4ccccc4)ccnc23)c1 32922097 BHQSWHRYLTVMNG-UHFFFAOYSA-N 397.394 3.063 30 40 GGEB O=C1C(=O)N(c2ncccn2)[C@H](c2ccc(Cl)cc2)/C1=C(\O)c1ccco1 102727056 QMLHIWZYLNLSKF-DPEHCCBOSA-N 381.775 3.349 30 40 GGEB C=CCn1c(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)nc2ncccc2c1=O 104682560 JJTSQVQWMIWBHB-JKQORVJESA-N 398.532 3.011 30 40 GGEB Cc1c(C#N)c(NC(=O)CN2CCc3ccccc3C2)n(C[C@@H]2CCCO2)c1C 36384994 KFWWLLWYTBNYIA-FQEVSTJZSA-N 392.503 3.152 30 40 GGEB C[C@@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)c2ccc3c(c2)CCCC3)C1=O 21704961 JBLXPESQPUKWII-QHCPKHFHSA-N 387.439 3.087 30 40 GGEB C[C@H](C#N)CSc1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 65453378 QEJNXHRZYIYWDN-CYBMUJFWSA-N 379.441 3.173 30 40 GGEB Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)c1 8467779 UOGVFYJHXQTFCH-FQEVSTJZSA-N 393.487 3.228 30 40 GGEB CN(Cc1ccc(C#N)cc1)C(=O)NC[C@H]1CCCCN1C(=O)OC(C)(C)C 69245633 CBMGCJRYANXJEU-GOSISDBHSA-N 386.496 3.489 30 40 GGEB Cc1oc(-c2nc(C#N)c(NCC(C)C)o2)cc1S(=O)(=O)N1CCCCC1 40288342 DJXHMCAYAKJPOM-UHFFFAOYSA-N 392.481 3.357 30 40 GGEB C=CCN1c2cccnc2-n2cccc2[C@@]12CCN(C(=O)c1scnc1C)C2 585106977 MOXHYFLKFMLTKK-NRFANRHFSA-N 391.500 3.385 30 40 GGEB C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(OC)cc1)C(C(=O)OC)=C(C)N2 100951125 RELRXULTOKMTNR-HNNXBMFYSA-N 399.472 3.061 30 40 GGEB CCOc1c(Cl)cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OC 657453 ZILXIIDAXJNDQH-YBFXNURJSA-N 382.869 3.368 30 40 GGEB O=C1CCC(N(CC#CCN(C2=NC(=O)CC2)c2ccccc2)c2ccccc2)=N1 1591261 NCRZMCJXGFHYOJ-UHFFFAOYSA-N 398.466 3.441 30 40 GGEB C[C@@H](Oc1ccccc1)/C(O)=N/c1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 2333014 IXPMJODXFQTJDI-CJNGLKHVSA-N 377.404 3.265 30 40 GGEB C=CCn1c(COc2ccc(F)cc2)nnc1SCC(=O)NC1CCCC1 3534995 XJSBZOZAOBYKJS-UHFFFAOYSA-N 390.484 3.333 30 40 GGEB N#CCSc1nnc(-c2nn(Cc3ccccc3)c(=O)c3ccccc23)o1 4525222 SLIGXEODVXJWTR-UHFFFAOYSA-N 375.413 3.110 30 40 GGEB C=C[C@H](C)n1c(=O)c2c(nc3n(-c4ccc(Cl)cc4)c(C)c(C)n23)n(C)c1=O 5076377 CJQMXJSANACSBB-NSHDSACASA-N 397.866 3.156 30 40 GGEB CCN(CCC(=O)Nc1sc2c(c1C#N)CCCC2)CC(=O)NC(C)(C)C 8728727 JGDWYICBAKQGPW-UHFFFAOYSA-N 390.553 3.064 30 40 GGEB CC[C@@H](C(=O)Nc1ccc(CC#N)cc1)N(c1ccc(C)cc1)S(C)(=O)=O 13713371 KLOGUELEAWPKFG-IBGZPJMESA-N 385.489 3.244 30 40 GGEB C=CCn1c(S[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)nc2ccsc2c1=O 14019086 XMEUXFMEVOKBPY-XIKOKIGWSA-N 390.534 3.179 30 40 GGEB O=C1CCCC2=C1[C@@H](c1cccc(O)c1)c1c(nc(N3CCCCC3)[nH]c1=O)N2 20673937 PSVNUEPYBQJZHH-QGZVFWFLSA-N 392.459 3.030 30 40 GGEB CCN1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccc(C)cc2)C3=O)CC1 22575499 QKOSUWUCBDBFTG-STZFKDTASA-N 378.472 3.454 30 40 GGEB C[C@H](OC[C@@H]1CCCCO1)/C(O)=N/S(=O)(=O)C1=Cc2ccccc2CC1 58042190 DFXRYJQSKXOXPR-YOEHRIQHSA-N 379.478 3.234 30 40 GGEB C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cccnc1 72191464 UCWVUMFQKJTUGH-UHFFFAOYSA-N 395.488 3.189 30 40 GGEB C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2CCOC)cc1 102493261 RDEZBKKYORPHKF-LFVOPCPISA-N 397.427 3.221 30 40 GGEB O=C1C(=O)N(C[C@@H]2CCCO2)[C@@H](c2ccc(O)cc2)/C1=C(\O)c1cccs1 102859403 DAKZQLQYRWRESW-SQUHQTGPSA-N 385.441 3.054 30 40 GGEB CC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]21C 263613048 YUWPMEXLKGOSBF-FVEADEHFSA-N 386.488 3.302 30 40 GGEB N#Cc1cccc(C(=O)N2CC3(C[C@@H](CCOc4cccnc4)CCO3)C2)c1 575403449 IHZWJDBETJDLGD-KRWDZBQOSA-N 377.444 3.044 30 40 GGEB COc1ccc2c(=O)n(CC3CCN(Cc4ccc(C#N)cc4)CC3)cnc2c1 1849455614 CULHONXQNDPRSG-UHFFFAOYSA-N 388.471 3.189 30 40 GGEB CCOC(=O)c1ccc[n+](CC(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1 1955997 XHPNTVZGTURYTB-UHFFFAOYSA-O 389.431 3.286 30 40 GGEB CC(=O)O[C@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)C(=O)N(O)C(=O)C[C@@H]4[C@@H]3CC[C@@H]2C1 8616315 LSLMBSPEDYWCBK-JRWZAFSYSA-N 377.481 3.315 30 40 GGEB COc1ccccc1/N=C1\S[C@H](C(=O)Nc2ccccc2OC)CC(=O)N1C 12631557 YPDVQKMOQZIJMI-WXVFVKJXSA-N 399.472 3.294 30 40 GGEB C[C@H](SCc1ccccc1)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 48248843 VSPRENODDABULI-HNNXBMFYSA-N 396.516 3.394 30 40 GGEB C[C@H](C(=O)Nc1cccc(C#N)c1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12981787 JYQUFFCTWVHOBK-SJLPKXTDSA-N 376.460 3.236 30 40 GGEB C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1 12929516 XQABHHYCISLVFL-HZPDHXFCSA-N 375.432 3.126 30 40 GGEB CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)ccc1O[C@@H](C)CC 409405575 ONJSCOOVQKQTIU-UTAYDHNUSA-N 382.460 3.404 30 40 GGEB C=CCN1CCN([C@@H](c2ccc(F)cc2)c2nnnn2C2CCCCC2)CC1 20121633 VEVCYVAGZYUHHN-FQEVSTJZSA-N 384.503 3.210 30 40 GGEB CCNc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1[N+](=O)[O-] 4882060 HFDLKTOKDIUWBW-UHFFFAOYSA-N 396.403 3.130 30 40 GGEB C=CCN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225102976 POLTVDMWZFGLHA-UHFFFAOYSA-N 381.425 3.233 30 40 GGEB CCOC(=O)CC/C(=N\Nc1cc(Cl)c(Cl)cc1N)C(=O)OCC 16682783 KXUDJQSZNTZJKS-XDHOZWIPSA-N 376.240 3.250 30 40 GGEB COc1cccc(C(=O)N2CCN(c3oc(-c4cccs4)nc3C#N)CC2)c1 6754657 OWBVMXUHESHERA-UHFFFAOYSA-N 394.456 3.246 30 40 GGEB Cc1ccc([C@@H]2/C(=C(\O)c3ccc(C)o3)C(=O)C(=O)N2c2ncccn2)cc1 102932941 FRWDHRYRKNJROI-GROYHEBESA-N 375.384 3.313 30 40 GGEB CC1=C(C(N)=S)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(N1)c1ccccc1C2=O 103120555 CCBDMPHSGFWZSQ-INIZCTEOSA-N 377.425 3.449 30 40 GGEB COc1ccc(N2C(=O)C[C@H](Sc3nc4c(cc3C#N)CCCC4)C2=O)cc1 100631603 LZFNQCMQULAUOV-SFHVURJKSA-N 393.468 3.265 30 40 GGEB C=CCNC(=O)[C@H](C)Sc1nc(C)c(C(=O)Nc2ccccc2)cc1C#N 14255005 QXFBHCIFTTXWER-AWEZNQCLSA-N 380.473 3.297 30 40 GGEB COc1ccc(NC(=O)[C@H](C)O/N=C(\C)c2ccc(NC(C)=O)cc2)cc1OC 14397849 KDCZHPUYFUKGFH-KIQCMGJBSA-N 399.447 3.430 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 7246434 KBBNKCKJJUPCBA-UHFFFAOYSA-N 376.434 3.289 30 40 GGEB COc1cc2c(cc1OC)CCN(C)C(C(=O)c1ccc(NC(C)=O)cc1)=C2 62001625 MTOKXQDUQKIRRJ-UHFFFAOYSA-N 380.444 3.374 30 40 GGEB biogenic C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 14010124 HVABMJUEOBZCEA-GZTJUZNOSA-N 396.830 3.454 30 40 GGEB C#CCOc1ccccc1CN1CCC[C@H](c2cc(N)n3nc(C)cc3n2)C1 19129343 PKQSVAMWIHZJHN-KRWDZBQOSA-N 375.476 3.012 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2cccc(O)c2)cc1 9058824 QGFWBFHXPDTXPW-BTYIYWSLSA-N 388.427 3.408 30 40 GGEB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)[C@H]1/C=N/c1ccc(F)c(Cl)c1 4738546 MFMYBGKJUCMJAJ-UKWOGYLFSA-N 377.734 3.220 30 40 GGEB C[C@H](NC(=O)CSc1ncc(C#N)c(N)n1)c1ccc(Cl)c(Cl)c1 7046912 BOOXEFUCLDNLDE-QMMMGPOBSA-N 382.276 3.207 30 40 GGEB Cn1cccc1/C=C1\C(=O)c2ccccc2S(=O)(=O)N1CCc1ccccc1 13571423 JSDGOOREYOKBLT-CAPFRKAQSA-N 392.480 3.496 30 40 GGEB Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2 19118196 LJEPSIBFTUJZSF-UHFFFAOYSA-N 390.487 3.075 30 40 GGEB Cc1cc(C)cc(C(=O)NCC(=O)NCC#Cc2cccc(C(F)(F)F)c2)c1 22476661 AUDYGLJSFDLELZ-UHFFFAOYSA-N 388.389 3.220 30 40 GGEB COC(=O)c1ccc(C(=O)OC)c(/N=C/c2cc(Br)ccc2O)c1 44835838 VIGPHMSPIVETGW-DJKKODMXSA-N 392.205 3.479 30 40 GGEB N#Cc1cccnc1OC1CCN(C(=O)c2ccccc2Br)CC1 96102855 VGGSVNNFQWHDIX-UHFFFAOYSA-N 386.249 3.399 30 40 GGEB O=C1N[C@@H](c2ccc(F)cc2)/C(=C(\O)c2ccc(Br)cc2)C1=O 102594095 HIPJXOZMSJLKBK-MRPLLJTBSA-N 376.181 3.298 30 40 GGEB O=C(/C=C/c1ccccc1)C1=C(O)C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1 1413197 MRAOFNOQOOGCDT-SSGOSMAHSA-N 383.831 3.310 30 40 GGEB COc1ccc(/C=N/n2c(C)nc3c([nH]c4ccc(C)cc43)c2=O)cc1OC 2321183 KEKPOJJCUQPPQO-SSDVNMTOSA-N 376.416 3.394 30 40 GGEB COc1cc(CCNC(C)=O)c(C(=O)/C=C/c2cccc(N(C)C)c2)cc1OC 3999769 GHAHDFYDKNMKHD-MDZDMXLPSA-N 396.487 3.345 30 40 GGEB biogenic CCOc1cc([C@@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3ncnn32)ccc1O 9483816 NPGBVOQBCJDFFM-RNODOKPDSA-N 392.415 3.391 30 40 GGEB C#CCOc1ccccc1CN1CCC(NC(C)=O)(c2ccc(F)cc2)CC1 12344690 ACRSHBSLNXRIHL-UHFFFAOYSA-N 380.463 3.465 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)OCC(=O)N1CCc2sccc2C1 14301766 IMCCWYIUUUHMFS-UHFFFAOYSA-N 395.440 3.054 30 40 GGEB COCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccs1 17146910 FHINPVQZANUUDY-QGZVFWFLSA-N 387.457 3.290 30 40 GGEB C=CCOc1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc(C)on2)cc1OC 32978699 MIAFWEJUNWMGTM-QGZVFWFLSA-N 386.448 3.378 30 40 GGEB CCCCc1ccc(N2/C(=N\C(=O)CCC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 100937033 OEJBRXLCMKRGRO-YTLYVFJMSA-N 394.562 3.431 30 40 GGEB O/N=C1/C[C@]2(N3CCOCC3)[C@H]3CC/C(=N\O)[C@H]2C[C@@]1(Cc1ccccc1)C3 102978012 QNEAMANBFQKGEZ-BOYFSEAQSA-N 383.492 3.171 30 40 GGEB C=CCOc1cccc(CN(C)S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1 223896866 OOYIUZLISZMWCB-UHFFFAOYSA-N 389.473 3.167 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1C#N 225776727 OLGSHPULORRJAV-UHFFFAOYSA-N 382.391 3.310 30 40 GGEB C=CCN1C(=O)N/C(=C/c2cc(OCC)c(OCC)cc2Br)C1=O 409124145 GYKIVEOUGRCOFL-MDWZMJQESA-N 395.253 3.325 30 40 GGEB COc1ccc([C@H]2C3=C(CCCC3=O)Nc3ncnn32)cc1Br 955857 AGZUDRGLRSXEMA-HNNXBMFYSA-N 375.226 3.071 30 40 GGEB CCOc1ccc(Br)cc1[C@H]1C(C(C)=O)=C(C)Nc2ncnn21 959056 BPEKPOGMMBBACM-HNNXBMFYSA-N 377.242 3.317 30 40 GGEB C=CCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc([N+](=O)[O-])cc1 2677580 GEWDIHZPMUIIFZ-ATVHPVEESA-N 385.807 3.321 30 40 GGEB C#CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1Cl)CC(=O)N2 4944270 ZYOZSQVWSSATFF-SNVBAGLBSA-N 380.256 3.276 30 40 GGEB C=CCNC(=O)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 5361468 MXZDSLMLPHOPES-UHFFFAOYSA-N 394.500 3.383 30 40 GGEB C#CCOc1c(Cl)cc(/C=C(/Sc2n[nH]c(C)n2)C(=O)O)cc1OC 6008239 YMNZXFDFQYBFAS-MDWZMJQESA-N 379.825 3.005 30 40 GGEB COc1ccc2nc(NC(=O)C(=O)[C@@H](C#N)c3ccc(CC#N)cc3)sc2c1 6424511 SSNCMUGEXPABSD-HNNXBMFYSA-N 390.424 3.186 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)n1 7735176 VZQDKQYTJGQPAI-VIFPVBQESA-N 375.759 3.162 30 40 GGEB C/N=c1\scc(-c2ccc(O)cc2O)n1/N=C/c1c(C)nc2sc(C)cn12 12796182 YYYDVMUSOQPOIS-GUAVMLSLSA-N 399.501 3.367 30 40 GGEB C=CCNC(=O)c1ccccc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C 29791028 CHCVBDLOCFFVAD-UHFFFAOYSA-N 378.407 3.488 30 40 GGEB O=C(O)c1cc(N/N=C\c2ccc(SCCO)c([N+](=O)[O-])c2)ccc1Cl 32124892 XVIAOUXBSHSQNV-NVMNQCDNSA-N 395.824 3.477 30 40 GGEB Cc1ccc(S(=O)(=O)/N=C(\O)c2cccc(NC(=O)NC3CC3)c2)cc1C 54801314 OZSGTSFRQRXQKZ-UHFFFAOYSA-N 387.461 3.281 30 40 GGEB CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)N1CC(OCc2cccc3ccccc23)C1 72308929 VUUWCSVLUNXROH-GAJHUEQPSA-N 379.504 3.484 30 40 GGEB CCCCCCC[C@]1(C)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 101662207 JLBQDGBFNURCPC-FQEVSTJZSA-N 375.469 3.305 30 40 GGEB C=CCN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224777025 KVACCIVYJJYLBX-UHFFFAOYSA-N 376.390 3.013 30 40 GGEB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cn(CC#N)c4ccccc34)C2=O)cc1C 408845184 LMRBPGDSBZMFFV-XDHOZWIPSA-N 398.422 3.448 30 40 GGEB N#Cc1ccc(NC(=O)COC(=O)c2cccnc2N2CCCC2)cc1Cl 12904028 YZHQNZFENJLISQ-UHFFFAOYSA-N 384.823 3.002 30 40 GGEB N#Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)c1 3609089 BKOVCSLIIRKJEQ-UHFFFAOYSA-N 389.864 3.248 30 40 GGEB C=CCn1c(SCC(=O)[C@@H](C#N)c2nc(C)cs2)nnc1-c1cccnc1 19314181 XUJNJYCYRQGHLI-CQSZACIVSA-N 396.501 3.260 30 40 GGEB CCCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C)ccc1C 32507094 GVKCSCILRPRGBU-RGEMVIMISA-N 380.535 3.095 30 40 GGEB CC(=O)Oc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)c(C#N)c1 225774101 VWSSGIMWOFGMKF-UHFFFAOYSA-N 378.428 3.479 30 40 GGEB N#Cc1ccc(CNC(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)cc1F 573685988 HPFZMNLWRMIUTA-SFHLNBCPSA-N 379.435 3.411 30 40 GGEB Cc1snc(S(=O)(=O)/C(C#N)=N/Nc2ccc(C(F)(F)F)cc2)c1C#N 3027919 VTHMKTWAVMZVPH-CIAFOILYSA-N 399.379 3.065 30 40 GGEB COC(=O)C1=C(C(=O)c2ccc(C)cc2)[C@H](c2ccc(F)cc2)N2NN=NC2=N1 2503052 ISYWQHXKYAUZNJ-KRWDZBQOSA-N 393.378 3.042 30 40 GGEB COc1ccc(C(=O)NC(=S)Nc2sc(C)c(C)c2C#N)c(OC)c1 59294601 NZKSGXFUVNHENB-UHFFFAOYSA-N 375.475 3.381 30 40 GGEB OCCOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F 103538294 QBAXFWRHIPAUNI-UHFFFAOYSA-N 376.137 3.437 30 40 GGEB C=CCN(CC(=O)Nc1ccc(S(C)(=O)=O)cc1)Cc1ccc(Cl)s1 9390298 OGJRSKJIWUTYPB-UHFFFAOYSA-N 398.937 3.432 30 40 GGEB N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2[N+](=O)[O-])CC1 96743041 IZYNUUVXDMNYQL-UHFFFAOYSA-N 379.376 3.037 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCO)[C@@H]2c2ccc(F)cc2)cc1 16737183 UXQSHBHFMYDTQM-LJQANCHMSA-N 399.418 3.185 30 40 GGEB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccccc2C#N)C1=O 8316356 NSWVHRYJFZRMML-HXUWFJFHSA-N 396.834 3.007 30 40 GGEB CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1C(C)C 32507928 PSHWVZZHJHWOQQ-RGEMVIMISA-N 380.535 3.212 30 40 GGEB N#CC(C#N)=c1ccc(=C(C#N)C#N)c2c1C1c3ccccc3C2c2ccccc21 3847074 ZXRXDICPRKKENT-UHFFFAOYSA-N 380.410 3.070 30 40 GGEB biogenic C=C(C)COc1ccc([C@@H](CC(=O)OC)c2oc(C)cc(=O)c2O)cc1OC 96116326 WMNJAKAXXVTXIV-OAHLLOKOSA-N 388.416 3.312 30 40 GGEB biogenic CCn1c(Cc2ccc(C#N)cc2)nnc1N1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 1121762196 JQDTWZJHDZICSE-PZJWPPBQSA-N 390.535 3.214 30 40 GGEB C=CCN1C(=O)/C(=C/c2cc(Br)ccc2OC)C(O)=NC1=S 1200366 HSLUSLXCRWMSTQ-DHZHZOJOSA-N 381.251 3.111 30 40 GGEB COc1ccc(CCNC[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@]5(CO5)[C@@H]4C[C@@H]32)cc1 12660028 SBUJQWNPHRABOX-KVOBWYIXSA-N 399.531 3.354 30 40 GGEB biogenic Cc1nn2c(nnc3c(=O)n(-c4ccccc4C#N)ccc32)c1-c1ccc(F)cc1 19962721 SODHLERLMOSMCM-UHFFFAOYSA-N 396.385 3.415 30 40 GGEB CCc1ncnc(N(C)CC2CCN(c3nc4c(cc3C#N)CCC4)CC2)c1F 1888875842 MXUGJXYDHLZFLQ-UHFFFAOYSA-N 394.498 3.286 30 40 GGEB N#CC1(C(=O)N2CC[C@@H]3OCCC[C@@]3(COCc3ccncc3)C2)CCCC1 1565543040 JHSGEMCAZUXEJV-UGKGYDQZSA-N 383.492 3.080 30 40 GGEB CCOC(=O)N1C[C@H](C)/C(=N/Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 8663703 UHQXUOPXEWVVTK-ZXOZMNBCSA-N 379.373 3.158 30 40 GGEB CC(=O)C1=C(C)N(C2CCCCC2)C(=O)[C@@]1(NC(=O)CC(C)C)C(F)(F)F 12402669 YOVUDRVXBWBXFW-GOSISDBHSA-N 388.430 3.488 30 40 GGEB COc1ccccc1NC(=O)C1=C(C)Nc2c(C#N)cnn2[C@H]1c1cccnc1 101476979 CZDIGESPVHPIPP-IBGZPJMESA-N 386.415 3.086 30 40 GGEB N#Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)cs1 6680785 LFHJBMQWGOFNQH-UHFFFAOYSA-N 389.502 3.437 30 40 GGEB O=C(O/N=C/c1ccc(Br)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2052811 PLIHQMCBPVPWFZ-LZYBPNLTSA-N 394.137 3.456 30 40 GGEB C=CCNC(=O)C1(NC(=O)Cc2csc(-c3ccc(C)o3)n2)CCCCC1 58310300 RQUHYNYVJUOUMZ-UHFFFAOYSA-N 387.505 3.375 30 40 GGEB C=CCn1c(SCC(=O)NC(=O)NC(C)(C)C)nnc1C1CCCCC1 3287517 UYHROCNLEHPOIZ-UHFFFAOYSA-N 379.530 3.228 30 40 GGEB CN1CCN(c2ccc([N+](=O)[O-])cc2/C=N/Nc2nc3ccccc3s2)CC1 4106518 FYYPXVZPVQAMLL-DEDYPNTBSA-N 396.476 3.402 30 40 GGEB O=C1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)C2=C(CCCC2=O)N1 4487061 VOQYTGWYHDRSMM-SECBINFHSA-N 386.757 3.441 30 40 GGEB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O 409255318 YSWFTGROCOSXFY-WOJGMQOQSA-N 391.427 3.449 30 40 GGEB CN(C[C@@H](c1cccs1)N1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1 89340156 FNRONSXLMRCDSA-KRWDZBQOSA-N 388.468 3.296 30 40 GGEB C=CCOc1ccc(CN(C)S(=O)(=O)c2cc(C(=O)OC)ccc2C)cc1 223901135 BPKMIKQWZKCPHD-UHFFFAOYSA-N 389.473 3.167 30 40 GGEB CC(C)(C)c1ccc(=O)n(C2CCN(c3nc4c(cc3C#N)CCC4)CC2)n1 1775995412 UOQVVSCMRMXPHT-UHFFFAOYSA-N 377.492 3.138 30 40 GGEB C[C@H](CC(=O)OCc1cccc(C#N)c1)CC1=Nc2ccccc2S(=O)(=O)N1 575616635 VBRQIIUICDWVSC-AWEZNQCLSA-N 397.456 3.040 30 40 GGEB COc1ccc(/C=C2\Oc3cc(C)c(CN4CCN(C)CC4)c(O)c3C2=O)cc1 22854525 XJXXVHKHAONLQS-MOSHPQCFSA-N 394.471 3.073 30 40 GGEB O=C(C1=C(O)C(=O)N(c2nncs2)[C@@H]1c1cccs1)c1cccs1 1767224 YBZMHMCXAJUIEE-LLVKDONJSA-N 375.456 3.444 30 40 GGEB COCc1c([N+](=O)[O-])c(/C=C/c2ccc(Br)cc2)[nH]c(=O)c1C#N 6381588 VHAPFLHEMZJJGA-QPJJXVBHSA-N 390.193 3.234 30 40 GGEB CCOc1ccc(C(=O)C2=C(O)C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccco2)cc1 5489191 BTYOYAJXPIMDRT-APWZRJJASA-N 397.427 3.436 30 40 GGEB FC(F)(F)c1ccc(/C=N/n2c(S)nnc2-c2n[nH]c3c2CCC3)cc1 5626240 FASQSRCSNNWNIE-DNTJNYDQSA-N 378.383 3.347 30 40 GGEB C=CCN(CC(=O)N[C@@H](C)CC)S(=O)(=O)c1ccc(Cl)c(Cl)c1 6786509 QWCDVPZKLLIIPX-NSHDSACASA-N 379.309 3.085 30 40 GGEB Fc1c(F)c(F)c(/C=N/Nc2nc3ccccc3n3cnnc23)c(F)c1F 4817408 CNBMANHQKNAAOC-RREIPUBJSA-N 378.264 3.419 30 40 GGEB N#Cc1ccc(N2CCCN(C(=O)N[C@H]3C[C@@H]3c3cccc(F)c3)CC2)cc1 67564713 JFBNERKYYWPXAJ-RTWAWAEBSA-N 378.451 3.475 30 40 GGEB C=CCN(C(=O)CCSC)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1 7988361 ZRXQTYXKMRFDIO-UHFFFAOYSA-N 396.559 3.486 30 40 GGEB CCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Cl)cccc1Cl 32634348 ZMAXDVAVGLQQQJ-YPLHQEGJSA-N 393.317 3.005 30 40 GGEB COc1cc(/C=N/C2C3(C)CN4CC2(C)CN(C3)C4c2ccco2)ccc1O 32094753 RNCXOVAYAJDCEW-AUEPDCJTSA-N 381.476 3.138 30 40 GGEB C[C@H]1CCCCN1C(=O)Cn1cc(C#N)c(=O)c2cc(Br)ccc21 103262561 SFTGISUATZSUJI-LBPRGKRZSA-N 388.265 3.037 30 40 GGEB CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)[C@H]1c1ccc(O)c([N+](=O)[O-])c1 19287948 AEFBQAZZYUSLKX-QGZVFWFLSA-N 386.404 3.222 30 40 GGEB N#C[C@@H]1C(=O)Nc2nc(Nc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc(Cl)cc1 19819353 DGJRJCDPPXOSJR-LSDHHAIUSA-N 391.818 3.391 30 40 GGEB C=CCNS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(SC)cc2)c1 21915026 STBKZPUZGOPAKU-UHFFFAOYSA-N 390.530 3.145 30 40 GGEB N#Cc1cnc(SCC(=O)c2ccc(NC(=O)c3ccccc3)cc2)nc1N 23106209 KPVKLUBOTHNXLM-UHFFFAOYSA-N 389.440 3.158 30 40 GGEB CC(C)[C@](C)(C#N)NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 23220061 KNQMFIOGMSBIBG-SGTLLEGYSA-N 399.322 3.307 30 40 GGEB O/C(=N\c1ncn[nH]1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F 33355101 OKZOHKDIUPHPRZ-BYPYZUCNSA-N 396.116 3.428 30 40 GGEB CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@]2(C#N)CCC[C@H](C)C2)cc1Cl 96013460 GFDCFXPEGJDFTF-MGPLVRAMSA-N 387.864 3.188 30 40 GGEB C#CCn1/c(=N/C(=O)c2cc3ccccc3oc2=O)sc2cccc(OC)c21 100910188 JZVSNEGCQATHSP-DQRAZIAOSA-N 390.420 3.192 30 40 GGEB CCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(OC)c2)C1=O 101662204 JLBQDGBFNURCPC-HXUWFJFHSA-N 375.469 3.305 30 40 GGEB O=C1C(=O)N(C[C@H]2CCCO2)[C@@H](c2cccc(F)c2)/C1=C(\O)c1ccccc1 102880275 ZOVPLRSTXLETKT-BCTIHFFESA-N 381.403 3.426 30 40 GGEB COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)[C@@H]1c1ccc(C)cc1 102881388 WAYHKHITUJVNGF-NHFXJNLRSA-N 395.455 3.462 30 40 GGEB Cc1ccc(S(=O)(=O)n2ncc3c(C#N)cc(Br)cc32)cc1 113869947 CCJHCPAOQAJKCH-UHFFFAOYSA-N 376.235 3.216 30 40 GGEB COc1ccc(/C=C\c2c(C(=O)O)nn(-c3ccc(C)cc3)c(=O)c2C#N)cc1 409206132 HSMPQWSCONAPDP-GHXNOFRVSA-N 387.395 3.290 30 40 GGEB COC(=O)Cc1ccccc1OCc1cccc(B2OC(C)(C)C(C)(C)O2)c1 584907583 PJTPZOIGIBFBAC-UHFFFAOYSA-N 382.265 3.280 30 40 GGEB CN(C)c1ccc([C@@H](C#N)NCCCN[C@@H](C#N)c2ccc(N(C)C)cc2)cc1 1615563 HMLWEEUZLYKLMM-ZRZAMGCNSA-N 390.535 3.217 30 40 GGEB N#Cc1ccc(OCC(=O)OCC(=O)c2ccc(Br)s2)cc1 8010401 YENZKEDZMCWJAA-UHFFFAOYSA-N 380.219 3.187 30 40 GGEB Nc1nc(N2CCCCC2)nc2c1[C@H](c1ccc(O)cc1)C1=C(CCCC1=O)N2 20673737 LELNTIHYTFJQKE-QGZVFWFLSA-N 391.475 3.319 30 40 GGEB CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCC(N)=O)cc3)S2)cc1 408905210 VFTBVJTWEUMYDA-BOPFTXTBSA-N 381.457 3.005 30 40 GGEB CCOC[C@]1(C#N)[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(C)cc1 218106335 LNERLULUPMWVLJ-QHAWAJNXSA-N 385.485 3.490 30 40 GGEB CCCCCOc1ccccc1CN1C(=O)/C(=N\NC(N)=S)c2ccccc21 46085128 VTSACTFEMGFKEJ-NMWGTECJSA-N 396.516 3.340 30 40 GGEB Cc1oc(-c2nc(C#N)c(NC3CCCCC3)o2)cc1S(=O)(=O)N(C)C 40288538 WDFWJBOFNRKAKG-UHFFFAOYSA-N 378.454 3.110 30 40 GGEB COc1cccc(C(C[C@H]2c3c(cc4c(c3OC)OCO4)CCN2C)=NO)c1 252679224 JRQDNYRAOVPLFL-KRWDZBQOSA-N 384.432 3.230 30 40 GGEB biogenic CN1/C(=C\C(=O)Cn2ncc(Cl)c(Cl)c2=O)C(C)(C)c2ccccc21 5635740 RBTLYEHQCXVJKG-NVNXTCNLSA-N 378.259 3.431 30 40 GGEB C=CCOC(=O)c1cc(-c2ccc(/C=C3\NC(=S)NC3=O)o2)ccc1Cl 13601945 SMIWRILWBDJESB-ZROIWOOFSA-N 388.832 3.288 30 40 GGEB COc1ccc(/C=C2\CS(=O)(=O)C/C(=C/c3ccc(OC)cc3)C2=O)cc1 18157225 NXXRLIAVYCJUJL-MJZABRMRSA-N 384.453 3.168 30 40 GGEB COC(=O)c1cc(C)nc2nc(SCCc3ccc(C#N)cc3)nc(O)c12 1651780392 IANBDQMLYNLCBE-UHFFFAOYSA-N 380.429 3.032 30 40 GGEB COc1ccc(/N=C(/C)N(C)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1 100471039 BNTRNCNLVVLOFR-STZFKDTASA-N 395.912 3.309 30 40 GGEB C=CCOc1ccc([C@H]2/C(=C(\O)c3ccccc3)C(=O)C(=O)N2CCOC)cc1 102883011 OSHLRTDATJAHOC-NHFXJNLRSA-N 393.439 3.320 30 40 GGEB O=C1N/C(=N/N=C/c2cccc([N+](=O)[O-])c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 3193235 KIPDOPVWEFBJGV-PFVOVTSXSA-N 397.372 3.097 30 40 GGEB Cc1cccn2c(=O)c3cc(C#N)/c(=N/C(=O)c4ccccc4)n(C(C)C)c3nc12 102903184 UKTFBZAZGLCEJM-QOMWVZHYSA-N 397.438 3.151 30 40 GGEB CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2sc3c(c2C#N)CCCC3)C1 7436814 CSHNGKOMAPCEDA-AWEZNQCLSA-N 389.521 3.102 30 40 GGEB Cc1csc([C@@H](C#N)C(=O)CSc2nc3ccccc3c3nc(C)nn23)n1 8750366 IMOSDTGUSKXEQM-ZDUSSCGKSA-N 394.485 3.319 30 40 GGEB CCOC(=O)[C@]1(C#N)[C@@H](S(=O)(=O)c2ccccc2)[C@@H]1c1cccc(Cl)c1 218339208 JBZKBZOGHKYRIT-LNLFQRSKSA-N 389.860 3.353 30 40 GGEB CC/N=C1\S[C@H](C(=O)Nc2ccc(Br)cc2)CC(=O)N1CC 838762 SERPWHDDQUNOCN-JTFSYWPOSA-N 384.299 3.118 30 40 GGEB N#CCOc1ccc(NC(=O)c2ccccc2I)cc1 23150607 OVWUPDJVYCGZQT-UHFFFAOYSA-N 378.169 3.446 30 40 GGEB O=C1/C(=N\Nc2cccc([N+](=O)[O-])c2)C(C(F)(F)F)=NN1c1ccccc1 4712270 QXIFJEDUASMUPP-BKUYFWCQSA-N 377.282 3.328 30 40 GGEB N#Cc1c(SCC(=O)Nc2ccc(F)c(F)c2)sc2c(O)cc(=O)[nH]c12 4945432 BBWROUQNVWMAGJ-UHFFFAOYSA-N 393.396 3.176 30 40 GGEB C=C(C)COc1ccc([C@H](CC(=O)OC)c2c(O)cc(C)[nH]c2=O)cc1OC 72402809 SAXGFEREXYOOPD-HNNXBMFYSA-N 387.432 3.047 30 40 GGEB COc1cc(/C=N/n2c(C)n[nH]c2=S)ccc1OCC(=O)Nc1ccccc1 41224159 XTIKNECHBCPMBY-RGVLZGJSSA-N 397.460 3.157 30 40 GGEB O=C(O)c1ccc(-c2ccc(/C=N/N3C(=O)[C@@H]4[C@@H]5C=C[C@H](CC5)[C@H]4C3=O)o2)cc1 222248267 RTWHMHDTOXWSFN-LABQMRPHSA-N 390.395 3.176 30 40 GGEB COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C#N 225770897 IWBTXTGLCOVFOA-UHFFFAOYSA-N 381.388 3.162 30 40 GGEB C=CCN1CCN(C(=O)C2CCC2)[C@@H](Cc2cccc(-c3ccncc3)c2)C1=O 257334600 YGQAXNWYTDRZNO-QFIPXVFZSA-N 389.499 3.317 30 40 GGEB O=C(NCC#CCOc1cccc(C(F)(F)F)c1)[C@@H]1COc2ccccc2O1 90610470 NVGCWAKDHSQHHV-SFHVURJKSA-N 391.345 3.044 30 40 GGEB COC(=O)[C@@H](C)Oc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1)C2=O 6072790 MGZDIUKPGJDNQU-FGHSJCFPSA-N 384.384 3.260 30 40 GGEB biogenic C=CCSc1nnc(NC(=O)[C@@H]2CC(=O)N(Cc3ccc(C)cc3)C2)s1 5938461 ZVMXYQQZGIHEJW-CQSZACIVSA-N 388.518 3.112 30 40 GGEB C=CCn1c(S[C@@H](C)c2nnnn2-c2ccccc2)nc2sccc2c1=O 40127275 UKAMDJRPBPMZNJ-LBPRGKRZSA-N 396.501 3.473 30 40 GGEB C=CCn1c(S)nnc1-c1sc(NC(=O)c2ccc3c(c2)CCO3)nc1C 31910733 IHQDSQZZYBEENZ-UHFFFAOYSA-N 399.501 3.372 30 40 GGEB Cc1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c(C#N)c2c1CCCC2 1471613 XODUZAZMRIFTJI-UHFFFAOYSA-N 395.484 3.278 30 40 GGEB COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(=O)C[C@H]2c1cccc(Cl)c1Cl 4986771 PKIQZFCTUFXIAH-QEVYDEPDSA-N 382.243 3.249 30 40 GGEB COc1ccccc1NC(=S)N/N=C1/C(=O)N(CC(C)C)c2ccccc21 102977322 FJNWBEOOGRIZKY-RELWKKBWSA-N 382.489 3.389 30 40 GGEB N#Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1 12871835 DWDPXCPJCVRWEJ-UHFFFAOYSA-N 397.500 3.304 30 40 GGEB COC(=O)[C@@H](C#N)c1nc2ccccc2nc1NCC1(N(C)C)CCCCC1 12900205 NYJIKSPZIVQZPD-HNNXBMFYSA-N 381.480 3.086 30 40 GGEB C#CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1OCC 14009748 NATHKJJGIXNOHX-LDADJPATSA-N 394.402 3.329 30 40 GGEB Cn1c(C2=C(N)N(c3ccc(Br)cc3)CC2=O)nc2ccccc21 7995062 IRLPHJWFLGWXKB-UHFFFAOYSA-N 383.249 3.052 30 40 GGEB N#Cc1ccccc1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 8310305 MRWWLQUHKSXOSR-IBGZPJMESA-N 377.444 3.495 30 40 GGEB C=CCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1cccc(C)c1 8705562 YVOVWJVZTXJYAY-QFIPXVFZSA-N 375.428 3.099 30 40 GGEB N#CCSc1nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@H]3C4)cc2s1 408751300 YYOKCULTCSISHF-CHPZLBCBSA-N 385.470 3.373 30 40 GGEB COc1ccccc1N=C1NC(=O)/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)S1 408721003 HZJBKKVNMXIJEU-APSNUPSMSA-N 399.384 3.224 30 40 GGEB COC(=O)C1=C(C(=O)c2cccs2)[C@H](c2ccc(Cl)s2)NC(=S)N1 126841079 QZPHDVPDGNJVNQ-NSHDSACASA-N 398.918 3.292 30 40 GGEB C=CCNC(=O)[C@]1(Cc2ccccc2-c2cncnc2)CCCN(C(=O)CC)C1 19498683 ODYMMIGQFBJHKH-QHCPKHFHSA-N 392.503 3.007 30 40 GGEB CCOCCCn1c(SCC#N)nc2ccc(Br)cc2c1=O 7441328 JZQLDFYOTCRICB-UHFFFAOYSA-N 382.283 3.201 30 40 GGEB COC(=O)/C=C1/S/C(=N\c2ccc(C(=O)O)cc2)N(Cc2ccccc2)C1=O 4700865 JYMFNYKGSXQDOB-JVTDZOJGSA-N 396.424 3.205 30 40 GGEB CCCCN(CCCC)c1nc2ccccc2nc1[C@@H](C#N)C(=O)NCCOC 4836905 FGGCUGJKKDQLFP-QGZVFWFLSA-N 397.523 3.406 30 40 GGEB COc1cc(OC)c(OC)cc1/C=N\N1CCN(Cc2ccc(C)cc2)CC1 28350743 HYWPUSIMBKBTHF-HAHDFKILSA-N 383.492 3.173 30 40 GGEB Cn1c(SCC(=O)NCc2cccc(C#N)c2)nnc1-c1ccccc1Cl 509922654 DYYACRROTWDLCN-UHFFFAOYSA-N 397.891 3.416 30 40 GGEB CCO[C@H]1Oc2ccc([N+](=O)[O-])cc2C(=O)/C1=C/Nc1ccccc1C(=O)O 5332793 LNTOTRAETBKUDO-CPPNXCSESA-N 384.344 3.227 30 40 GGEB CC(C)(C#N)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 3791566 OESNKOKTKJVMIR-WSBQPABSSA-N 383.536 3.318 30 40 GGEB COc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCC(=O)O)cc1 18355023 JQGIYLRYFYGZBN-IBGZPJMESA-N 395.411 3.057 30 40 GGEB COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)c(C#N)c(=O)[nH]2)cc1OC 6304486 XKABHLMTFWNUBT-UHFFFAOYSA-N 376.368 3.326 30 40 GGEB COc1ccccc1[C@@H]1N=C(SCc2ccccc2C#N)NC(C)=C1C(N)=O 4893095 AOQMVJSOFTXEQK-IBGZPJMESA-N 392.484 3.260 30 40 GGEB C=CCCO[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1 57992902 MIBYILHCQYVWJO-INIZCTEOSA-N 380.510 3.089 30 40 GGEB COc1ccc(OC)c([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(C)nc(=O)c32)c1 44974059 QWGRDJFTVGEHJB-QGZVFWFLSA-N 395.459 3.296 30 40 GGEB Cc1cc(C)c(C#N)c(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n1 6650415 PTNFHQJEBFZLMW-CQSZACIVSA-N 380.473 3.426 30 40 GGEB CCC/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C)c1ccccc1 4730283 ICVRNPCWOZPVPG-LFVJCYFKSA-N 396.495 3.086 30 40 GGEB C[C@@H](OC[C@H]1CCCO1)/C(O)=N/S(=O)(=O)c1cc(Cl)sc1Cl 69284317 ZLTZJYRVUSXMTA-HTQZYQBOSA-N 388.294 3.284 30 40 GGEB Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 95980239 JFDJCSWPCJSYQD-OAHLLOKOSA-N 390.447 3.266 30 40 GGEB CC(=O)c1ccc(/N=C/[C@H]2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 408741189 KLYDBIXYIZOEHN-CTJICSLTSA-N 399.859 3.309 30 40 GGEB COc1ccc([C@H]2/C(=C(\O)c3ccc(Cl)cc3)C(=O)C(=O)N2C)c(OC)c1 102802203 IJHHDAHYUDWAKV-HVESIFNPSA-N 387.819 3.409 30 40 GGEB C=CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1cnccn1 2403646 NVFQSDBOPXRTSP-UHFFFAOYSA-N 384.440 3.099 30 40 GGEB COc1c2c(cc3c1[C@H](C/C(=N/O)[C@H]1CCOC(C)(C)C1)N(C)CC3)OCO2 5727749 MBZNYRATEUMHTI-HZKZJNNCSA-N 390.480 3.378 30 40 GGEB biogenic C[C@H](OC(=O)COc1cccc2c1OC(C)(C)C2)C(=O)Nc1cccc(C#N)c1 6032579 SFULWOMLWZEYSB-AWEZNQCLSA-N 394.427 3.221 30 40 GGEB COc1ccccc1CNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@]4(CO4)[C@@H]3C[C@H]12 6623803 AQSSCMNLIVYIHH-SGPZBQGBSA-N 385.504 3.312 30 40 GGEB C[C@@]1(c2ccc(F)c(F)c2)NC(=O)N(Cc2cn3ccccc3c2C#N)C1=O 12853110 ABMQKANTNXXDER-FQEVSTJZSA-N 380.354 3.056 30 40 GGEB COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccco2)cc1OC 18218037 LNHZWBGOBBBYFG-RBZFPXEDSA-N 392.415 3.304 30 40 GGEB C=CCOc1ccccc1[C@H]1CC(O)=Nc2c1c(C)nn2-c1ccc(O)nn1 31818571 GWWYINWPQKTOHE-CQSZACIVSA-N 377.404 3.365 30 40 GGEB N#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCCCC1 42677877 XMVBBPYBXXBAFC-UHFFFAOYSA-N 393.274 3.436 30 40 GGEB COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ncccn3)[C@H]2c2cccs2)cc1 102435912 XBOMBPCRAWQMCJ-UYTDBDHRSA-N 393.424 3.173 30 40 GGEB C=CCNC(=S)Nc1nc(N2CCC[C@H](C)C2)cc(N2CCC[C@@H](C)C2)n1 260710346 GUMGUZPMZMXJFS-IYBDPMFKSA-N 388.585 3.422 30 40 GGEB CCc1nc(C#N)c(Br)nc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C1 585672096 VQPASJCFULXAOW-SNVBAGLBSA-N 397.273 3.061 30 40 GGEB C#CCCC1(CCNC(=O)c2cn3c4c(cc(F)cc4c2=O)CC[C@H]3C)N=N1 1150161403 HXRLCJXLRYWJHM-CYBMUJFWSA-N 380.423 3.343 30 40 GGEB C=CCNc1nc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cs1 8877186 XFOXXARVGHOZQH-UHFFFAOYSA-N 387.377 3.056 30 40 GGEB C[C@@H](C(=O)Nc1ccccc1C#N)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12328805 MHGRJFQCCMDUDZ-WMZOPIPTSA-N 376.460 3.236 30 40 GGEB COc1ccc(CC(=O)/C=C2\NCCc3cc(OC)c(OC)cc32)c(OC)c1 4088780 DABXKNHWCYNMRW-ODLFYWEKSA-N 383.444 3.019 30 40 GGEB biogenic CSCC[C@@H](NC(=O)COc1ccccc1C#N)c1nc2ccccc2[nH]1 6506214 VEVQISMKZBEPRU-QGZVFWFLSA-N 380.473 3.424 30 40 GGEB NS(=O)(=O)c1ccc(N/N=C/c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 4934845 UQGTYPIDHWHKQW-FYJGNVAPSA-N 396.428 3.355 30 40 GGEB C=CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408802656 ZYHRPQCBUUUIRP-LFIBNONCSA-N 398.802 3.277 30 40 GGEB C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](c1ccccc1F)c1nccn1C 9156861 UTYAMXXVJYVKHJ-LIRRHRJNSA-N 378.407 3.104 30 40 GGEB O=C1NC(=O)N(c2cccc(C(F)(F)F)c2)C(=O)[C@@H]1/C=N/Cc1ccccc1 408537817 XJYLCVLMDKMRTO-QHBIDGPYSA-N 389.333 3.175 30 40 GGEB COc1cc(/C=N\Nc2ncccc2[N+](=O)[O-])cc(Br)c1OC 409084470 CVWIGKSHFNPGHS-IUXPMGMMSA-N 381.186 3.216 30 40 GGEB C#CCOc1c(Cl)cc(/C=C(\Sc2nc(C)n[nH]2)C(=O)O)cc1OC 35043870 YMNZXFDFQYBFAS-JYRVWZFOSA-N 379.825 3.005 30 40 GGEB C=CCN1CCN(C(=O)CCC)[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O 72351855 QKWNGCOGJXZKPV-NRFANRHFSA-N 377.488 3.317 30 40 GGEB CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(N3CCOCC3)c2CO1 95474444 DGQAMCTVJZZJAJ-UHFFFAOYSA-N 392.503 3.296 30 40 GGEB N#Cc1c(NC(=O)CCN2C(=O)[C@H]3CCCC[C@H]3C2=O)sc2c1CCCC2 102440327 JLUAVKKEKXEQKB-OKILXGFUSA-N 385.489 3.002 30 40 GGEB COc1ccc(/C=N/n2cc(-c3ccccc3)nc2N(C(C)=O)C(C)=O)cc1 1501916 VIATXEZQVYVSNP-LPYMAVHISA-N 376.416 3.340 30 40 GGEB CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)[C@H](C)C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 4758893 KGOJBGFCQASCHE-WDMHLYMZSA-N 378.484 3.147 30 40 GGEB Cc1ccc([C@H]2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCCN(C)C)o1 5595842 ACSOKSJGMJKMLW-GHNGSUTGSA-N 386.423 3.101 30 40 GGEB NC(=S)Nc1ccc(/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)cc1 6276585 MFYLDXCYRRBDOK-REZTVBANSA-N 395.238 3.469 30 40 GGEB CN(C)C(=O)COc1ccc(C(=O)/C=C/c2cc(Cl)c3c(c2)OCO3)cc1 8078763 NCBUBCMSNRPUGA-FPYGCLRLSA-N 387.819 3.432 30 40 GGEB CCOc1ccc(/C=N/OCC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 14314720 JMBJMXUFLPQFPI-IKMPRTQCSA-N 384.432 3.084 30 40 GGEB C=CCN(C(=O)c1cc(S(=O)(=O)N2CCCCC2)cn1C)c1ccccc1 40086865 TWUYMUASMJVRTM-UHFFFAOYSA-N 387.505 3.033 30 40 GGEB COc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3[nH]c(=S)[nH]c(=O)c32)ccc1O 44973897 BUPRLLLXHLOXCY-AWEZNQCLSA-N 399.472 3.347 30 40 GGEB COc1cccc2cc(C(=O)Nc3ccc(F)cc3F)/c(=N/OC(C)=O)oc12 67350842 LRFLQNNALANQLX-NMWGTECJSA-N 388.326 3.351 30 40 GGEB O=C1C(=O)N(CCCn2ccnc2)[C@@H](c2ccc(F)cc2)/C1=C(\O)c1ccco1 102860606 FVTATMMZMVRWCU-GHNGSUTGSA-N 395.390 3.127 30 40 GGEB CCOC(=O)c1c(C)oc2c1/C(=C\NCCCC(=O)O)C(=O)c1ccccc1-2 103164889 FSUWXUJZSBKXAY-RVDMUPIBSA-N 383.400 3.423 30 40 GGEB C#CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408809857 SICCRKYEJPSKGU-FOWTUZBSSA-N 380.787 3.018 30 40 GGEB