smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCOc1cc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1O 2364611 ADITYYFLLLZPID-GYBQTFJISA-N 399.515 2.179 10 40 GECB CN(C)c1ccc(CN(C)S(=O)(=O)CCn2c(=O)oc3ccccc32)cc1 8728679 CVMOBQXNGNFLEL-UHFFFAOYSA-N 389.477 2.122 10 40 GECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N(C)C)ccc21 13008556 ITOIXPDMWCEZGR-HXUWFJFHSA-N 386.540 2.237 10 40 GECB CCOC(=O)c1c(NC(=O)C[C@H]2SC(=O)NC2=O)sc2c1CCCC2 26770220 JPARSFMECHTNPL-SNVBAGLBSA-N 382.463 2.484 10 40 GECB O=C(c1ccnnc1)N1Cc2cc(N3CCOCC3)ccc2[C@@H]1c1cnco1 96087006 ANZXXCOIDCMZTP-LJQANCHMSA-N 377.404 2.047 10 40 GECB CN1C(=O)/C(=C/NCC[C@H](c2ccc(F)cc2)c2ccco2)C(=O)NC1=S 5887545 UHOGMUITTBLQBY-XDPMZMSMSA-N 387.436 2.287 10 40 GECB C/N=c1/scc(-c2cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c2C)n1C 105777163 YUPNXCVBIHNSBH-HTXNQAPBSA-N 376.507 2.339 10 40 GECB COc1ccc(/C=C2/SC(=S)N(CC(=O)NC[C@H]3CCCO3)C2=O)cc1 2634979 ZWUCOKCDFUFXBE-UWZYDCLUSA-N 392.502 2.192 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(OC)c3)C2=O)cc1 4534855 BHJNSTGXBLWHPT-GDNBJRDFSA-N 382.372 2.379 10 40 GECB O=S1(=O)CC[C@H](N(Cc2cccs2)Cc2cc3c(cc2O)OCO3)C1 12943897 IHMVCSXUDBWPAD-ZDUSSCGKSA-N 381.475 2.372 10 40 GECB CCOC(=O)C1=C(C)N=c2sc(=C(C)C)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 832625 XKRCKFGYMRLKNI-KRWDZBQOSA-N 399.516 2.226 10 40 GECB Cn1cc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)c2ccccc21 13786530 SFGNBDSMOGNYCR-UHJIQDEKSA-N 390.442 2.307 10 40 GECB CN1CCc2cc([C@H](CNC(=O)COc3ccccc3)N3CCOCC3)ccc21 22733226 GWGPQUSCJBVQBM-QFIPXVFZSA-N 395.503 2.247 10 40 GECB COc1cccc(-n2c(C)cc(C(=O)N(C3CC3)[C@H]3CC(=O)NC3=O)c2C)c1 104110912 FHGSFIOTSBBVAZ-SFHVURJKSA-N 381.432 2.122 10 40 GECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 4679681 XXABFUSNBHEXIS-JXMROGBWSA-N 387.348 2.271 10 40 GECB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 4330393 KZEFMNVBMFIVBH-GOSISDBHSA-N 384.480 2.119 10 40 GECB O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(SCCO)c([N+](=O)[O-])c1 6864324 XKDPVNHFXXUTSZ-GXDHUFHOSA-N 385.401 2.141 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccccc4C)n3)CC2)cc1 4500350 GAXZIVWHAKXZBU-UHFFFAOYSA-N 392.463 2.006 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCC3)ccc21 8964057 MDRUAVVSNVVCBL-OAQYLSRUSA-N 398.551 2.381 10 40 GECB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCN1CCOCC1 100422914 TYMQKXJBHNBJBT-LGMDPLHJSA-N 385.493 2.215 10 40 GECB CN1C(=O)C(=Cc2cc(Cl)cc(Br)c2O)C(=O)N(C)C1=S 59139265 GSGZHLIZLVGEDH-UHFFFAOYSA-N 389.658 2.407 10 40 GECB COC(=O)/C=C1/SC(N2N=C(c3ccccc3)C[C@]2(O)C(F)(F)F)=NC1=O 1415543 WGUULRUXHQIXMI-USYSOWRXSA-N 399.350 2.034 10 40 GECB CCOc1cc(/C=C2/SC(NC(C)=O)=NC2=O)cc(Cl)c1OCC(=O)O 409077620 FPZFLBLKCMFQAD-WUXMJOGZSA-N 398.824 2.309 10 40 GECB COc1ccc(N2CCN([C@H](C)C(=O)NC(=O)NC3CCCCC3)CC2)cc1 57548137 MFYASWXNYMFAFP-MRXNPFEDSA-N 388.512 2.364 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3cccc(C)c3)CC2)cc1 72331173 QWEFCPXBZXHTKF-UHFFFAOYSA-N 382.460 2.438 10 40 GECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 20841869 VPLAOHISIALBSP-DNKLCNGGSA-N 397.479 2.408 10 40 GECB COc1ccccc1NC(=O)[C@@H](/N=N\c1ccc(S(N)(=O)=O)cc1)C(C)=O 104124330 VUKISKOUVRLPQA-JHBCHSCWSA-N 390.421 2.023 10 40 GECB Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc2c(c1)OCO2 2634879 ZCCPUYXYPQVEEF-UHFFFAOYSA-N 385.372 2.437 10 40 GECB COc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733410 UGARHPCUDZKBNK-QFIPXVFZSA-N 395.503 2.491 10 40 GECB COc1cc(/C=C2/C(=O)N(c3ccc(C(N)=O)cc3)N=C2C)cc(OC)c1O 4698979 NIIJPTSZMPXYIB-OVCLIPMQSA-N 381.388 2.314 10 40 GECB CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccccc2)N2CCOCC2)cc1 21042714 UWVVPVGEGUHOFC-HXUWFJFHSA-N 389.521 2.104 10 40 GECB O=Cc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 5375037 DPVYIAGWZAMJRT-ZWIPKHHJSA-N 379.415 2.018 10 40 GECB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1 16810415 NZABWYPZUVESCR-PGEKAQRJSA-N 385.488 2.099 10 40 GECB Cc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)cc1[N+](=O)[O-] 408993159 CLGPZCRIRIJIFU-UHFFFAOYSA-N 384.417 2.225 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)COc3ccc(C)cc3)CC2)cc1 23474256 KCVPWAKEZBVATM-UHFFFAOYSA-N 398.459 2.274 10 40 GECB CN(C)c1c(Br)cc([C@H]2NCCC(=O)N2)cc1Br 408736730 GNRWIFFAXPISPW-LBPRGKRZSA-N 377.080 2.386 10 40 GECB Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=N/N3CCOCC3)cc2)n1 866356 QQVSZYDNTLGIGT-XUTLUUPISA-N 376.442 2.225 10 40 GECB CCCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350278 REUVQNCGQRKCAE-OAQYLSRUSA-N 394.519 2.499 10 40 GECB COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@H](O)CO)c2c1 6484895 AEZQYPDALGTGLM-ZDUSSCGKSA-N 375.856 2.405 10 40 GECB CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)NC1=S 409391745 LBJGOJIZHUPATD-YFHOEESVSA-N 382.283 2.162 10 40 GECB Cc1cc(/C=C2/NC(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 1092423 KCGUKDIVDWULSF-LDADJPATSA-N 382.489 2.276 10 40 GECB O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1ccc(O)cc1 5214162 VTHGARSTIHQKIO-ZSOIEALJSA-N 388.426 2.350 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccnc(Cl)c3)CC2)cc1 25972697 QXMAFDICWNFEFZ-UHFFFAOYSA-N 389.839 2.249 10 40 GECB COc1ccccc1/C=C1\C(=O)NN=C1c1c(O)c2ccccc2n(C)c1=O 100287986 ZJGRYAFEOTWHEF-KAMYIIQDSA-N 375.384 2.170 10 40 GECB COc1cc(OC)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 2785223 YYCVOTNVIBLVNP-UHFFFAOYSA-N 399.266 2.065 10 40 GECB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(C)s3)CC2)cc1 56997539 JAFZIYHXVLXTNM-UHFFFAOYSA-N 395.550 2.166 10 40 GECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)O 35657516 JSIXUEBBNASIFN-GDNBJRDFSA-N 382.372 2.010 10 40 GECB COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1OC 408954702 SHRZOMZMEPEBRX-MDWZMJQESA-N 396.355 2.099 10 40 GECB COc1ccc(N2CCN([C@H]3CC(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1 100119085 KVUFQIHEKHMFOT-FQEVSTJZSA-N 395.459 2.158 10 40 GECB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)C2=O)cc1 5791358 MNMNRHPKKIRIRA-LGMDPLHJSA-N 395.415 2.345 10 40 GECB COCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C1=O 409124738 CIRJHQHHJSJLPT-RVDMUPIBSA-N 393.421 2.114 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(S(C)(=O)=O)cc1 12554972 OJPQVLYPOAUOTP-UHFFFAOYSA-N 388.489 2.199 10 40 GECB CCN1CCN(C2=NC(=O)/C(=C/c3cc(OC)c(OC)cc3OC)S2)CC1 19841941 VUJBZWKEZQBUEB-BOPFTXTBSA-N 391.493 2.320 10 40 GECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 101473616 RAYMJJDLDZNHET-JGWKKKPCSA-N 387.383 2.406 10 40 GECB NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 6189091 ZWIMEKJXEZWEBJ-JYRVWZFOSA-N 377.472 2.135 10 40 GECB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)c1 5340497 OBVNTYWIGRAGAK-IBGZPJMESA-N 384.480 2.119 10 40 GECB CC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)cc1 36358428 ZXWHMHYQBKMCEJ-MHWRWJLKSA-N 375.392 2.354 10 40 GECB CCOc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br 1407302 ARXRFQNFCZNQCI-UHFFFAOYSA-N 383.267 2.447 10 40 GECB CCc1noc(C)c1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 5391403 OYEVLOKLZCDQMG-UHFFFAOYSA-N 387.436 2.060 10 40 GECB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 16160766 XCDOFIHFTRMLGU-AQTBWJFISA-N 385.445 2.171 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 5340513 MBJIOMQZBNOOLL-GOSISDBHSA-N 399.451 2.018 10 40 GECB C[C@@H](Sc1nnnn1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6643541 ROYTWFCGBPNHQK-SNVBAGLBSA-N 393.428 2.105 10 40 GECB CN(C)c1ccc(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1 100252484 GXCUAHKPUVMJDO-VBKFSLOCSA-N 388.427 2.228 10 40 GECB CCOc1cccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1O 9156659 SGYQCECVBLMKRC-SFHVURJKSA-N 395.419 2.398 10 40 GECB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C1/C(=O)Nc2ccccc21 20477702 OHJHTYUYGIQFIJ-BUHFOSPRSA-N 384.189 2.233 10 40 GECB COc1ccc(N2CCN(C(=O)c3sc4ncn(C)c(=O)c4c3C)CC2)cc1 58095850 JYJSJOHYZLODMI-UHFFFAOYSA-N 398.488 2.274 10 40 GECB Cc1ccccc1CN1CCN(CC(=O)NCc2cc([N+](=O)[O-])ccc2O)CC1 8748074 GUUHDHJTAMWWML-UHFFFAOYSA-N 398.463 2.043 10 40 GECB COC(=O)CSc1nnc(N2CCN(c3ccc(OC)cc3)CC2)s1 23140025 CNJAOSLBQYTQBO-UHFFFAOYSA-N 380.495 2.138 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1C 408527959 GWKHMFNXUDTFPF-MHWRWJLKSA-N 395.375 2.295 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(Cc2ccc(F)cc2)C1=O 102501749 OFJPDGVWWZWIMS-VBKFSLOCSA-N 392.500 2.186 10 40 GECB CCN(CC)c1ccc(CN(C)C(=O)C2CCN(S(C)(=O)=O)CC2)cc1 22136445 JVBYVORFDIDPQX-UHFFFAOYSA-N 381.542 2.163 10 40 GECB CC(C)NC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 6428482 KSMGPXRBBCVJRS-UHFFFAOYSA-N 396.355 2.052 10 40 GECB COc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(C(=O)O)cc3)C2=O)cc1 2282532 ZOAKYVKUDQKDDD-MHWRWJLKSA-N 380.356 2.055 10 40 GECB CC1=NN(c2nnn[nH]2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1 16347945 NRMZMASPFDODEZ-RIYZIHGNSA-N 379.336 2.482 10 40 GECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1C(=O)O 409043591 RTINEZWLTXYGGI-ZROIWOOFSA-N 384.319 2.199 10 40 GECB CC(=O)Oc1cccc(/C=C2\C(=O)N(c3ccc(S(N)(=O)=O)cc3)N=C2C)c1 96193229 MXZIZYCOZKUQHK-WQRHYEAKSA-N 399.428 2.065 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(Cl)nc3)CC2)cc1 3555484 FAURVLDYZLZFKB-UHFFFAOYSA-N 389.839 2.249 10 40 GECB COCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)OC 4736914 VGNGAVZPSZADAR-WJDWOHSUSA-N 388.449 2.072 10 40 GECB CN(C)CCNC(=O)CN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 9048001 ZAEWMSHIXQOIID-UKTHLTGXSA-N 383.926 2.219 10 40 GECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 100775852 LGHOCTJVZURYMT-GXDHUFHOSA-N 382.351 2.363 10 40 GECB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NCCCn3ccnc3)C2=O)cc1 100798746 WPSFHHJLGBVTNM-SFQUDFHCSA-N 381.436 2.153 10 40 GECB COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1O 408739985 HGZZHZRLDRSGAN-NTUHNPAUSA-N 397.343 2.284 10 40 GECB CCN(CCO)C(=O)CCN1C(=O)/C(=C\c2ccccc2F)SC1=S 4745308 DRYGZAUPEPPNBK-SDNWHVSQSA-N 382.482 2.258 10 40 GECB CCOc1ccc(/C=C2\C(=O)N(CCOC)C(C)=C2C(=O)OC)cc1OC 6964031 UXOYGNAQGHBEKJ-PTNGSMBKSA-N 375.421 2.413 10 40 GECB COC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c1 58511061 BIKFBWPHFQAVPS-UHFFFAOYSA-N 392.452 2.473 10 40 GECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccccc1C(=O)O 59139630 WUWKYBPVQMQGJI-UHFFFAOYSA-N 397.456 2.391 10 40 GECB O=C1/C(=C\c2cccc(O)c2O)SC(=S)N1CCCN1CCOCC1 31761416 YIFYXILBDUTHAX-SDNWHVSQSA-N 380.491 2.021 10 40 GECB CN(C)c1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2C)cc1 8780120 CCIGHWCUVCSWCN-UHFFFAOYSA-N 388.518 2.470 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O 19990074 FWAKXJIFWFCOHZ-QINSGFPZSA-N 394.928 2.293 10 40 GECB CC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C\c1ccc2c(c1)n(C)c(=O)n2C 16160966 FNFNMTURLFJUGO-YBEGLDIGSA-N 390.399 2.381 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 5340576 LQKJEUJPKWXWBQ-SFHVURJKSA-N 399.451 2.018 10 40 GECB COc1ccc(N2CCCN(CCN3C(=O)NC4(CCCC4)C3=O)CC2)cc1 83947480 ZTBQUWBITFNQBS-UHFFFAOYSA-N 386.496 2.072 10 40 GECB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 108259697 VTAMAFBOESUVGT-CMHHUMAZSA-N 382.372 2.009 10 40 GECB CC(=C\c1ccccc1)/C=C1/SC(=S)N(C=C2C(=O)NC(=O)NC2=O)C1=O 17223168 OSEJWEDHCMQAEQ-OOHIBURESA-N 399.453 2.084 10 40 GECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 34718533 UOHIWZDCDBIPHY-YYTPVVGHSA-N 396.399 2.399 10 40 GECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OCC 96193611 FMUJTCOUKZVIAQ-UHFFFAOYSA-N 399.266 2.161 10 40 GECB Cc1nn(C)c2ncc(C(=O)OCC(=O)N(C)Cc3ccc(N(C)C)cc3)cc12 29014425 MHWAVVORRVLVEQ-UHFFFAOYSA-N 395.463 2.158 10 40 GECB CCOc1ccc(N2CN=c3s/c(=C/c4ccc(OC)cc4)c(=O)n3C2)cc1 5840492 MFKWSHZDCBCIDI-XDHOZWIPSA-N 395.484 2.201 10 40 GECB O=C(NC1(N2CCOCC2)C(=O)c2ccccc2C1=O)c1cccc(Cl)c1 226297660 IAFDRSPUQNDNHO-UHFFFAOYSA-N 384.819 2.178 10 40 GECB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1248447 RLXKGHGRYSGDEF-ATDKOCKZSA-N 393.511 2.394 10 40 GECB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/NN1CCCC[C@H]1c1cccnc1 8995915 NDDMIHNQRKCUAR-UMADGWCESA-N 391.431 2.485 10 40 GECB COC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34883072 HYFJBSYNOTZJHI-RERGGYADSA-N 396.399 2.097 10 40 GECB COc1cc2c(cc1[C@@H](c1cc3c(cc1O)OCO3)N1CCOCC1)OCO2 15109924 WVQXCMGRXKRVRF-HXUWFJFHSA-N 387.388 2.280 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@H](NC(N)=O)c1ccccc1 9975454 HMZPSYXHJHNAKM-FQEVSTJZSA-N 396.491 2.281 10 40 GECB CN(C)c1ccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12507745 WQOHUAXHJGXLNP-SFHVURJKSA-N 378.436 2.360 10 40 GECB Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2c(c1)CCCN2C 58208714 XPAKZJORYIQXQX-UHFFFAOYSA-N 378.480 2.373 10 40 GECB CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408799302 KFDPOXSDPCIOFC-MHWRWJLKSA-N 382.372 2.466 10 40 GECB O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccccc1O 5345348 KYZLHJUAYNVQJC-RIYZIHGNSA-N 388.426 2.350 10 40 GECB CN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)NC1=S 4672745 MLFRSUDADPLIRU-XNTDXEJSSA-N 396.424 2.220 10 40 GECB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)NCc3cccnc3)ccc21 4181407 FOZBKBXMGRQTSG-UHFFFAOYSA-N 378.409 2.336 10 40 GECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1C(=O)O 6439738 VWBZFQFHNRCPMY-XNTDXEJSSA-N 396.355 2.156 10 40 GECB CCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(-c2ccc(O)nn2)c1C 58293535 YGFBOPDTLOSIFE-UHFFFAOYSA-N 380.452 2.405 10 40 GECB CCOc1ccc(N2C(=O)N=C(O)/C(=C/NCCCn3ccnc3)C2=O)cc1 103108804 YSMIEXMGMONZSL-VBKFSLOCSA-N 383.408 2.269 10 40 GECB COc1ccccc1NN/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408538485 NSUZSCGHOXZCFJ-SDNWHVSQSA-N 380.404 2.395 10 40 GECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1ccc(Cl)cc1 199274370 TZUBIRIFZNPSQD-UHFFFAOYSA-N 399.790 2.107 10 40 GECB COc1ccc(N2CCN(C(=S)NC(=O)CC(C)C)CC2)c([N+](=O)[O-])c1 408622534 PVRODWNYPCLCSR-UHFFFAOYSA-N 380.470 2.173 10 40 GECB COc1ccc(N2CCN([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 39561427 WDWOCMBWFDXVFJ-MRXNPFEDSA-N 397.475 2.251 10 40 GECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3)C2=O)cc1 408809266 NRKUNNRJYSKFLG-LFIBNONCSA-N 380.356 2.148 10 40 GECB O=C1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)cc3c2N1CCC3 4270497 NPEMGPPPXHGVDA-UHFFFAOYSA-N 386.429 2.442 10 40 GECB CN1C(=O)/C(=C\c2ccc(OCC(=O)NC[C@@H]3CCCO3)cc2)SC1=S 8411873 ABOCDHKTDVAEGW-AHSSXEFNSA-N 392.502 2.192 10 40 GECB CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccc(N3CCCC3)cc2)c1 225420132 OZBHAVYNZCLMKX-UHFFFAOYSA-N 387.505 2.467 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)N2CCC(c3ccccc3)=N2)cc1 8705875 HFBQTCKXKSGIHQ-UHFFFAOYSA-N 380.448 2.014 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2ccccc2OC)C1=O 103090757 KJNOUOUILSQMKQ-YPKPFQOOSA-N 390.509 2.060 10 40 GECB CN(C)CCNc1cccc2c1C(=O)c1cccc(NCCN(C)C)c1C2=O 5140452 DPKDBVSAHDKACA-UHFFFAOYSA-N 380.492 2.409 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 5531682 CHWJTGRMGVWYNH-XMHGGMMESA-N 391.427 2.498 10 40 GECB O=C1NC(=S)S/C1=C\N1N=C(c2ccc3c(c2)CCCC3)C[C@@H]1C(=O)O 256027974 MHXQSPMOZUTEHU-WJQTUHTMSA-N 387.486 2.418 10 40 GECB O=C1N[C@@H]2C=CC=C[C@@H]2/C1=C1/SC(=S)N(CCOc2ccccc2)C1=O 13547146 RCLDZWZBRXFTOC-JHBCDZEYSA-N 384.482 2.420 10 40 GECB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@H]2c1ccc(O)c(O)c1 104279980 PXYCICCBPSPQMK-LJQANCHMSA-N 389.415 2.354 10 40 GECB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)O)c3)c2C)C(=O)NC1=S 409391249 IIBDAWUIZWZAFO-MHWRWJLKSA-N 397.456 2.439 10 40 GECB COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)c1 408995230 LIOJUORXWYQTQV-UHFFFAOYSA-N 395.415 2.315 10 40 GECB CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1O 408956063 VTZSWXLMUIEZSA-MDWZMJQESA-N 396.355 2.186 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 408989861 JEFDPACSEYDCDH-UHFFFAOYSA-N 386.414 2.055 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4ccccc43)CC2)cc1 225720521 RTBISJYXOPQCJX-UHFFFAOYSA-N 377.444 2.359 10 40 GECB CCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)OC)C2=O)c2ccccc21 12635861 RQCGGHGIGZIOSR-LZTQFINJSA-N 376.459 2.186 10 40 GECB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2cccc([N+](=O)[O-])c2)c(O)c2ccccc21 100260913 RAESHXUVRBHMRM-UVTDQMKNSA-N 390.355 2.070 10 40 GECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408951780 MPNGMHAOOKAZCR-OQLLNIDSSA-N 380.356 2.480 10 40 GECB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6361282 USJURONIWHYKAY-MEDUHNTESA-N 390.461 2.123 10 40 GECB COc1ccc(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)c(O)c1 12183084 YNRZIUWOHFMEEW-UHFFFAOYSA-N 384.480 2.279 10 40 GECB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(O)c(O)c4)C(=O)N=C3S2)CC1 2432396 DDOSBHCODYZKOM-RFCLUPQTSA-N 385.449 2.406 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)Cc3cccs3)N3CCOCC3)ccc21 22733315 QZBBSHRKFUFUNW-HXUWFJFHSA-N 385.533 2.473 10 40 GECB CN(C)CCCNC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 95479653 HHHLRAKEAYBMNH-UHFFFAOYSA-N 375.428 2.396 10 40 GECB CN(C)c1ccc(CNC(=O)Cn2cnc3c([nH]c4ccccc43)c2=O)cc1 14001075 LJHAEIRDALFTTH-UHFFFAOYSA-N 375.432 2.260 10 40 GECB COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 4812780 NCGJWAOKJZNVFJ-UHFFFAOYSA-N 385.332 2.297 10 40 GECB COc1ccc(N2CCN(C(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)cc1 42047519 XYZNNDHOWOFZJL-UHFFFAOYSA-N 386.364 2.474 10 40 GECB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 2438086 JRMDLOAMGUBYNV-YVLHZVERSA-N 396.378 2.359 10 40 GECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 101052129 JRMDLOAMGUBYNV-LICLKQGHSA-N 396.378 2.359 10 40 GECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 13654463 RAYMJJDLDZNHET-IAOKNECISA-N 387.383 2.406 10 40 GECB CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1ccc([N+](=O)[O-])cc1F 95939669 UJIVKDLYKTVVET-AWEZNQCLSA-N 392.339 2.049 10 40 GECB O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 409119862 UDUXHXVNKBIJCU-DTQAZKPQSA-N 395.390 2.329 10 40 GECB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 2308574 PUBQRFATGGQQGW-AQTBWJFISA-N 392.415 2.262 10 40 GECB CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccnn2C)C1)c1ccccc1 257253380 JYQUOVLMHUWCOX-OAHLLOKOSA-N 392.463 2.440 10 40 GECB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)c1 2307103 FXXQPDDEIOQLBR-FOWTUZBSSA-N 397.456 2.256 10 40 GECB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1C(=O)O 2425171 ZJNQDNDXLDERCT-NTEUORMPSA-N 383.335 2.098 10 40 GECB CN1CCN([C@H](CNC(=O)c2ccccc2)c2ccc3c(c2)CCN3C)CC1 22733792 VTDBNOXNLQAPIL-JOCHJYFZSA-N 378.520 2.397 10 40 GECB O=C(O)C1CCN(C(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 8514267 JVIPPGHMSCPMSL-JLHYYAGUSA-N 394.474 2.194 10 40 GECB CN1C(=O)C(=Cc2ccc(OCCN(C)c3ccccn3)cc2)C(=O)N(C)C1=O 5659754 BAGMRRMMBFVQTQ-UHFFFAOYSA-N 394.431 2.031 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 408869320 BUEWGWOPVYUHQU-UHFFFAOYSA-N 383.385 2.088 10 40 GECB COc1ccc(N2CCN(c3cc(N4CCNCC4)ccc3[N+](=O)[O-])CC2)cc1 4143429 IDNYMKFSVHQMAI-UHFFFAOYSA-N 397.479 2.340 10 40 GECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3cc([N+](=O)[O-])ccc3O)C2=O)c1 5337752 YNWMNWNWKUSCSQ-LCYFTJDESA-N 382.332 2.188 10 40 GECB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)NC(C)C 26112217 JVMLZGBURHKXHG-UHFFFAOYSA-N 392.433 2.363 10 40 GECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(C)cc1 59305915 HWNZDVHXMMQXCR-UHFFFAOYSA-N 382.441 2.497 10 40 GECB O=C(c1ccnnc1)N1Cc2cc(N3CCOCC3)ccc2[C@H]1c1cnco1 96087005 ANZXXCOIDCMZTP-IBGZPJMESA-N 377.404 2.047 10 40 GECB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 100804820 ZZJGEEZLWOPTJX-IBGZPJMESA-N 383.423 2.288 10 40 GECB O=C1NC(=O)C(=Cc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1 409076882 CGAKRCKEMBJTPD-UHFFFAOYSA-N 398.287 2.045 10 40 GECB COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)OCO4)C2=O)c1 100132091 LZTPRQHDJKJPMT-ZROIWOOFSA-N 381.344 2.003 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C=O)cc3)CC2)cc1 5397682 JDYWJUCDWJHJOL-UHFFFAOYSA-N 382.416 2.013 10 40 GECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 13654461 RAYMJJDLDZNHET-HRYODUOUSA-N 387.383 2.406 10 40 GECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(O)c(Br)c1 409372910 NYOWSLXATXYKNO-IZZDOVSWSA-N 391.177 2.410 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)CN1C=Nc2ccccc2S1(=O)=O 58129718 GMVAVPCRAZCGID-UHFFFAOYSA-N 386.477 2.075 10 40 GECB O=c1oc2c(CN3CCN(CCO)CC3)c(O)ccc2cc1-c1ccccc1 20605080 ITOWSDVHZUUWMC-UHFFFAOYSA-N 380.444 2.276 10 40 GECB aggregator,biogenic COc1ccc(N2CCN(Cc3nnnn3CCc3ccccc3)CC2)cc1 19556592 NKBRZLUSKZTDCU-UHFFFAOYSA-N 378.480 2.247 10 40 GECB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 5478719 RHFRWIJUHRWFQF-UVTDQMKNSA-N 393.515 2.428 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)o3)C2=O)cc1C 5753696 VBXTVVKOHLNUQK-ATVHPVEESA-N 395.415 2.399 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cccc(S(=O)(=O)NC2CC2)c1 12634724 FWYIBRDIVCLQHW-UHFFFAOYSA-N 387.505 2.466 10 40 GECB COc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1OC(=O)c1ccccc1 59194396 NMLHYUUVTMNLBN-UHFFFAOYSA-N 394.383 2.348 10 40 GECB CC(=O)Oc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 409000596 UBQVYGIUFZHGDA-YVLHZVERSA-N 381.388 2.111 10 40 GECB O=C1NC(=O)N(c2ccc(C(=O)O)cc2)C(=O)/C1=C/c1ccc(O)c(Cl)c1 408944705 UTORRUZDIQGVFU-KPKJPENVSA-N 386.747 2.410 10 40 GECB O=C1N=C(N2CCOCC2)S/C1=C/c1cc2c(cc1Br)OCO2 1050122 QDNLIJRBWBUCPM-AWNIVKPZSA-N 397.250 2.480 10 40 GECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)c1 1197251 CFNHXKJEWNBCPZ-OQLLNIDSSA-N 382.372 2.379 10 40 GECB CC(C)N(Cc1ccco1)N/C=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O 5164968 HCCZXQGRXXGFJQ-GZTJUZNOSA-N 382.420 2.157 10 40 GECB CN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(C)C1=O 1060738 XOTBAMNYPIYZQH-UHFFFAOYSA-N 382.332 2.216 10 40 GECB COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733390 GYZAKIUAEPVEER-OAQYLSRUSA-N 395.503 2.491 10 40 GECB COc1ccc(N/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1 100353853 RHTJTZTZNHYRLJ-PTNGSMBKSA-N 390.399 2.083 10 40 GECB COc1c(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cccc1[N+](=O)[O-] 408903078 OTHYVCAYAVRAIF-UKTHLTGXSA-N 385.307 2.409 10 40 GECB COc1ccc(N2CCN(CN3C(=O)NC4(CCC(C)CC4)C3=O)CC2)cc1 25538772 QICHHRAZOUSNFB-UHFFFAOYSA-N 386.496 2.275 10 40 GECB CN(C)c1ccc(-c2nc3c(c(=O)[nH]c(=O)n3Cc3ccccc3)n2C)cc1 6585700 JCHGNZARJGVROV-UHFFFAOYSA-N 375.432 2.205 10 40 GECB Cc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963864 KCRBZSXWTITHTL-HXUWFJFHSA-N 380.492 2.345 10 40 GECB CCOc1cccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1O 9156658 SGYQCECVBLMKRC-GOSISDBHSA-N 395.419 2.398 10 40 GECB COCCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=S 9189314 NPTUXHWOGJQSMC-ZROIWOOFSA-N 397.474 2.396 10 40 GECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(=O)c1ccccc1 408900295 UWUBXJIUNPVIDX-UHFFFAOYSA-N 380.356 2.054 10 40 GECB COCCn1nnnc1[C@H](CC(C)C)N1CCN(c2ccc(OC)cc2)CC1 57670101 MXOQVSZHHJEEAX-IBGZPJMESA-N 388.516 2.238 10 40 GECB NC(=O)CN1CCN(CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 78796923 VVDGXBMWMYJSEY-WCWDXBQESA-N 380.452 2.143 10 40 GECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 4853877 PCPMTSRBEQXJCE-UHFFFAOYSA-N 382.376 2.436 10 40 GECB CCn1nc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc2c1=O 2651214 BTHVDDZIMNJOAY-UHFFFAOYSA-N 392.459 2.387 10 40 GECB CN(C)c1ccc2c(c1)OCCN2CC(=O)Nc1ccc(N2CCOCC2)cc1 95405728 NFVKANFFLAVAOB-UHFFFAOYSA-N 396.491 2.427 10 40 GECB COc1ccccc1NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N(C)C 8963987 QYLONGKPEFLGOK-LJQANCHMSA-N 396.491 2.045 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CCCCC2)N2CCCC2)cc1 10188276 IRXJUAUQQCKKNM-HXUWFJFHSA-N 386.540 2.455 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(S(C)(=O)=O)c1 12609061 SUPANQOOJLGJQC-UHFFFAOYSA-N 388.489 2.199 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 9316992 NBLJFEUYKNNVGZ-UHFFFAOYSA-N 377.765 2.423 10 40 GECB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N(C)C)cc2)CC3)C[C@@H](C)O1 19497590 GMHBFNLJBSZFEF-IYBDPMFKSA-N 397.523 2.420 10 40 GECB COc1ccc(N2CCN(C(=O)[C@]34CC[C@](C)(C(=O)C3=O)C4(C)C)CC2)cc1 6673379 NUIUUWODTRAFGI-YADHBBJMSA-N 384.476 2.308 10 40 GECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/Nc1cc(C(=O)O)ccc1Cl 19890089 CGBIHWFQCFXHLK-YRNVUSSQSA-N 389.751 2.206 10 40 GECB COc1ccc(N/C=C2\C(=O)NC(=S)N(c3cccc(OC)c3)C2=O)cc1 98086268 LCPYGQRWPFGASS-LFIBNONCSA-N 383.429 2.448 10 40 GECB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3ccc[nH]3)SC2=S)cc1 5552865 NMIOGONCKLPTTM-UKTHLTGXSA-N 379.488 2.418 10 40 GECB CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)[C@H]1C(=O)OC 102100703 JMBNMZNXXIBRQB-UVQUFPMPSA-N 396.395 2.002 10 40 GECB COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@]21NN=C(c2ccc(C)cc2)S1 670427346 DQBGXNRRHCGJRT-FQEVSTJZSA-N 397.456 2.475 10 40 GECB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(N2CCOCC2)c1 55679185 SNBMYJKQJCTERF-UHFFFAOYSA-N 376.434 2.331 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H](C)c2ccccc2OC)cc1 12802841 MDEMHBVEQMQSOC-HNNXBMFYSA-N 385.464 2.263 10 40 GECB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\NCCCn1ccnc1 19997201 HESSWMWQAKVCBM-LGMDPLHJSA-N 389.415 2.183 10 40 GECB COC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1237730 QPLKAWYZRYJCFO-GHXNOFRVSA-N 383.447 2.087 10 40 GECB Cc1cc(OCCOc2ccc(N)cc2)ccc1N1C(N)=NC(N)=NC1(C)C 17040572 GCRYKUSDSIVNLW-UHFFFAOYSA-N 382.468 2.221 10 40 GECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)ccc1O 408951942 MYQRTOOTGXYXLK-WUXMJOGZSA-N 386.747 2.441 10 40 GECB CC(=C/c1ccccc1)/C=C1\SC(=S)N(C=C2C(=O)NC(=O)NC2=O)C1=O 1637174 OSEJWEDHCMQAEQ-VQHBBHOASA-N 399.453 2.084 10 40 GECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1F 8963925 ZATBXHLQAANAMM-FQEVSTJZSA-N 398.482 2.484 10 40 GECB CCOC(=O)[C@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33622728 WTVBHTGFTACKDP-ZSRMJVKVSA-N 380.400 2.478 10 40 GECB COc1cc(-c2ccc(C=C3C(=O)NC(=O)NC3=O)o2)c(OC)cc1Cl 408974487 AMULWPIKQOKTIS-UHFFFAOYSA-N 376.752 2.367 10 40 GECB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408774211 YGJXLCBYJMWVIF-YVLHZVERSA-N 396.399 2.017 10 40 GECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc2[nH]c(=O)[nH]c2c1 97944368 LTMINBSQCXAWMQ-WQLSENKSSA-N 397.778 2.088 10 40 GECB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3nc(C)[nH]c3c2)C1=O 408533502 SSDPFUUDAKYMAT-JLHYYAGUSA-N 391.387 2.459 10 40 GECB CN(C)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96935892 KPWAFFBPTKOHEE-DTQAZKPQSA-N 377.535 2.286 10 40 GECB COc1ccc(N/C=C2\C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 13681499 QRXFMRJHUBGTES-OEMOTLHWSA-N 383.857 2.050 10 40 GECB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(N(C)C)cc2)C1=O 409243193 QESCRSDPSQZFHH-SFQUDFHCSA-N 394.431 2.293 10 40 GECB O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 2413525 HKENVMYLEJIVHB-OQLLNIDSSA-N 383.335 2.098 10 40 GECB Cc1nnc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)o1 408632092 SKIPPMLIKNNHLG-NTEUORMPSA-N 392.393 2.341 10 40 GECB COc1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2[N+](=O)[O-])c1 7496904 RPVGQSXNJVHBCQ-UHFFFAOYSA-N 387.392 2.458 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3cccc(NC(C)=O)c3)C2=O)cc1 408529849 IDGHHXJPDRXVAH-BOPFTXTBSA-N 394.387 2.232 10 40 GECB C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3C[C@@H]3C)cc2F)C[C@@H](C)O1 50452524 HXDRGCOXMJIFCR-TTZDDIAXSA-N 378.444 2.255 10 40 GECB CCN1C(=O)C(=Cc2ccc(OCC(=O)O)c(Cl)c2)C(=O)N(CC)C1=S 4723779 GYEXXTCGLBLZNH-UHFFFAOYSA-N 396.852 2.182 10 40 GECB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 409202615 SDWUOBZOUXAOLW-RIYZIHGNSA-N 382.288 2.169 10 40 GECB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)CC2)cc1 19814867 ZZJGEEZLWOPTJX-LJQANCHMSA-N 383.423 2.288 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCC2=CCCCC2)N(C)C)cc1 5340340 NOAUNWJTKASQKH-FQEVSTJZSA-N 386.540 2.478 10 40 GECB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1)C(=O)O 59678537 AFDSZSDXDXRXDY-UJFYRASASA-N 398.346 2.344 10 40 GECB COc1ccc2c(/C=C3\SC(=S)N(CC(=O)O)C3=O)c(C(=O)O)[nH]c2c1 256055731 QYSMGPOYGRUYNK-WZUFQYTHSA-N 392.414 2.161 10 40 GECB COC(=O)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1 1406525 YJTLEJCPPKCEQB-LFIBNONCSA-N 396.424 2.313 10 40 GECB CN(C)CCCN/C=C1\C(=O)N(c2ccc(Br)cc2)C(=O)N=C1O 103226304 JDGTZENSNVEXES-RAXLEYEMSA-N 395.257 2.297 10 40 GECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc(Cl)c1OC 409389431 BAAJFMSCGYYAJX-KPKJPENVSA-N 387.779 2.419 10 40 GECB C[C@H]1Cc2cc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 5201282 BRDLDJIYNJREKU-PYLWZUQISA-N 395.527 2.398 10 40 GECB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)NC[C@H]1CCCO1 6227481 FDXXNMBTBUJZHX-GOSISDBHSA-N 395.411 2.204 10 40 GECB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2ccc(C(=O)O)cc2)SC1=S 408930835 CQVDZAHLTTZKTH-MDWZMJQESA-N 388.426 2.461 10 40 GECB CCCN1C(=O)/C(=C\N2CCN(CCc3ccccn3)CC2)SC1=S 20649500 TVQFHBSVMXYPFX-JQIJEIRASA-N 376.551 2.353 10 40 GECB CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccc(F)cc3)cc2)CC1 49740710 ZKYVROFHNWPBEE-UHFFFAOYSA-N 377.485 2.197 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)N3CCCCC3)ccc21 13007855 QGPCAJMRIMDSKV-OAQYLSRUSA-N 398.551 2.381 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 22664802 WPOKVONCNDXLTH-HXUWFJFHSA-N 398.463 2.464 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1C 408947295 BUDHTSMVSPONGQ-RIYZIHGNSA-N 380.356 2.399 10 40 GECB COc1ccc(N2CCN(C(=O)c3ccc(CN4CCOCC4)cc3)CC2)cc1 19556394 LIKWMTXLNJKMNE-UHFFFAOYSA-N 395.503 2.490 10 40 GECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\NNc3ccc(C)cc3)C2=O)cc1 408526628 BTSWRYITFDJCQX-SFQUDFHCSA-N 380.404 2.477 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)O)C2=O)cc1 408787337 YBQSBWMOHXYROV-XNTDXEJSSA-N 380.356 2.125 10 40 GECB CC(C)OC(=O)c1cc(NC=C2C(=O)N(C)C(=O)N(C)C2=O)ccc1Cl 408533836 PHKIZULRROXSQS-UHFFFAOYSA-N 379.800 2.251 10 40 GECB O=C(NCCNCCO)c1cccc(Nc2cc(O)c(O)c3ccccc23)c1 1694535 PULFVKBYDWPFNL-UHFFFAOYSA-N 381.432 2.306 10 40 GECB COc1ccc(N2CCN(C(=O)CSc3nnc(CSC)o3)CC2)cc1 22132146 TVPKPZABEARZNF-UHFFFAOYSA-N 394.522 2.382 10 40 GECB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)O)C2=O)cc1 4704220 BYVBFVSDRRWPCS-WJDWOHSUSA-N 394.383 2.379 10 40 GECB CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)c1 408996162 OKMVSNMJMNAQSU-UHFFFAOYSA-N 381.388 2.020 10 40 GECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 409395124 KDIPUAVUOCCFIZ-RVDMUPIBSA-N 380.379 2.487 10 40 GECB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1 408992412 BEXNHJOTYBMGEF-BOPFTXTBSA-N 395.415 2.362 10 40 GECB COCCN1C(=O)/C(=C(\C)c2c(OC)cccc2OC)C(C(=O)OC)=C1C 18194705 YFBQDYWDXRMAQK-SFQUDFHCSA-N 375.421 2.413 10 40 GECB CN(C)c1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 6419246 XJANBDHHVDRTNK-GZTJUZNOSA-N 382.395 2.466 10 40 GECB O=c1/c(=C/c2ccc(N3CCOCC3)c(F)c2)sc2nc3ccccc3n12 107917152 RMKGZZXQFKBZQF-PDGQHHTCSA-N 381.432 2.433 10 40 GECB COc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 2373669 BPWLGVCUWUIFQC-LLUUXILJSA-N 399.515 2.092 10 40 GECB COCC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1 19079609 DBTYANAFINIJGD-UHFFFAOYSA-N 378.435 2.077 10 40 GECB Cc1ccc(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-] 13649008 OJYSVMCTEMMCQJ-UHFFFAOYSA-N 391.449 2.218 10 40 GECB CN1C(=O)C(=Cc2cc(Br)c(N3CCCC3)o2)C(=O)N(C)C1=O 408858991 RWWDRYUAXPIAPZ-UHFFFAOYSA-N 382.214 2.076 10 40 GECB CN1CCNCCOc2ccc(N3CCOCC3)cc2Cc2cccc(c2)C1=O 1616142845 FNCVDWKPWRQFCQ-UHFFFAOYSA-N 395.503 2.168 10 40 GECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3O)C2=O)cc1 19533431 LQMDOIVJKCIZNC-PTNGSMBKSA-N 382.372 2.466 10 40 GECB CN1CCN([C@H](CNC(=O)NC(C)(C)C)c2ccc3c(c2)CCCN3C)CC1 35597184 NUSCWUYNTNXVNE-HXUWFJFHSA-N 387.572 2.455 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1 5375984 DKBQPNTXJFKCSF-PTNGSMBKSA-N 394.518 2.391 10 40 GECB O=C(CN1C(=O)/C(=C/c2ccccc2)SC1=S)NCCCn1ccnc1 5208344 TXZGCUSKSVINJC-PTNGSMBKSA-N 386.502 2.291 10 40 GECB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963843 BOFAGZWKMKCIGG-NRFANRHFSA-N 394.519 2.023 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1c(O)ccc2cc(Br)ccc12 13107534 SLAFNQXBJCACLN-UHFFFAOYSA-N 377.219 2.222 10 40 GECB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963851 OCLWYMOPCOYBBU-FQEVSTJZSA-N 380.492 2.345 10 40 GECB Cc1ccc(NC(=S)NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)c1 16218262 HRSXKKFRNWTLGV-UHFFFAOYSA-N 395.466 2.173 10 40 GECB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1c(O)ccc2ccccc12 104279863 BYHKGJVLAFKMAQ-IBGZPJMESA-N 391.431 2.071 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(-n2cncn2)cc1 12556412 CWKVOVKLSOIDCK-UHFFFAOYSA-N 377.448 2.376 10 40 GECB COc1ccc2c3c(n(CCNC(C)=O)c(=O)c2c1OC)-c1ccccc1C3=O 604404152 DGDBIIQLNMVBCZ-UHFFFAOYSA-N 392.411 2.366 10 40 GECB biogenic C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N\C(N)=O)cc1)/N=N\C(N)=O 18128479 CGQMNQSWTBDETI-AJDAAHBYSA-N 390.404 2.183 10 40 GECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCC3)N3CCCC3)ccc21 9135488 IRYOSVIGUBXFMN-NRFANRHFSA-N 398.551 2.381 10 40 GECB CCOC(=O)C1=C(C)N=C(SCC(=O)OC)N[C@@H]1c1ccc(N(C)C)cc1 408991322 QDRYHUIOTLFQQA-QGZVFWFLSA-N 391.493 2.496 10 40 GECB O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1cccc(O)c1 5346886 HJJRMMLARFAWKI-VGOFMYFVSA-N 388.426 2.350 10 40 GECB COC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 408526971 DNTCDONGIIMKTA-WJDWOHSUSA-N 395.371 2.061 10 40 GECB CC1CCN(c2ccc([N+](=O)[O-])cc2C=C2C(=O)N(C)C(=O)N(C)C2=O)CC1 409275429 ULCYDKLCXVANKB-UHFFFAOYSA-N 386.408 2.265 10 40 GECB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NCCO)cc1 4999683 DLQFHGFVRPFGKJ-RGEXLXHISA-N 381.432 2.311 10 40 GECB CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)[C@@H]1Sc1nnnn1-c1ccccc1 15945541 ABBLQNFYNFVEPW-OAHLLOKOSA-N 395.404 2.454 10 40 GECB Cc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)O)cc3)C(=O)NC2=S)cc1 408991822 RAQQISLFIMZTHH-MHWRWJLKSA-N 396.424 2.290 10 40 GECB COC(=O)Cn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 33663047 ZUIKJIOVUQJUIO-BOPFTXTBSA-N 375.384 2.276 10 40 GECB CS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccc(N3CCCC3)cc2)cc1 30419179 LGENXTVPBIWULX-UHFFFAOYSA-N 394.518 2.169 10 40 GECB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1O[C@H](C)C(=O)N(C)C 6209263 QUSHNSVDSOEBQA-AHEVQNHNSA-N 380.491 2.430 10 40 GECB COCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665363 JYBIZJABLICGLM-JOCHJYFZSA-N 396.535 2.379 10 40 GECB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)c1 2285536 IDIGBPJPEGXFHG-MHWRWJLKSA-N 380.356 2.125 10 40 GECB COC(=O)CNC(=O)CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 11644862 HJQZYWQCYVULEY-HNNXBMFYSA-N 389.477 2.110 10 40 GECB CCCc1nnc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1C 35313121 GLCINFDHGBOQRL-UHFFFAOYSA-N 389.525 2.217 10 40 GECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC 408804169 CTICIXGXEWKBFS-XNTDXEJSSA-N 382.372 2.466 10 40 GECB Cc1cc(C(=O)COC(=O)C(C)C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 5708432 XLCISQAZAZPWNM-UHFFFAOYSA-N 378.450 2.123 10 40 GECB COC(=O)CCN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1248107 JRLVIMVGKZRELL-LCYFTJDESA-N 397.474 2.477 10 40 GECB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 20841867 VPLAOHISIALBSP-HGLWPWQMSA-N 397.479 2.408 10 40 GECB COc1ccc(N2CCN(C(=O)CCn3cnc4ccsc4c3=O)CC2)cc1 26117792 BCGVCSGQXQXINM-UHFFFAOYSA-N 398.488 2.206 10 40 GECB COc1cc([N+](=O)[O-])cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)c1O 5879699 GYJXCSBHGVYUKK-MLPAPPSSSA-N 389.751 2.424 10 40 GECB CN1CCN(C(=O)CN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)CC1 20265608 ULLKBVNLODMSHG-UVTDQMKNSA-N 395.937 2.315 10 40 GECB CSc1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077744 HWCKBERZFZZIAU-DDADGOEASA-N 380.476 2.030 10 40 GECB CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350348 FZQIUKDPGKXQKY-OAQYLSRUSA-N 394.519 2.497 10 40 GECB O=c1c(-c2ccccc2)coc2c(CN3CCN(CCO)CC3)c(O)ccc12 20358251 UUGDLPUVHSHPPB-UHFFFAOYSA-N 380.444 2.276 10 40 GECB biogenic COc1cc(Br)cc(/C=C2/SC(N3CCOCC3)=NC2=O)c1O 1899622 GDNRHSOQOPFUSE-KPKJPENVSA-N 399.266 2.466 10 40 GECB Cc1cc(Br)c2nc(NC=C3C(=O)NC(=O)NC3=O)sc2c1 13999613 YHEHBJDJJBURGY-UHFFFAOYSA-N 381.211 2.029 10 40 GECB COc1ccc(N2CCN(C(=O)CCc3c(C)nn4cnnc4c3C)CC2)cc1 9689410 MLEGPGWVVBTVHG-UHFFFAOYSA-N 394.479 2.031 10 40 GECB COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 35973940 SRXFPIJCISVZRP-XGICHPGQSA-N 389.751 2.424 10 40 GECB CN1C(=O)C(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)N(C)C1=O 4117081 BEAUNHZMCAIPKS-UHFFFAOYSA-N 386.408 2.409 10 40 GECB CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5340582 HBZKJTLQZNUPQH-FQEVSTJZSA-N 397.523 2.176 10 40 GECB COC(=O)COc1ccc(/C=C2\SC(=S)NC2=O)cc1Br 409327305 JAEFRGFQYRFQSJ-YHYXMXQVSA-N 388.264 2.490 10 40 GECB O=C1NC(=S)N(CCC2=CCCCC2)C(=O)/C1=C/NCCN1CCCCC1 20291416 UXVQHNUPTLEKFL-BMRADRMJSA-N 390.553 2.080 10 40 GECB O=Cc1ccc(/N=N/c2ccc(C=O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O 4783236 DZIXDWJJFHKRPB-FOCLMDBBSA-N 398.374 2.220 10 40 GECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)CN1C(=O)NC2(CCCC2)C1=O 12564200 JRIQEUWYBYHOPF-UHFFFAOYSA-N 398.507 2.500 10 40 GECB O=C(O)CNc1cc(N2CCOCC2)c2noc3c2c1C(=O)c1ccccc1-3 4687093 LLNMJCJPKDIWRU-UHFFFAOYSA-N 379.372 2.372 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/NNc3ccccc3Cl)C2=O)cc1 408535578 YZDGVCAWRFBZEC-RAXLEYEMSA-N 386.795 2.432 10 40 GECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(C)cc2)c1 408876459 LKVJMKHDRJTOCK-UHFFFAOYSA-N 382.441 2.497 10 40 GECB CCN(CC)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1 193748507 AGBJGFORJINKRT-UHFFFAOYSA-N 389.521 2.470 10 40 GECB CC(C)[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)O 5374853 DCDYOPASFZCABO-ICDLMJIXSA-N 378.475 2.113 10 40 GECB CN(C)/N=N/c1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 850346 DOMVEXKTZKRJQW-IGGDJGDASA-N 376.438 2.221 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCn1c(=O)oc2ccccc21 16134932 RXQKMFMKRNTGRO-UHFFFAOYSA-N 395.459 2.480 10 40 GECB CCOC(=O)c1cnn2c(O)cc(CN(C)[C@@H](C)Cc3ccc(O)cc3)nc12 79099683 QJVVJUWIAPIWTO-ZDUSSCGKSA-N 384.436 2.380 10 40 GECB COc1ccc(N2CCN(C(=O)C3CCN(c4cnccn4)CC3)CC2)cc1 35312056 HTYXVSJTBNHYKV-UHFFFAOYSA-N 381.480 2.050 10 40 GECB COc1cc(/C=C2/SC(=S)N(CCO)C2=O)cc(Br)c1O 82087382 PWBQFWFINWHAEJ-UXBLZVDNSA-N 390.280 2.357 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3nnc(-c4ccc(C)cc4)n3)CC2)cc1 4510041 MVNSFXIDRRMPJA-UHFFFAOYSA-N 392.463 2.006 10 40 GECB COC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c1C 408998095 SYCZMBYNMOAEON-UHFFFAOYSA-N 397.456 2.103 10 40 GECB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(O)cc3)C(=N)N21 4971142 KVUZIZSPNKZDKY-FOVKKDFOSA-N 392.462 2.040 10 40 GECB COCC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 100766657 LORFHQOQYMMHOR-MAEOIBBWSA-N 387.524 2.254 10 40 GECB COc1ccc(N2CCN(C(=O)c3cccc(CN4CCOCC4)c3)CC2)cc1 44900552 RRJGRIVMMSBPNJ-UHFFFAOYSA-N 395.503 2.490 10 40 GECB COc1ccc(OC)c(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 4981223 PGFUXZXHEWPFMP-KSSSLANASA-N 399.515 2.092 10 40 GECB COc1ccc(N2CCN(C(=O)CN3C(=O)COc4cc(C)ccc43)CC2)cc1 51316374 VCXJENAFXRAFFS-UHFFFAOYSA-N 395.459 2.078 10 40 GECB COC(=O)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 1100201 XLUQWNKHOKHJOD-JLHYYAGUSA-N 384.388 2.444 10 40 GECB CN1CCN([C@H](CNC(=O)c2cccs2)c2ccc3c(c2)CCN3C)CC1 22733693 QLVIXJZWCXPVBN-LJQANCHMSA-N 384.549 2.459 10 40 GECB CCOc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)ccc1O 96935900 TXSLWWMHOYOZRY-FOWTUZBSSA-N 394.518 2.324 10 40 GECB Cc1cccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)c1C 409266040 JHQVRQPPIWUQGR-UHFFFAOYSA-N 393.399 2.070 10 40 GECB CC(/C=C1\SC(=S)N(CCC(=O)NCC(=O)O)C1=O)=C\c1ccccc1 5374988 FGSZEJOJOGPRTJ-FNIWZSMSSA-N 390.486 2.425 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc([N+](=O)[O-])cc3)C2=O)cc1 408535460 STPAORWBCGZBNU-GDNBJRDFSA-N 382.332 2.182 10 40 GECB O=C(O)CCNC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 2707625 CMDKMMIILOBBMW-XOHVCTMJSA-N 376.459 2.035 10 40 GECB Cc1cccc(N2C(=O)/C(=C\NCc3ccc4c(c3)OCO4)C(=O)NC2=S)c1 5626108 YGTGUWUWPFQPJL-GDNBJRDFSA-N 395.440 2.145 10 40 GECB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)c(O)c1 1213932 MHBUUPGUNAGPHY-KPKJPENVSA-N 375.178 2.322 10 40 GECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OC)c([N+](=O)[O-])c1 408892787 JNEAOZIABSTGJK-UVTDQMKNSA-N 390.392 2.313 10 40 GECB Cc1ccc(N2NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1C 5618123 FYKUTQMGKSGWBF-NSIKDUERSA-N 381.344 2.402 10 40 GECB O=C(C1=CN(c2cccc(F)c2)c2ccccc2S1(=O)=O)N1CCOCC1 48988533 FYEUEKKUFQJTOX-UHFFFAOYSA-N 388.420 2.451 10 40 GECB C[C@@H]1Cc2cc(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 16810390 BRDLDJIYNJREKU-YYVXLQPGSA-N 395.527 2.398 10 40 GECB Cn1cnnc1Sc1ccc([N+](=O)[O-])cc1C=C1C(=O)OC(C)(C)OC1=O 59488636 XIVBFRQBGYVVLV-UHFFFAOYSA-N 390.377 2.094 10 40 GECB Cc1cccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=O)NC2=O)c1C 409252721 VBQOLBWMLABQMY-UHFFFAOYSA-N 393.399 2.070 10 40 GECB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 409130622 WVFIICMXVCYBMW-OVCLIPMQSA-N 399.428 2.314 10 40 GECB CN1C(=O)C(=Cc2cc(Cl)c(O)c(Br)c2)C(=O)N(C)C1=S 9311491 JJMHXSJTWDCGRU-UHFFFAOYSA-N 389.658 2.407 10 40 GECB O=C(CCN1C(=O)/C(=C/c2cccs2)SC1=S)NCCc1c[nH]cn1 33526565 VULCVEWHWXYJKX-JYRVWZFOSA-N 392.531 2.421 10 40 GECB Cc1ccccc1-n1c(C)cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c1C 4270470 PCLZMWOATZTOBJ-UHFFFAOYSA-N 397.475 2.283 10 40 GECB COc1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 12577084 FWOUXDGZSTXGPT-LCFDYFRESA-N 381.431 2.214 10 40 GECB COc1cccc(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)c1 100353698 MIKXUMLYOXYPDW-PTNGSMBKSA-N 375.384 2.170 10 40 GECB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 2366097 PHYVTMXRRAAXLG-GZTJUZNOSA-N 382.489 2.417 10 40 GECB COc1cc(/C=C2\CC(=O)N(c3ccc(OC(C)=O)cc3)C2=O)cc(O)c1O 62001834 BQQFXFKFFSCIOS-NTUHNPAUSA-N 383.356 2.379 10 40 GECB biogenic Cc1cc(/C=C2\NC(=S)NC2=O)c(C)n1-c1ccc(N2CCOCC2)cc1 13809947 KCGUKDIVDWULSF-PDGQHHTCSA-N 382.489 2.276 10 40 GECB CC(C)NC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138432 QTNVEBOVNRIAQB-HXUWFJFHSA-N 386.540 2.237 10 40 GECB CCOc1cc(Br)cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c1O 6387767 LQSOQSVWZRNOKU-UHFFFAOYSA-N 399.266 2.152 10 40 GECB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NCCN1CCCCC1 103117574 UXVQHNUPTLEKFL-ICFOKQHNSA-N 390.553 2.491 10 40 GECB CCOc1cc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1O 26503249 ADITYYFLLLZPID-KYJZABPNSA-N 399.515 2.179 10 40 GECB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1cccc2nonc12 9418832 JCKMGQSSKJCSRB-DHZHZOJOSA-N 383.751 2.455 10 40 GECB CCOC(=O)c1ccc(N2NC(=O)/C(=C/c3cccc(OC(C)=O)c3)C2=O)cc1 5673026 RWXALNWNUKYNJJ-PDGQHHTCSA-N 394.383 2.250 10 40 GECB COCCCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(C(=O)OC)=C1C 408895810 VVMUHUVAUQESIO-UVTDQMKNSA-N 390.392 2.313 10 40 GECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 34883069 ZRQNXUCDSGFENT-GQVHDAKQSA-N 382.372 2.009 10 40 GECB COc1ccc(CC(=O)c2ccc(O)c(CN3CCOCC3)c2O)cc1OC 23135356 LAELWEXHTCNOJM-UHFFFAOYSA-N 387.432 2.373 10 40 GECB biogenic CCCOC(=O)CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1809453 DNPLAGUEHJSWLZ-YPKPFQOOSA-N 376.459 2.188 10 40 GECB Cc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963863 KCRBZSXWTITHTL-FQEVSTJZSA-N 380.492 2.345 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(F)cc3)nnc2n1 16739864 MWKMJMQEVABSHV-UHFFFAOYSA-N 375.433 2.497 10 40 GECB C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O 19877611 BBDJDZJPXQUAJO-COOUDCDJSA-N 396.424 2.370 10 40 GECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 100998245 DXAOTFVKLUWVIF-WJDWOHSUSA-N 378.388 2.056 10 40 GECB CCN1C(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C(=O)N(CC)C1=O 2773332 LLEPYYNSQSCJNS-UHFFFAOYSA-N 397.225 2.377 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3c(C)nc4ccccc4c3=O)CC2)cc1 7220441 XQDUHJQWOAYHAS-UHFFFAOYSA-N 392.459 2.062 10 40 GECB CN1CCN(c2ccc(CNC(=O)c3cccc(N4CCCC4=O)c3)cc2)CC1 219218349 GGUPDQJRYGQNBC-UHFFFAOYSA-N 392.503 2.495 10 40 GECB CN1C(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccncc2)C(=O)N(C)C1=O 7913414 WYWVWWDZZLUYMK-UHFFFAOYSA-N 387.399 2.368 10 40 GECB COc1cc(N2CCCC2)c(OC)cc1/C=C1/SC(=O)N(CC(=O)O)C1=O 409133831 UMUKAKLCLXHIMZ-OVCLIPMQSA-N 392.433 2.425 10 40 GECB CN1C(=O)/C(=C\c2ccc(C(=O)N3CSC[C@H]3C(=O)O)cc2)SC1=S 5374752 JGQIBIWIZSGQJL-DREKTBMASA-N 394.499 2.117 10 40 GECB O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 409209284 IORQJKCRSBJIHK-RIYZIHGNSA-N 382.288 2.169 10 40 GECB COc1ccccc1/C=C1/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O 2406219 ALVTZVWDEIIUBH-ZDIKFAODSA-N 381.431 2.214 10 40 GECB CC(C)[C@@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O 5374746 VRXLZFHVAWUGDH-YQCJOKCJSA-N 378.475 2.357 10 40 GECB CC(/C=C1\SC(=S)N(C=C2C(=O)NC(=O)NC2=O)C1=O)=C\c1ccccc1 8665120 OSEJWEDHCMQAEQ-SAJCGKLUSA-N 399.453 2.084 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc3c(c2)OCCCO3)cc1 8720370 SRVFLRIESLVFDO-UHFFFAOYSA-N 399.447 2.177 10 40 GECB COc1cc(Br)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1OC 9258961 JQBVKWBVIPGXMK-UHFFFAOYSA-N 399.266 2.065 10 40 GECB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 409002462 ZZYVGERBTWQBRP-DHDCSXOGSA-N 381.388 2.192 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccc(F)cc3)CC2)cc1 5404972 YMBKXXJLFMCEFV-UHFFFAOYSA-N 386.423 2.269 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)c3ccccc3F)nnc2n1 3246016 QEBHSNYJMSVTSR-UHFFFAOYSA-N 375.433 2.497 10 40 GECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OC)c(OC)c1 12528864 LHDNZWSHVMCJHC-PTNGSMBKSA-N 375.421 2.413 10 40 GECB COc1ccc(/C=C2\C(=O)N=C(O)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 17198399 NAOLPRRNKTWLBV-OQLLNIDSSA-N 396.355 2.273 10 40 GECB CCCCN1C(=O)[C@H]2[C@@H](c3ccccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 4581186 WTQZZTGGLKXCSY-KYFSNAEOSA-N 388.464 2.307 10 40 GECB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 4736911 POFUZWMKXAEQGS-PWDRBQJJSA-N 375.400 2.134 10 40 GECB O=C1OC(c2ccc(O)c(O)c2O)(c2ccc(O)c(O)c2O)c2ccccc21 9818402 SDUDVCDCBOXLNZ-UHFFFAOYSA-N 382.324 2.383 10 40 GECB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N/C(N)=O)cc1)/N=N/C(N)=O 17211898 CGQMNQSWTBDETI-UFTFEWTDSA-N 390.404 2.183 10 40 GECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1Br 13654238 GPWNEDUQSJIQFB-LCFDYFRESA-N 398.282 2.150 10 40 GECB CCC[C@H](C(=O)O)N1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S 1793731 PFVQMUISTIVVHL-GXZRWPEMSA-N 376.459 2.488 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(F)cc3F)CC2)cc1 3555536 HZPLLHVKPMNICC-UHFFFAOYSA-N 390.386 2.479 10 40 GECB N=C1/C(=C/c2ccc3c(c2)OCO3)C(=O)N=C2SC(c3cccnc3)=NN12 6101360 UEGURDFGPFKRMG-IJVJCDDPSA-N 377.385 2.478 10 40 GECB CCCCN1C(=O)[C@H]2[C@H](c3ccccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 4581183 WTQZZTGGLKXCSY-MXTNKPTQSA-N 388.464 2.307 10 40 GECB CCCN1C(=O)/C(=C/N2C[C@@H]3C[C@@H](C2)c2cccc(=O)n2C3)SC1=S 100788746 KHJKPVXTKZPIHE-UCASCVRBSA-N 375.519 2.379 10 40 GECB biogenic Cc1cc(C)c(N2C(=O)NC(=O)/C(=C\NCCN3CCCCC3)C2=O)c(C)c1 100776389 ZFOPPYYVABYGRD-GHRIWEEISA-N 384.480 2.154 10 40 GECB O=C(CCN1CCOCC1)OCC1(c2ccccc2)C(=O)c2ccccc2C1=O 34738097 WZSVGEGIFMCLPS-UHFFFAOYSA-N 393.439 2.269 10 40 GECB O=C(CN1CCOCC1)Nc1c(Cl)ccc2c1C(=O)c1ccccc1C2=O 36559048 MCULGZLACOIAAA-UHFFFAOYSA-N 384.819 2.386 10 40 GECB COC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cccc(C(=O)O)c3C)o2)C1=O 4813719 WNFOHGBBVVHJFR-RIYZIHGNSA-N 384.344 2.019 10 40 GECB COc1ccc(CN2C(=O)N=C(O)/C(=C/NCCN3CCCCC3)C2=O)cc1 102619256 AWJOSQWWSZQBQG-LGMDPLHJSA-N 386.452 2.073 10 40 GECB CCc1c(C)sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1C(N)=O 27917590 UTHOJPROFCRVER-UHFFFAOYSA-N 381.479 2.477 10 40 GECB CCN1CCN(C(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)CC1 4745905 DGLIFXKDMHMADH-NTCAYCPXSA-N 375.519 2.295 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1cccn1-c1cccc(Br)c1 4663338 KQEJOFYLNXCQJI-UHFFFAOYSA-N 376.235 2.154 10 40 GECB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 408905121 TZGYHUNHBAWDTP-MDWZMJQESA-N 383.385 2.440 10 40 GECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 5033153 AWIBMSZVQYQRBY-RYPVXOHGSA-N 391.426 2.135 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3N3CCOCC3)C2=O)cc1 408899392 OXKJUCGUOAELCA-JXAWBTAJSA-N 391.427 2.498 10 40 GECB COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 409002980 XRGHRLGVXULPNA-ZSOIEALJSA-N 398.375 2.103 10 40 GECB Cc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC(C)C)o1 20207110 DXGXCCVBQGRORU-IUJVOJJXSA-N 380.451 2.235 10 40 GECB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 408789604 MWDREDYFFITEQV-YVLHZVERSA-N 386.448 2.269 10 40 GECB COC(=O)c1ccccc1-c1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)o1 408963519 ZUJCYRZXMLKBSU-UHFFFAOYSA-N 384.413 2.332 10 40 GECB COCCOC(=O)[C@@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 4482900 MABXWYQRGHBTOA-QQMDNXKGSA-N 396.446 2.374 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)N(C)C)cc1 5340573 LQKJEUJPKWXWBQ-GOSISDBHSA-N 399.451 2.018 10 40 GECB COc1ccc(N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)c([N+](=O)[O-])c1 107856394 KTOJNOXLJCMNPT-UHFFFAOYSA-N 386.364 2.474 10 40 GECB COCCN1C(=O)/C(=C/c2ccc(N(C)C)o2)C(=O)N(c2ccccc2)C1=O 409010396 KHYZZLKFFMOOPB-SSZFMOIBSA-N 383.404 2.371 10 40 GECB Cn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCNC1=O 7737514 CDMVCNKXZSVWGD-UHFFFAOYSA-N 395.282 2.494 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccc(C)cc3)CC2)cc1 7070923 DKQDCXHQYOIAFD-UHFFFAOYSA-N 382.460 2.438 10 40 GECB CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)O)cc2)C1=O 408939069 LPHHSNQNDLSBSR-RVDMUPIBSA-N 380.356 2.450 10 40 GECB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138429 QTNVEBOVNRIAQB-FQEVSTJZSA-N 386.540 2.237 10 40 GECB Cc1cccc(NC(=O)CN2CCN(Cc3cc4c(cc3O)OCO4)CC2)c1C 22797739 QEEVPCIFFLXLNB-UHFFFAOYSA-N 397.475 2.494 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@]1(N2CCOCC2)CCSC1 42344189 UXXMOXKZSUAKDB-HXUWFJFHSA-N 392.569 2.102 10 40 GECB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(CC(=O)N3CCCC3)=NN12 5120290 IWGKVLNNLKHHAR-NXHHHXCLSA-N 383.433 2.024 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@H](C(=O)O)C(C)C)C2=O)cc1 5374935 GPJVITVYTKDPNI-NRUITVPNSA-N 392.502 2.422 10 40 GECB CN(C)c1ccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)cc1 12507744 WQOHUAXHJGXLNP-GOSISDBHSA-N 378.436 2.360 10 40 GECB Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCN2CCCS2(=O)=O)c1 72059590 LUORQNHHFBKPPL-UHFFFAOYSA-N 375.494 2.168 10 40 GECB COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Br 1097004 CXKUZIXZVNYVCB-XVNBXDOJSA-N 389.658 2.368 10 40 GECB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135700 XYMFWQHMYPHWJJ-FQEVSTJZSA-N 386.540 2.094 10 40 GECB O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1)c1ccc(O)c(O)c1 16493769 ZODHHONVOUZENQ-UHFFFAOYSA-N 394.412 2.495 10 40 GECB NC(=O)C1CCN(C2=NC(=O)/C(=C/c3c[nH]nc3-c3ccccc3)S2)CC1 4019829 UIEYNLQASMWMIK-GDNBJRDFSA-N 381.461 2.244 10 40 GECB CC(=O)OCc1cc(OC(C)=O)c2c(c1)C(=O)c1cccc(OC(C)=O)c1C2=O 4104917 XWXLCJZCCDHZGN-UHFFFAOYSA-N 396.351 2.376 10 40 GECB biogenic,in-vitro COCCCN1C(=O)/C(=C/c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1C 5388576 JJWGGZPTYISWHD-RVDMUPIBSA-N 375.421 2.413 10 40 GECB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N\C(N)=O)cc1)/N=N/C(N)=O 104292292 CGQMNQSWTBDETI-HOZVARIWSA-N 390.404 2.183 10 40 GECB C[C@H](Oc1ccc(N)cc1)C(=O)OCCOC(=O)[C@H](C)Oc1ccc(N)cc1 114669432 IYYAIMHNNHKAFQ-KBPBESRZSA-N 388.420 2.172 10 40 GECB C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1 2232550 NZABWYPZUVESCR-ITTMYVLYSA-N 385.488 2.099 10 40 GECB COc1ccc(N2CN=c3s/c(=C\c4cccc(Cl)c4)c(=O)n3C2)cc1 2255255 DRRRGQUTKCDFSR-YVLHZVERSA-N 385.876 2.455 10 40 GECB CN1C(=O)/C(=C\c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)SC1=S 8411881 ABOCDHKTDVAEGW-UWZYDCLUSA-N 392.502 2.192 10 40 GECB COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 409114038 ICUHKCAGRGTESH-XNTDXEJSSA-N 376.434 2.041 10 40 GECB COc1ccc(N2CCN([C@@H](CNC(C)=O)c3ccc4c(c3)OCO4)CC2)cc1 90485759 UIAGJUDCEUWGBC-FQEVSTJZSA-N 397.475 2.423 10 40 GECB Cc1cc(N2CCOCC2)ccc1CN1CCC(O)(Cn2ccnc2C)CC1 19570638 PHMLKNJPLRQGIE-UHFFFAOYSA-N 384.524 2.364 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N(CC)CCO)C2=O)cc1 4174715 WORXTCURMABDTH-PTNGSMBKSA-N 394.518 2.127 10 40 GECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(S(N)(=O)=O)cc1 100422855 LJUPOCQLEUQOSU-AQTBWJFISA-N 384.461 2.120 10 40 GECB COc1cccc([C@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1O 9156262 BXKYTPZCGAICDN-KRWDZBQOSA-N 381.392 2.008 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2[N+](=O)[O-])N2CCOCC2)cc1 22664806 WPOKVONCNDXLTH-FQEVSTJZSA-N 398.463 2.464 10 40 GECB O=C(c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O)N1CCCC1 24976980 WXUFLSQBFCXVFM-UHFFFAOYSA-N 391.405 2.337 10 40 GECB COc1cc2c(cc1/C=C1/C(=O)NC(=S)N(c3ccccc3)C1=O)OCO2 409072973 OEOSNTCYQIVAMW-QPEQYQDCSA-N 382.397 2.255 10 40 GECB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC[C@H]1CCCO1 4999651 AGJCTFUIJBWXKW-YZYPPFLQSA-N 387.436 2.004 10 40 GECB CCN1C(=O)c2ccc(C(=O)Nc3cc(OC)c(OC)cc3C(=O)O)cc2C1=O 4173376 FNDLYJQFOLDVKB-UHFFFAOYSA-N 398.371 2.270 10 40 GECB O=C1NC(=O)C(=Cc2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1 4598886 OBAKMGSMGISYOD-UHFFFAOYSA-N 375.384 2.470 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N(C)C)cc1 4330448 HHNJLPDHBIIZKW-SFHVURJKSA-N 390.434 2.388 10 40 GECB O=C(NC[C@H]1CCCO1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 257173224 HBDJKZJIWVUJCN-RTBURBONSA-N 382.460 2.320 10 40 GECB COc1cccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4c(c3)OCO4)C2=O)c1 6007365 LZTPRQHDJKJPMT-NTEUORMPSA-N 381.344 2.003 10 40 GECB COc1ccc(OC)c(S(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 49740578 XVUYREYGTXPXEW-UHFFFAOYSA-N 392.477 2.019 10 40 GECB COc1ccc(N2CCN(C(=O)COc3ccc(NC(C)=O)cc3)CC2)cc1 4245881 UHLRPCXSGDZINN-UHFFFAOYSA-N 383.448 2.381 10 40 GECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NCc3ccccc3)N(C)C)ccc21 13008511 QTKFIQJZHFSDLI-NRFANRHFSA-N 394.519 2.104 10 40 GECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NN1CCCC[C@@H]1c1cccnc1 12659378 NDDMIHNQRKCUAR-HGLWPWQMSA-N 391.431 2.280 10 40 GECB biogenic CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 408937161 MOWLZNFWDMQIPY-NTEUORMPSA-N 397.343 2.366 10 40 GECB O=C(NN1C(=O)/C(=C/c2ccc(O)cc2O)SC1=S)c1cccc(O)c1 5214745 XYKXECIVKBHUOC-AUWJEWJLSA-N 388.426 2.350 10 40 GECB C[C@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374972 GYSQGZQMCCYOHL-RWRICWLPSA-N 390.486 2.423 10 40 GECB CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392515 IAHPYXTTWQTPLS-OAQYLSRUSA-N 394.519 2.104 10 40 GECB COc1ccc(NN/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1 408530653 JLBLETUKDDACDK-LFIBNONCSA-N 380.404 2.395 10 40 GECB COc1ccc(N2CCN(S(=O)(=O)Cc3cccc([N+](=O)[O-])c3)CC2)cc1 178612100 ZKHJTQGORBNICH-UHFFFAOYSA-N 391.449 2.255 10 40 GECB CC(=O)[C@@H](/N=N/c1ccccc1C(=O)O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 100045257 YMFWVWDPPIWORA-MTLKIYMJSA-N 381.348 2.234 10 40 GECB O=Cc1ccc(/N=N\c2ccc(C=O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O 104354366 DZIXDWJJFHKRPB-NXVVXOECSA-N 398.374 2.220 10 40 GECB CCN(CC)c1ccc(CNC(=O)c2cccc(S(=O)(=O)NC)c2)cc1 57117604 RCLLZVLWIKHPOC-UHFFFAOYSA-N 375.494 2.371 10 40 GECB CC1=NN(c2ccc(C(=O)NCc3ccc(N4CCNC(=O)C4)cc3)cc2)CC1 49743303 PCXIEFSFRLIHBA-UHFFFAOYSA-N 391.475 2.139 10 40 GECB CCOC(=O)c1cc(-c2ccccc2)sc1NC=C1C(=O)NC(=O)NC1=O 8477345 CUXUZYIQMXGWHE-UHFFFAOYSA-N 385.401 2.254 10 40 GECB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 1875761 MLSZUORBKLDDQP-UKTHLTGXSA-N 388.430 2.480 10 40 GECB COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1COc1ccc(F)cc1F 4646527 PFOOCGLUQQFSAL-UHFFFAOYSA-N 388.326 2.302 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1 9117774 HUSBIXIGKGQTIM-UHFFFAOYSA-N 386.408 2.232 10 40 GECB CN1C(=O)/C(=C\c2cc(Cl)c(O)c(Br)c2)C(=O)NC1=S 4682211 QIZLAXFSVHYZMG-KXFIGUGUSA-N 375.631 2.065 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3F)N(C)C)ccc21 8963908 OFTDWBCKEKEVEL-IBGZPJMESA-N 384.455 2.176 10 40 GECB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1 8859975 ZIWYLPGMTQRJMM-UHFFFAOYSA-N 393.406 2.371 10 40 GECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 18203994 ULBCFZRRYJXTOY-GZTJUZNOSA-N 378.388 2.219 10 40 GECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC#N 108988659 TVQCABPNSMPUEG-GDNBJRDFSA-N 379.372 2.068 10 40 GECB COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 408548826 LSDZZYPJRNQAQX-SXGWCWSVSA-N 398.375 2.068 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c([nH]c1=O)CCCC2=O 40039695 FMJBJMRFCJWXIJ-UHFFFAOYSA-N 395.459 2.003 10 40 GECB O=C(NCc1ccc(N2CCSCC2)cc1)[C@H]1CC(=O)N(Cc2ccco2)C1 48368342 LJGHWSBDIHYDFK-KRWDZBQOSA-N 399.516 2.498 10 40 GECB CCOc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 5475577 WDLQTZVYIQIJDT-GDNBJRDFSA-N 382.372 2.466 10 40 GECB COc1ccc(N2CCN(C(=O)COc3ccccc3NC(C)=O)CC2)cc1 6038774 GKTXXLUSDJKQSR-UHFFFAOYSA-N 383.448 2.381 10 40 GECB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C\c1ccc(N2CCCC2)cc1F 15013709 CNAPITPZJMHVPK-YBEGLDIGSA-N 380.379 2.487 10 40 GECB COC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)OC3 16034463 GYCQLVLKIFAANO-UHFFFAOYSA-N 377.466 2.353 10 40 GECB CC(C)Oc1ccc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1Br 408913020 JQJBWBKKOZYCDF-UXBLZVDNSA-N 383.267 2.493 10 40 GECB NS(=O)(=O)c1ccc(N2C(=O)/C(=C\c3ccccn3)SC2=S)cc1 6497227 VGLLGOCHNBEXRI-UKTHLTGXSA-N 377.472 2.135 10 40 GECB N=C1/C(=C/c2c[nH]c3ccccc23)C(=O)N=C2SC(N3CCOCC3)=NN12 41084461 DMXHYNXOVZJIEH-CXHQGSNTSA-N 380.433 2.077 10 40 GECB CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408914933 RWCXGXASZZPBKS-WEVVVXLNSA-N 399.266 2.113 10 40 GECB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 408942616 ZSPBSHOYROKXJC-NTEUORMPSA-N 382.288 2.169 10 40 GECB NC(=O)[C@@H]1CCCN(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)C1 29923449 DDGJQRNVQLSOCN-CYBMUJFWSA-N 385.386 2.062 10 40 GECB C[C@@H](Oc1ccc(N)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N)cc1 114669428 IYYAIMHNNHKAFQ-ZIAGYGMSSA-N 388.420 2.172 10 40 GECB CCCN1C(=O)/C(=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c2ccccc21 1281987 CHBPSJFLJDCGDA-LZTQFINJSA-N 376.459 2.488 10 40 GECB CN1C(=O)/C(=C/NCC[C@@H](c2ccc(F)cc2)c2ccco2)C(=O)NC1=S 5887543 UHOGMUITTBLQBY-AYYGCFCKSA-N 387.436 2.287 10 40 GECB O=S(=O)(NC1CCN(Cc2cc3c(cc2O)OCO3)CC1)c1cccs1 27534859 SZTCFLALCBSDAS-UHFFFAOYSA-N 396.490 2.125 10 40 GECB COc1ccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 2451245 FWOUXDGZSTXGPT-OYGDSYQHSA-N 381.431 2.214 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(F)cc3)nnc2n1 4570524 WLRQWBQUONJPHP-UHFFFAOYSA-N 390.448 2.253 10 40 GECB CCNc1nc(NCC)nc(NNC(=S)Nc2ccc(OCC)cc2)n1 4063930 PJYNIBOJDHKFRE-UHFFFAOYSA-N 376.490 2.447 10 40 GECB CC1(C)C[C@H]2C[C@@]1(C)CN2c1ccc([N+](=O)[O-])cc1C=C1C(=O)NC(=O)NC1=O 103763112 LNTHIDOQNIEQJQ-RBZFPXEDSA-N 398.419 2.359 10 40 GECB C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1 16810417 NZABWYPZUVESCR-LMRAXHDRSA-N 385.488 2.099 10 40 GECB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)N1CCNC1=O 14095677 BSRUGBFEXVGGJE-OAHLLOKOSA-N 386.477 2.373 10 40 GECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1O[C@@H](C)C(=O)O 34718532 UOHIWZDCDBIPHY-RERGGYADSA-N 396.399 2.399 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N(C)C)cc1 5340568 FQXDHMBPEMONEC-SFHVURJKSA-N 399.451 2.018 10 40 GECB O=C(NN1C(=O)/C(=C\c2ccc(O)c(O)c2)SC1=S)c1ccc(O)cc1 5346384 VTHGARSTIHQKIO-RIYZIHGNSA-N 388.426 2.350 10 40 GECB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@H]1c1ccc(O)c(O)c1 14608302 ZZIPKIHTIMKDFY-OAHLLOKOSA-N 394.383 2.197 10 40 GECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1F 8963926 ZATBXHLQAANAMM-HXUWFJFHSA-N 398.482 2.484 10 40 GECB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(C)c3)C1=O)OCO2 409074977 WAHUGSVKMQFBTQ-AUWJEWJLSA-N 380.356 2.399 10 40 GECB COC(=O)c1ccc(-n2c(C)cc(C(=O)COC(=O)C3=COCCO3)c2C)cc1 3542722 LFQPFOSEJWFJAC-UHFFFAOYSA-N 399.399 2.495 10 40 GECB CN(C)c1ccc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-] 6319914 MKKKFEUIYXLGKU-XYOKQWHBSA-N 381.435 2.337 10 40 GECB O=C1NC(=S)S/C1=C\N1N=C(c2ccc3c(c2)CCCC3)C[C@H]1C(=O)O 256027973 MHXQSPMOZUTEHU-BUYRESAOSA-N 387.486 2.418 10 40 GECB CCCCN1C(=O)NC(=O)/C(=C\NC2CCN(Cc3ccccc3)CC2)C1=O 100794121 SVSPEYGLHMFUNK-NBVRZTHBSA-N 384.480 2.003 10 40 GECB O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 408535382 SNBBCLYSBBHHNG-FOWTUZBSSA-N 379.372 2.002 10 40 GECB COc1ccc(OC)c2c1C(=O)c1c(OC(C)=O)ccc(OC(C)=O)c1C2=O 4568249 BHWJIDLCXPSVEU-UHFFFAOYSA-N 384.340 2.330 10 40 GECB CCOC(=O)[C@@H](C)Oc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33622726 WTVBHTGFTACKDP-CPZHOGDASA-N 380.400 2.478 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1[N+](=O)[O-] 408911970 PFDDUYRYQQGJBP-NTUHNPAUSA-N 385.307 2.409 10 40 GECB C[C@@H](Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 107982049 QCOSMCSAHUMYAB-GPLLRDDGSA-N 395.415 2.066 10 40 GECB CN(C)c1ccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)cc1[N+](=O)[O-] 21548969 MKKKFEUIYXLGKU-WQLSENKSSA-N 381.435 2.337 10 40 GECB CCN1C(=O)C(=Cc2ccc(N3CCOCC3)cc2C)C(=O)N(CC)C1=S 409104190 GKDHTDSYHSGYRX-UHFFFAOYSA-N 387.505 2.211 10 40 GECB CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1 4999327 MLZJHUBNRVZBFL-LFIBNONCSA-N 386.404 2.033 10 40 GECB O=c1oc2c(CNCCN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2 95190941 MRPHCALZPLHUPP-UHFFFAOYSA-N 392.883 2.453 10 40 GECB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(SC)cc3)C(=O)N=C2S1 41083952 CDEZEDLJXYVOAN-KRLNTZMLSA-N 394.503 2.420 10 40 GECB CC(C)(C)OC(=O)NC1CCN(c2cc3c(cc2[N+](=O)[O-])OCC(=O)N3)CC1 79096329 SHIJVVWGRFWQMN-UHFFFAOYSA-N 392.412 2.419 10 40 GECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3ccc(O)c(OC)c3)C2=O)c1 9360318 KIKWNTXCYZMILC-MDWZMJQESA-N 398.371 2.084 10 40 GECB O=C1N[C@H]2C=CC=C[C@@H]2/C1=C1/SC(=S)N(CCOc2ccccc2)C1=O 13547148 RCLDZWZBRXFTOC-FEFBVGIVSA-N 384.482 2.420 10 40 GECB CC(C)OC(=O)COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 107820046 SKDIRVYJDKDTCB-ATVHPVEESA-N 380.400 2.478 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1CCN(C(=O)C2CC2)CC1 39995692 GJHRRIZNFYWTPE-UHFFFAOYSA-N 385.508 2.130 10 40 GECB COCCN1C(=O)/C(=C/c2cc(C)n(C3CCCC3)c2C)C(=O)NC1=S 4656235 IFZNJJXUUXMPIP-LFIBNONCSA-N 375.494 2.493 10 40 GECB COc1ccc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)cc1OC 41084948 ZBVMQETWNUOPOZ-DTPIYVASSA-N 385.449 2.376 10 40 GECB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1[N+](=O)[O-] 59417350 XAPINNWMMUXNNR-NTEUORMPSA-N 398.350 2.466 10 40 GECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 59475182 SCDXUKYJXTYZAM-QGOAFFKASA-N 379.416 2.391 10 40 GECB Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccccc1 6589589 WZDHXINGVGLZBB-UHFFFAOYSA-N 397.431 2.150 10 40 GECB CCCCC(=O)NC(=S)N1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1 408622894 QDZSMBZETJNWRI-UHFFFAOYSA-N 380.470 2.317 10 40 GECB COc1ccc(N2CCN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1 96900254 JVHKOVWMRXNVHN-FQEVSTJZSA-N 379.460 2.145 10 40 GECB O=C(CN1C(=O)/C(=C\c2ccccc2F)SC1=S)NCCc1c[nH]cn1 33543445 LVMQNFFTYVTTLC-VGOFMYFVSA-N 390.465 2.109 10 40 GECB O=C1NN(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]12 102788230 LMJHUJBYIRFMLE-FXAWDEMLSA-N 378.388 2.184 10 40 GECB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCc1ccc2c(c1)OCO2 5763076 JXBBCWKOZOBZGX-ZROIWOOFSA-N 399.790 2.325 10 40 GECB COc1ccc(N2CCN(C(=O)CN3C(=O)CC4(CCCCC4)C3=O)CC2)cc1 7046913 UREYNNZITUEKCM-UHFFFAOYSA-N 399.491 2.053 10 40 GECB COc1ccc(N2CCN([C@H](CNC(C)=O)c3ccc4c(c3)OCO4)CC2)cc1 90485760 UIAGJUDCEUWGBC-HXUWFJFHSA-N 397.475 2.423 10 40 GECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)o2)C1=O 2306900 DHHJSSBMRAWXAB-NTCAYCPXSA-N 381.388 2.091 10 40 GECB O=C(CCCOc1ccccc1F)NCc1ccc(N2CCNC(=O)C2)cc1 48365443 IPVYZFQLVVDTGX-UHFFFAOYSA-N 385.439 2.237 10 40 GECB O=C(O)CCCNC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 5374869 LAIUJLIWVHKDDH-ACCUITESSA-N 378.475 2.259 10 40 GECB COc1ccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]c3=O)CC2)cc1 40563527 UVOCFQZOBSXHQR-UHFFFAOYSA-N 392.459 2.213 10 40 GECB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 408914910 RMGHSKKSXZZWRV-OVCLIPMQSA-N 397.456 2.357 10 40 GECB COc1cc(C=C2C(=O)NC(=S)NC2=O)cc(Br)c1OC(C)C 6762710 IFDIVRBSVBXMNH-UHFFFAOYSA-N 399.266 2.159 10 40 GECB CCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)OC)C2=O)c2ccccc21 12635865 RQCGGHGIGZIOSR-MMZVIXLHSA-N 376.459 2.186 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1[N+](=O)[O-] 96935904 MDHGTBBKBFTPQP-RVDMUPIBSA-N 393.490 2.437 10 40 GECB C[C@H]1Cc2cc(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 5201284 BRDLDJIYNJREKU-WETXSBNHSA-N 395.527 2.398 10 40 GECB CCOc1ccc(C(=O)O)cc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O 408829417 NYLRGUAGKAQQLZ-XNTDXEJSSA-N 396.355 2.156 10 40 GECB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(S(=O)(=O)CC)C2)cc1 224382090 WIEMXAQNDPXMAA-QGZVFWFLSA-N 381.542 2.211 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1n[nH]c(=O)c2ccccc12 10906759 SBWWDAOWGOAEOJ-UHFFFAOYSA-N 378.432 2.032 10 40 GECB COc1cccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1O 19313370 GBPHPYHRWUPHQX-UHFFFAOYSA-N 376.478 2.216 10 40 GECB N=C1/C(=C\c2ccc(C(=O)O)cc2)C(=O)N=C2SC(c3ccncc3)=NN12 49735079 RDPJDBKEEBIUOB-KOKPZHPOSA-N 377.385 2.447 10 40 GECB Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1N1CCOCC1 4973742 NVCJERGDIVYIJN-GHRIWEEISA-N 383.448 2.236 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)N[C@H](C)c2ccccc2OC)cc1 12802850 MDEMHBVEQMQSOC-OAHLLOKOSA-N 385.464 2.263 10 40 GECB CN1CCCc2cc([C@H](CNC(=O)C(=O)Nc3ccccc3)N(C)C)ccc21 13008685 FRWUYKZQXGHCJB-FQEVSTJZSA-N 380.492 2.427 10 40 GECB N=C1/C(=C\c2ccc(O)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 5112125 BRDPHEIXJFRQCD-KPZJPCGCSA-N 397.460 2.414 10 40 GECB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)NCCCn1ccnc1 33585622 YJEDDMOJWGKPOQ-UKTHLTGXSA-N 392.531 2.352 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2ccccc2Cl)cc1 3032586 DQIJHLOWQAMHBI-UHFFFAOYSA-N 386.816 2.474 10 40 GECB CCC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 27533072 PFXIIGIUEHKVLN-AUWXEVLLSA-N 378.475 2.257 10 40 GECB Cc1ccc(C(=O)O)cc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 408999449 LEHPVXUHGOGIJA-UHFFFAOYSA-N 383.429 2.015 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCC3)N3CCCCC3)ccc21 13007858 QGPCAJMRIMDSKV-NRFANRHFSA-N 398.551 2.381 10 40 GECB Cc1ccc(N2C(=O)/C(=C/NCc3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 101037407 YSNJJEMLIAIXSX-XNTDXEJSSA-N 395.440 2.145 10 40 GECB CCN(CC)CCCN/C=C1\C(=O)NC(=S)N(CCC2=CCCCC2)C1=O 2386223 OJMCJTKKDBKASJ-BMRADRMJSA-N 392.569 2.326 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc2c(c1)NC(=O)CO2 10907341 CJNHHARHXVBVND-UHFFFAOYSA-N 381.432 2.126 10 40 GECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCCOc1ccccc1 4615021 BNSXPARJOCYKGI-UHFFFAOYSA-N 398.440 2.067 10 40 GECB CC(C)OC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35128886 ARJYMXZYFDQJAX-PDGQHHTCSA-N 380.400 2.478 10 40 GECB COc1cccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1OC 19800580 LZEPYXDDHUOUAX-ZWSXMNCCSA-N 399.515 2.092 10 40 GECB COc1cc(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc(OC)c1O 6180724 HVKBUPZEWNNCED-XNTDXEJSSA-N 396.399 2.114 10 40 GECB CN1N=C(c2ccccc2O)/C(=C\c2c(-c3ccccc3O)nn(C)c2O)C1=O 6494270 LZMOSQVQXPUMNT-RVDMUPIBSA-N 390.399 2.464 10 40 GECB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@@H]1c1ccc(N(C)C)cc1 6711572 CRVRFORGKPPEEW-QGZVFWFLSA-N 399.516 2.335 10 40 GECB O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCOCC1 1009677 MXELWEDWZSHGRP-SDNWHVSQSA-N 380.466 2.276 10 40 GECB Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1c(O)ccc2ccccc12 104279869 BYHKGJVLAFKMAQ-LJQANCHMSA-N 391.431 2.071 10 40 GECB COCCNC(=O)NC(=O)COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 3417505 ZNYQHBTYNBTYAK-UHFFFAOYSA-N 387.436 2.032 10 40 GECB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC(=O)O)NC1=S 3662893 OHVXGFMIVDGXMU-XFFZJAGNSA-N 399.266 2.380 10 40 GECB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCCCC3)C2=O)cc1 19994566 XMPLKDWSGKUJPH-NBVRZTHBSA-N 384.480 2.352 10 40 GECB COC(=O)/C=C1/SC(N2N=C(c3ccccc3)C[C@@]2(O)C(F)(F)F)=NC1=O 1415545 WGUULRUXHQIXMI-XKOZXHHJSA-N 399.350 2.034 10 40 GECB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 4839141 HKZTXBYJDGFFGR-XFFZJAGNSA-N 378.138 2.412 10 40 GECB O=C(O)CN1C(=O)/C(=C\c2cccn2-c2cccc(C(=O)O)c2)SC1=S 9189744 VZMWXSXQFSXPOZ-MDWZMJQESA-N 388.426 2.461 10 40 GECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(N2CCCC2)o1 6243418 AKOJYKJGTDIWTK-UVTDQMKNSA-N 395.371 2.275 10 40 GECB COc1cccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)c1 4590339 RASLQGWGNFOSGB-UHFFFAOYSA-N 398.440 2.067 10 40 GECB COc1ccc(N2CCN(CCNS(=O)(=O)c3ccc(C)cc3)CC2)cc1 56966073 FATNXYDSTDUSKK-UHFFFAOYSA-N 389.521 2.104 10 40 GECB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 59489895 VHPVPNXGDJDLBR-UHFFFAOYSA-N 388.376 2.185 10 40 GECB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)c1 4826232 FFVWXPGYTIZUCO-MLPAPPSSSA-N 395.327 2.298 10 40 GECB O=C1N=C(S)N(c2ccccc2Cl)C(=O)/C1=C\NCCN1CCCCC1 102495156 LAVCHFSLJIYDRC-SEYXRHQNSA-N 392.912 2.458 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3cccc(F)c3)N(C)C)ccc21 8963919 OIIHENDUCCSFEB-LJQANCHMSA-N 384.455 2.176 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(OC)c1 408947746 DATWARLUMQZZLF-VGOFMYFVSA-N 396.355 2.099 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)cc1C 6131732 GUEPIWDKJAEBFE-MHWRWJLKSA-N 393.399 2.289 10 40 GECB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)cc(OC)c1O 408810882 LLLDYZOZWAXZSM-GFCCVEGCSA-N 385.214 2.354 10 40 GECB CC(=O)N1C(=O)/C(=C2\SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 16661286 LFKCTVGHCSUFQG-YPKPFQOOSA-N 390.442 2.016 10 40 GECB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1 49740696 SEGCAYIGLVBTEK-UHFFFAOYSA-N 377.485 2.364 10 40 GECB COC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 4740077 NQNRDFFDLHDUGQ-YBEGLDIGSA-N 395.415 2.219 10 40 GECB O=S(=O)(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc2nsnc12 19079691 XBYUHKHRRYHGPX-UHFFFAOYSA-N 399.461 2.481 10 40 GECB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C\NCCN1CCCCC1 19359235 KXZAAMCDKQZGSV-SDXDJHTJSA-N 392.459 2.382 10 40 GECB CCS(=O)(=O)C1=NN2C(=N)/C(=C/c3c[nH]c4ccccc34)C(=O)N=C2S1 41083939 AUEIRKXPDXFFGA-JPEQSOJWSA-N 387.446 2.179 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccc(C)cc3)nnc2n1 27525794 IMPMLSPRMLYQOD-UHFFFAOYSA-N 386.485 2.422 10 40 GECB C#CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 33366380 DONYWFOHLODXMR-GDNBJRDFSA-N 393.355 2.077 10 40 GECB Nc1cc(N)c(S(=O)(=O)O)cc1/N=N/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O 4235568 YELYYJBDBXBBTL-FOCLMDBBSA-N 398.313 2.035 10 40 GECB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NN1CCOCC1 1894826 UZKPIFJEFYOMST-QBFSEMIESA-N 397.547 2.093 10 40 GECB COC(=O)Cn1c(-c2ccc(Br)cc2)cnc1SCC(N)=O 44085292 WCDZFDSWDLFLTD-UHFFFAOYSA-N 384.255 2.063 10 40 GECB COc1cc(OC)c(/N=N/c2[nH]cnc2C(=O)N2CCOCC2)c(OC)c1 4817965 VZJWAQMHSRSKGU-QZQOTICOSA-N 375.385 2.323 10 40 GECB O=C1N[C@@H]2C=CC=C[C@H]2/C1=C1/SC(=S)N(CCOc2ccccc2)C1=O 13547150 RCLDZWZBRXFTOC-PSVJWRSCSA-N 384.482 2.420 10 40 GECB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)N1CCOCC1 4176465 BTDUSVRZGSPRIU-SDNWHVSQSA-N 380.466 2.276 10 40 GECB COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)c([N+](=O)[O-])c1 4125183 ZSGGCPKDOZKMHG-UHFFFAOYSA-N 376.325 2.067 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC(C)(C)C)N3CCCCC3)ccc21 13008069 ZKVQCVKRTFJDEN-LJQANCHMSA-N 386.540 2.237 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2cccc(OC)c2)C1=O 103221682 RPDVLRAVPKWFMU-SSZFMOIBSA-N 390.509 2.060 10 40 GECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 3641695 BEZOCJJRCCRLAY-UMQYOCJBSA-N 376.415 2.297 10 40 GECB COCCN1C(=O)/C(=C/c2ccc(OCC(=O)O)c(OC)c2)SC1=S 9189378 FHKHCJLGSNNGCP-JYRVWZFOSA-N 383.447 2.006 10 40 GECB CC(=O)N1CCN(C(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 28268083 FJYZKPKLJKUNHB-UHFFFAOYSA-N 383.448 2.170 10 40 GECB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 1175258 LVKQQODCQDEJII-DHDCSXOGSA-N 381.388 2.192 10 40 GECB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 12548842 WBRHQAZLPPMTSL-ZSOIEALJSA-N 393.515 2.230 10 40 GECB COc1ccc(N2CN=c3s/c(=C\C=C\c4ccccc4)c(=O)n3C2)cc1 5068761 VSUVQYVROYJRHW-VNVABUEJSA-N 377.469 2.467 10 40 GECB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)o3)C(=O)NC2=S)cc1 13570388 QHZQCENWLDOONJ-FOWTUZBSSA-N 397.456 2.256 10 40 GECB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6361307 USJURONIWHYKAY-BDJLRTHQSA-N 390.461 2.123 10 40 GECB N=C1/C(=C\c2ccc(O)c(O)c2)C(=O)N=C2SC(c3ccc(O)cc3)=NN12 5442994 FKGLDYLQFIXPLH-CRKOOCFNSA-N 380.385 2.471 10 40 GECB CC(=O)[C@]1(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O 104123351 WZGSRWZGMUIMAK-DPPKGPFUSA-N 388.405 2.241 10 40 GECB COc1cc(NC(=S)NC(=O)c2ccco2)c(N2CCOCC2)cc1OC 12323454 DUYDUGZDBVOPTL-UHFFFAOYSA-N 391.449 2.260 10 40 GECB O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCN1CCOCC1 12922860 PGWNQHDKYRJAJX-KAMYIIQDSA-N 379.463 2.128 10 40 GECB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 2246192 ORJMIJJVYBEJQQ-OQLLNIDSSA-N 397.456 2.357 10 40 GECB Cc1cc(=O)oc2c(CN3CCn4c(nnc4C(F)(F)F)C3)c(O)ccc12 95480183 ZXBIJHRPVLMUTM-UHFFFAOYSA-N 380.326 2.433 10 40 GECB COc1ccc(OC)c(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 13618986 PGFUXZXHEWPFMP-ZEVOCZHWSA-N 399.515 2.092 10 40 GECB COc1cc(/C=C2\SC(N3CCC(C)CC3)=NC2=O)ccc1OCC(N)=O 9188881 HSLGSUAFMOCQSK-YBEGLDIGSA-N 389.477 2.262 10 40 GECB COc1cccc([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1O 9156261 BXKYTPZCGAICDN-QGZVFWFLSA-N 381.392 2.008 10 40 GECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)c(OC)c2)C1=O 409226266 MLIPUJBZUFEBAS-JLHYYAGUSA-N 382.372 2.466 10 40 GECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 408904463 JVQYFSSRYJYPKI-NTEUORMPSA-N 397.343 2.366 10 40 GECB O=C(C[C@@H]1SC(=O)NC1=O)Oc1ccc(/C=C2\SC(=O)NC2=S)cc1 5766574 USPCHTAOOKSIOL-QFQXNISHSA-N 394.455 2.458 10 40 GECB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5340196 BUYDZGDZJWFOOZ-HXUWFJFHSA-N 382.508 2.096 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@@H](C)C(=O)O)C2=O)cc1 5374946 OCMIEARXWKSHRM-GJSJWPQCSA-N 378.475 2.176 10 40 GECB CCCCN1C(=O)NC(=O)/C(=C/NC2CCN(Cc3ccccc3)CC2)C1=O 20024933 SVSPEYGLHMFUNK-JXAWBTAJSA-N 384.480 2.003 10 40 GECB Cc1cccc(OCC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1 48367892 CGVXAEXDIUOKJP-SFHVURJKSA-N 381.476 2.392 10 40 GECB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 6240937 HQXHWFYOZSVAOL-QCDXTXTGSA-N 387.735 2.438 10 40 GECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 101089682 MFOJIYVGZRGFJZ-FMIVXFBMSA-N 399.790 2.325 10 40 GECB COc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)C(=O)NC2=S)cc1 408752720 GIINXJMUYFWHRO-BOPFTXTBSA-N 396.424 2.452 10 40 GECB COc1ccc(N2CCN(c3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])CC2)cc1 6250591 PKLUQRFEZZGQLF-UHFFFAOYSA-N 391.449 2.334 10 40 GECB Cc1cc(C(=O)COC(=O)c2nccnc2N)c(C)n1-c1ccc2c(c1)OCO2 4503648 ZTFIIPJFHWDUCH-UHFFFAOYSA-N 394.387 2.235 10 40 GECB C[C@@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 4330467 JMJWPDGFZQQNNH-OXQOHEQNSA-N 382.508 2.349 10 40 GECB CN(C)CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 54361031 ZAEWMSHIXQOIID-LCYFTJDESA-N 383.926 2.219 10 40 GECB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccccc4OC)C3=O)CC2)cc1 25480379 YKYDXLDEZLKNHB-LJQANCHMSA-N 395.459 2.158 10 40 GECB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1 2274257 LGHOCTJVZURYMT-UVTDQMKNSA-N 382.351 2.363 10 40 GECB O=C(C1=CN(c2ccccc2)c2cc(F)ccc2S1(=O)=O)N1CCOCC1 49004008 DRQVSYBUBDWMHR-UHFFFAOYSA-N 388.420 2.451 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)CCCN1C(=O)NC2(CCCC2)C1=O 57746288 VBFCTTHDLRCTCN-UHFFFAOYSA-N 386.496 2.356 10 40 GECB CCOC(=O)[C@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33622550 MQOTUTBSNNSMER-RVAQLADHSA-N 380.400 2.478 10 40 GECB O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1ccc(O)c(O)c1 13572570 IKSVZIYVXZLZLG-DHDCSXOGSA-N 388.401 2.086 10 40 GECB COc1ccc(N2CCN(C(=S)NC(=O)c3ccco3)CC2)c([N+](=O)[O-])c1 408621563 MREFKGMSTNMBQO-UHFFFAOYSA-N 390.421 2.033 10 40 GECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2cccc(C)c2)c1 408873448 RQNNPTGJMKHCBP-UHFFFAOYSA-N 382.441 2.497 10 40 GECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccccc2F)c1 408892475 BUUSDLMAGODEQH-UHFFFAOYSA-N 386.404 2.328 10 40 GECB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1 13671010 IPKPRECNAGQGDS-UHFFFAOYSA-N 391.449 2.218 10 40 GECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963847 XMKMVKBJGQSSNP-HXUWFJFHSA-N 396.491 2.045 10 40 GECB O=C1/C(=C/c2cccnc2)C(N2CCOCC2)=NN1c1ccc([N+](=O)[O-])cc1 32123356 ZVDXPTCKXCWFOW-SFQUDFHCSA-N 379.376 2.066 10 40 GECB NC(=O)Cn1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c2ccccc21 13535783 QEJOYKDXTCIRHC-OVCLIPMQSA-N 392.371 2.222 10 40 GECB O=C1CN(c2ccc(CNC(=O)c3ccc(Br)cc3)cc2)CCN1 40089853 RUOLVWLJPWDHJI-UHFFFAOYSA-N 388.265 2.315 10 40 GECB COc1ccc(-n2c(C)cc(C(=O)N(C)[C@H]3CCS(=O)(=O)C3)c2C)cc1 23183379 TYRHFEDAVPAFEX-INIZCTEOSA-N 376.478 2.362 10 40 GECB CC(C)c1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 20205739 WNDDBLPDSKTAGJ-XWFJYDPRSA-N 376.463 2.431 10 40 GECB CC[C@H](C)N1C(=O)/C(=C\NNC(=S)Nc2ccccc2)C(O)=NC1=S 38188369 PGTOACMXESJFEK-JMZICWNOSA-N 377.495 2.244 10 40 GECB CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\NC(=S)c1cccnc1 104304836 BADPPLNCWXSKIT-QINSGFPZSA-N 380.429 2.197 10 40 GECB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C\NCCCn1ccnc1 103106285 KGYAWRWYFSPHMI-SSZFMOIBSA-N 387.509 2.292 10 40 GECB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1 18181245 KVUFQIHEKHMFOT-HXUWFJFHSA-N 395.459 2.158 10 40 GECB COC(=O)CN1C(=O)N/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 408548085 DDXAPSCASPVTKC-MFOYZWKCSA-N 383.404 2.168 10 40 GECB COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 10327804 SMJYJRUPVBHVMR-UHFFFAOYSA-N 398.419 2.199 10 40 GECB CC(=O)N1CCN(c2ccc(OCC(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 32956468 LZWCJPOTAGGBPB-UHFFFAOYSA-N 397.431 2.101 10 40 GECB COC(=O)C1=CN(c2ccc3c(c2)OCO3)c2cc(F)ccc2S1(=O)=O 35511081 CFLBBVOZBGQIBY-UHFFFAOYSA-N 377.349 2.494 10 40 GECB CC1(C)N=C(N)N=C(N)N1c1cccc(OCCCOc2ccc(N)cc2)c1 1701929 NTPROZRRLDVEFJ-UHFFFAOYSA-N 382.468 2.302 10 40 GECB COc1ccc(N2CCN(C(=O)CSC(=S)N3CCCC3)CC2)cc1 71794581 PGKLGKAWOWVAIP-UHFFFAOYSA-N 379.551 2.458 10 40 GECB CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 1265319 FPVPPDQIBNJFPD-QINSGFPZSA-N 394.518 2.127 10 40 GECB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)N=C(O)N(C)C3=O)c2C)cc1 2443954 QKDIBUHZNYNBQZ-LICLKQGHSA-N 380.404 2.349 10 40 GECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc2c1OCO2 408960782 IXKOJPLPIMRUGB-AWNIVKPZSA-N 384.319 2.229 10 40 GECB CN(C)c1c(Br)cc([C@@H]2NCCC(=O)N2)cc1Br 408736729 GNRWIFFAXPISPW-GFCCVEGCSA-N 377.080 2.386 10 40 GECB O=C(OCC(=O)N1CCCC1=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 12682628 CPHXJRIPKOCAPQ-UHFFFAOYSA-N 379.368 2.058 10 40 GECB COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cccc2nsnc12 19079142 KXDKDFZYAPLIND-UHFFFAOYSA-N 378.435 2.459 10 40 GECB O=C1c2cccc(N3CCOCC3)c2C(=O)c2cccc(N3CCOCC3)c21 5335833 AJHIVAGFIDZCHL-UHFFFAOYSA-N 378.428 2.135 10 40 GECB O=C1N=C(S)N(c2cccc(Cl)c2)C(=O)/C1=C\NCCN1CCCCC1 102536750 PKCWPOODPFTVHC-QINSGFPZSA-N 392.912 2.458 10 40 GECB COc1cccc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)c1OC 12768239 YEXDFUOEAMFFPW-QINSGFPZSA-N 394.518 2.237 10 40 GECB CSC1=NSC2=NC(=O)/C(=C/c3coc4ccc(O)cc4c3=O)C(=N)N12 5420286 VNZMZLDNBWPPON-IHXPMUQKSA-N 386.414 2.438 10 40 GECB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)N=C(O)N(C)C2=O)c1C 9090025 OPJOYIXFIBQOGD-XNTDXEJSSA-N 381.388 2.177 10 40 GECB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCC(=O)NC1CC1 98086294 QYZGBCZNJPWDBP-RIYZIHGNSA-N 378.475 2.184 10 40 GECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC)c3)C2=O)cc1 1174679 GXRZWAQLCLALQV-WJDWOHSUSA-N 380.356 2.148 10 40 GECB Cc1c(CC(=O)Nc2ccc3c(c2)OCCO3)c(=O)oc2c(O)c(O)ccc12 12899573 DUEWOMSRYRYGAZ-UHFFFAOYSA-N 383.356 2.465 10 40 GECB biogenic COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(C=C2C(=O)NC(=O)NC2=O)o1 408974439 ZXOJXYZIPOIGES-UHFFFAOYSA-N 391.723 2.266 10 40 GECB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 2399078 RAAOHVCJUOJABF-OQLLNIDSSA-N 391.474 2.408 10 40 GECB CCN1C(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C(=O)N(CC)C1=S 409126324 NOWHAMXCTOSITQ-UHFFFAOYSA-N 391.468 2.041 10 40 GECB COc1ccc(N2CCN(c3nc(=O)c(Cc4ccccc4)n[nH]3)CC2)cc1 9304614 PVSBYMWIRIYFAH-UHFFFAOYSA-N 377.448 2.091 10 40 GECB O=C1N[C@@H](c2ccccc2O)[C@@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 4269819 OTFWNMJGGXWYHG-GRDNDAEWSA-N 380.322 2.496 10 40 GECB NC(=O)C1CCN(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)CC1 97287115 FPODBVYMIGRJGH-UHFFFAOYSA-N 385.386 2.062 10 40 GECB O=C1c2ccccc2C(=O)c2c(O)c(NCCCN3CCOCC3)cc(O)c21 31960099 RKTZEDQWXDOHSW-UHFFFAOYSA-N 382.416 2.007 10 40 GECB in-vivo C[C@@H]1CN(c2ccc(CNC(=O)N[C@H](C(N)=O)C(C)(C)C)cc2F)C[C@@H](C)O1 95446592 ATRYRROOQBRJGP-PBFPGSCMSA-N 394.491 2.139 10 40 GECB Cc1nc2ccc(N/C=C3\C(=O)NC(=O)N(CCc4ccccc4)C3=O)cc2[nH]1 408528200 FOAWXVUXIQFFCP-FOWTUZBSSA-N 389.415 2.488 10 40 GECB COc1ccc(N/C=C2\C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 13681496 QRXFMRJHUBGTES-YFBAIUBQSA-N 383.857 2.050 10 40 GECB CC(=O)Oc1ccccc1/C=C1\SC(=S)N([C@H]2CCS(=O)(=O)C2)C1=O 16791005 YTOFLWGTXNGNFJ-QENILXLESA-N 397.499 2.000 10 40 GECB C[C@@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 4957098 HHZABILEXZVMKC-CHWSQXEVSA-N 385.441 2.260 10 40 GECB CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)n2nnnc2N1 8997423 VAHSJRMAGGFRQT-IBGZPJMESA-N 389.463 2.344 10 40 GECB COC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1 408802909 JBPSIILLVJKIDC-RVDMUPIBSA-N 380.356 2.148 10 40 GECB CC(=O)[C@]1(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O 43443242 WZGSRWZGMUIMAK-RWNPKEDZSA-N 388.405 2.241 10 40 GECB CN1C(=O)/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N(c2ccccc2)C1=O 408856200 PQOXVHGNNVZTCU-DTQAZKPQSA-N 381.388 2.125 10 40 GECB O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 13546736 XXABFUSNBHEXIS-YFHOEESVSA-N 387.348 2.271 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(S(=O)(=O)NC2CC2)cc1 18150777 BKEXXUOGEHNCCI-UHFFFAOYSA-N 387.505 2.466 10 40 GECB CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2Cc1cc2c(cc1O)OCO2 26639560 DYDQBPOYLFRACX-UHFFFAOYSA-N 390.461 2.324 10 40 GECB COC(=O)c1ccccc1/N=N\N(C)C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC 104217251 FDTNEIWEYAWGOA-MUSLEANNSA-N 379.413 2.295 10 40 GECB COc1ccc2c(c1)C[C@]1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9245097 DDAKOTHPMXHPST-NRFANRHFSA-N 379.416 2.265 10 40 GECB CN1CCN(C(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)CC1 20226858 WDDMXSKAXQMVGT-FJGPGAONSA-N 387.530 2.218 10 40 GECB Cn1c(-c2ccccc2)cnc1SCC(=O)NCC(C)(C)N1CCOCC1 22133307 UFKXCMDEXVQKER-UHFFFAOYSA-N 388.537 2.406 10 40 GECB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 8973789 XNCQZNOYHPMDIC-RIYZIHGNSA-N 377.447 2.065 10 40 GECB O=C(C[C@H]1SC(=S)NC1=O)Nc1ccc(I)cc1 34926852 KFCPXRMMBMSBSN-MRVPVSSYSA-N 392.243 2.136 10 40 GECB CCNC(=O)c1nsc(C(=O)NCc2ccc(N3CCCCC3)cc2)c1N 49006219 UVJWZTQSYOGUMH-UHFFFAOYSA-N 387.509 2.395 10 40 GECB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2ccc([N+](=O)[O-])cc2)c(O)c2ccccc21 100260955 RYKSBKGVFXPLIB-UVTDQMKNSA-N 390.355 2.070 10 40 GECB COc1ccc(N2CCN(C(=O)CCCc3nnc4ccccn34)CC2)cc1 72400531 PCSVXRBXRJUWOB-UHFFFAOYSA-N 379.464 2.409 10 40 GECB CCOC(=O)C1CCN(c2ncc(C=C3C(=O)OC(C)(C)OC3=O)s2)CC1 8762115 YPRIYQPMXQYTRL-UHFFFAOYSA-N 394.449 2.142 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4nc(O)[nH]c4c3)C2=O)c(C)c1 408527089 DYOVKURDXWSVSC-UKTHLTGXSA-N 391.387 2.464 10 40 GECB CCOc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1ccccc1 408888233 UETOOYVRKXTRDO-UHFFFAOYSA-N 396.424 2.219 10 40 GECB C[C@@H](CC(=O)Nc1ccc(NC(=O)C[C@@H](C)/N=N/C(N)=O)cc1)/N=N\C(N)=O 104292287 CGQMNQSWTBDETI-WUQGEXCESA-N 390.404 2.183 10 40 GECB CC(=O)NC1=NC(=O)/C(=C/c2cc(Br)ccc2OC(C)=O)S1 15229377 VUFSRYLHAJLUJB-SDQBBNPISA-N 383.223 2.481 10 40 GECB C[C@@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 19717814 IFLJGMWKWWZEHH-MRXNPFEDSA-N 392.463 2.054 10 40 GECB COc1ccc(N2CCN(CCNC(=O)COc3ccc(F)cc3)CC2)cc1 56997221 GJHBHAOZXJHSFM-UHFFFAOYSA-N 387.455 2.152 10 40 GECB CCOC(=O)c1c(NC(=O)C[C@H]2SC(N)=NC2=O)sc2c1CC[C@H](C)C2 11859531 PEBUPNOMTVMQHK-GZMMTYOYSA-N 395.506 2.335 10 40 GECB O=C1CN(c2ccc(CNc3ccc(S(=O)(=O)C(F)F)cc3)cc2)CCN1 52049665 UGIKPAGLAOOWOF-UHFFFAOYSA-N 395.431 2.231 10 40 GECB CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)[C@H]1C(=O)OC 102100711 JMBNMZNXXIBRQB-JKXTWKSPSA-N 396.395 2.002 10 40 GECB NC(=O)COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 107920264 JCEJNDZSNMJQNL-PDGQHHTCSA-N 387.395 2.165 10 40 GECB CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3)C1=O)OCO2 409114059 IJRIRCYPPVDVQC-ZSOIEALJSA-N 380.356 2.480 10 40 GECB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 408961780 DZPQRQJMLSCVRY-MDWZMJQESA-N 383.385 2.440 10 40 GECB COc1ccccc1/C=C1\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O 13759203 ALVTZVWDEIIUBH-UVIKPUKZSA-N 381.431 2.214 10 40 GECB COc1ccc(/C=C2\SC(Nc3ccc(S(N)(=O)=O)cc3)=NC2=O)cc1 12564368 MADYFWLZXYMNQZ-GDNBJRDFSA-N 389.458 2.425 10 40 GECB Cn1cccc1/C=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 2417030 OQACHWZJCGNOQE-JLHYYAGUSA-N 379.488 2.120 10 40 GECB Cc1ccccc1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S 408964380 RFCWEGJJXILDCN-XYOKQWHBSA-N 383.385 2.440 10 40 GECB COc1ccccc1-c1nc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2n1 2220175 CURRVXLJLVGOHH-ATVHPVEESA-N 378.457 2.440 10 40 GECB COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)c1C 408915152 VLQPJNUFKKDFEH-NTEUORMPSA-N 384.413 2.298 10 40 GECB CCN(CC)CCNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199428471 OXYSIVALDNKVLZ-FQEVSTJZSA-N 397.519 2.483 10 40 GECB COc1ccc(N2CCN(c3cc(=O)n(-c4ccccc4C)c(=O)[nH]3)CC2)cc1 4033685 OSCALYMNZOFMIJ-UHFFFAOYSA-N 392.459 2.169 10 40 GECB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 13757940 RAAOHVCJUOJABF-DHDCSXOGSA-N 391.474 2.408 10 40 GECB O=C(CSc1nccc(=O)[nH]1)Nc1cccc2c1C(=O)c1ccccc1C2=O 18082585 JXLPZTVNPCHMQE-UHFFFAOYSA-N 391.408 2.276 10 40 GECB O=C1N=C(S)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCCn1ccnc1 102602032 RNIORFRVQLLAHE-UVTDQMKNSA-N 389.868 2.259 10 40 GECB CC(=O)Oc1ccc(N2C(=O)C/C(=C3/C(=O)N(C)c4ccccc43)C2=O)cc1 8990174 GVAPTJFSZDPJRM-MNDPQUGUSA-N 376.368 2.305 10 40 GECB COc1ccc(-n2nnnc2CNS(=O)(=O)c2ccc3ccccc3c2)cc1 9571114 GSQAYEWIBQILBB-UHFFFAOYSA-N 395.444 2.303 10 40 GECB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCc1ccc(F)cc1 1897858 BNDLHHJROKDOPC-MHWRWJLKSA-N 387.411 2.382 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OC(C)=O)C2=O)cc1 408536554 RZGRAMREQFBTJR-WJDWOHSUSA-N 380.356 2.287 10 40 GECB COc1ccc(N2CCN(C(=O)NC[C@@H]3COc4ccccc4O3)CC2)cc1 32843781 BOSKDZPJRZURNR-GOSISDBHSA-N 383.448 2.367 10 40 GECB CCOC(=O)CN1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1237739 IGAWTJFEWYNMKC-JYRVWZFOSA-N 397.474 2.477 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 5428617 FFLZEALBTJUCOK-UHFFFAOYSA-N 383.385 2.088 10 40 GECB C[C@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O 2163225 BBDJDZJPXQUAJO-JASJWYONSA-N 396.424 2.370 10 40 GECB CCN(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)[C@H]1CCS(=O)(=O)C1 7777742 QKUQYZCLWSHFAQ-SFHVURJKSA-N 399.468 2.401 10 40 GECB COc1cccc(S(=O)(=O)N2CCN(Cc3ccc(N(C)C)cc3)CC2)c1 96286904 VWOHXDYFEFYHLR-UHFFFAOYSA-N 389.521 2.268 10 40 GECB CC(C)c1ccc(N2C(=O)/C(=C/NCCCn3ccnc3)C(=O)NC2=S)cc1 20025822 XWACFPZWIGTJRC-SFQUDFHCSA-N 397.504 2.318 10 40 GECB COc1ccc(N2CCN(CCCNC(=O)[C@@H]3Cc4ccccc4O3)CC2)cc1 32764308 MBOITBGGPHMXAE-QFIPXVFZSA-N 395.503 2.327 10 40 GECB O=C1N=C(O)/C(=C/NC2CC2)C(=O)N1c1ccc(I)cc1 102500612 IHYHQLIXZOCSMB-XFFZJAGNSA-N 397.172 2.350 10 40 GECB O=C1NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1 59426500 QBMSDRPUMVCLOO-UHFFFAOYSA-N 398.287 2.045 10 40 GECB COc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589039 QNGQUWPYCBWAKN-JOCHJYFZSA-N 396.535 2.480 10 40 GECB biogenic COc1cccc(/C=C2/SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1 32708009 OCXACWMMXKXENR-OYGDSYQHSA-N 381.431 2.214 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)NCCc2ccc(Cl)cc2)cc1 9157227 FMNJTAAGVQIEIH-UHFFFAOYSA-N 389.883 2.389 10 40 GECB COc1ccc2c(c1)N(CN(C)Cc1ccc(N3CCOCC3)cc1)C(=O)C2=O 40082976 CAZWBYBOGSFKTQ-UHFFFAOYSA-N 395.459 2.151 10 40 GECB COC(=O)C1=CN(c2ccc3c(c2)OCO3)c2ccc(F)cc2S1(=O)=O 64979237 XTMKSQILHRNUGO-UHFFFAOYSA-N 377.349 2.494 10 40 GECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)C1=O 408549624 VWMIRKYISNNCJN-LICLKQGHSA-N 383.404 2.168 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc([N+](=O)[O-])c(O)cc3O)C2=O)cc1C 408853880 YZEOPQDXGGQTCU-AWNIVKPZSA-N 397.343 2.289 10 40 GECB CCOC(=O)c1cccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c1 408547080 RYJWAQLAWJMSBK-GDNBJRDFSA-N 383.360 2.031 10 40 GECB CCOC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 35351238 XGOFETYEEIXMGD-VBKFSLOCSA-N 396.399 2.099 10 40 GECB C[C@@]1(CO)CN(Cc2ccccc2)C[C@@H]2CN(Cc3ccccc3O)CCN21 253403954 QRZOFOHJTJQYQW-GMAHTHKFSA-N 381.520 2.145 10 40 GECB biogenic,in-vitro COc1ccc(N2C(=O)NC(=O)/C(=C\c3cc4c(cc3OC)OCO4)C2=O)cc1 1420974 XZHONRWAHOAFGC-VGOFMYFVSA-N 396.355 2.099 10 40 GECB CCCC(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 5708862 QPKNCDLWFACAHD-UHFFFAOYSA-N 378.450 2.268 10 40 GECB COc1ccc(/C=C2/C(=N)N3N=C(CC(=O)N4CCCC4)SC3=NC2=O)cc1 5180085 SQMRXIMRPWBGCQ-IUUVDYQKSA-N 397.460 2.327 10 40 GECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409125463 AKTBENVPJGBEQO-KBVGCWLLSA-N 394.424 2.260 10 40 GECB CCOc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(Br)cc1OC 408913492 LKCZGDJXYXOGJD-WEVVVXLNSA-N 399.266 2.113 10 40 GECB COc1ccc(N2CCN(Cn3nnc(-c4cccc(OC)c4)n3)CC2)cc1 57312547 JHWMWGORADUSNN-UHFFFAOYSA-N 380.452 2.137 10 40 GECB CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35392514 IAHPYXTTWQTPLS-NRFANRHFSA-N 394.519 2.104 10 40 GECB Cc1cc(C(=O)COC(=O)c2cc[n+]([O-])cc2)c(C)n1-c1ccc2c(c1)OCO2 2651664 CXRLVLHEXOVBEP-UHFFFAOYSA-N 394.383 2.496 10 40 GECB CC(=O)[C@@]1(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O 104123356 WZGSRWZGMUIMAK-UFVMTTLYSA-N 388.405 2.241 10 40 GECB COC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 5751403 ODAKOQGHDIFQJK-WJDWOHSUSA-N 394.383 2.213 10 40 GECB CC(C)(C)N1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S 5552091 TTZOMRSICRMYEI-SEYXRHQNSA-N 376.459 2.488 10 40 GECB CC(C)[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)O 5374852 DCDYOPASFZCABO-UNJUUPHPSA-N 378.475 2.113 10 40 GECB CCc1cc(Br)ccc1N1C(=O)NC(=O)/C(=C\NC(C)C)C1=O 408535950 UUZKEKUISUJXCZ-XYOKQWHBSA-N 380.242 2.476 10 40 GECB COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)c(OC)c1 6623878 PSLBHOCTCQJVTA-UHFFFAOYSA-N 399.399 2.389 10 40 GECB biogenic Cn1cc(/C=C2\SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21 5371519 ZUERTZLRBOZNCN-JYRVWZFOSA-N 382.488 2.267 10 40 GECB Cn1c(=O)c(C2=NNC(=O)/C2=C\c2ccccc2[N+](=O)[O-])c(O)c2ccccc21 100260854 GVGFXCWUDZMDFQ-RAXLEYEMSA-N 390.355 2.070 10 40 GECB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(C)cc3)C1=O)OCO2 408968180 ZVQMSCCXQBBWED-VGOFMYFVSA-N 380.356 2.399 10 40 GECB COc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)cc(OC)c1OC 13815984 FJHRMLGTDPOJBR-UVTDQMKNSA-N 396.490 2.161 10 40 GECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F 409395319 MFVMGWPXEMEKER-LFIBNONCSA-N 380.379 2.487 10 40 GECB O=C1NC(=O)C(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1 5741250 CKIOLMJDMPNSRL-UHFFFAOYSA-N 390.355 2.347 10 40 GECB CN(C)c1ccc(CNC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1 15135104 HTEHMIDKNFNGQF-UHFFFAOYSA-N 387.505 2.395 10 40 GECB COc1ccc2c(c1)C[C@@]1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 9245096 DDAKOTHPMXHPST-OAQYLSRUSA-N 379.416 2.265 10 40 GECB CN(C(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)c2ccnn2C)C1)c1ccccc1 257253379 JYQUOVLMHUWCOX-HNNXBMFYSA-N 392.463 2.440 10 40 GECB CCOc1cc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)ccc1O 4980719 ADITYYFLLLZPID-KSSSLANASA-N 399.515 2.179 10 40 GECB O=C(COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)NC[C@@H]1CCCO1 6227478 FDXXNMBTBUJZHX-SFHVURJKSA-N 395.411 2.204 10 40 GECB CCOC(=O)[C@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35128899 JGEZTJYEWBSNHQ-RVAQLADHSA-N 380.400 2.478 10 40 GECB CCOCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1CC(=O)OC 17079471 HQOWLUDFJQKUMQ-RGEXLXHISA-N 389.452 2.251 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(F)c3)N(C)C)ccc21 8963920 OIIHENDUCCSFEB-IBGZPJMESA-N 384.455 2.176 10 40 GECB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(OC)cc2OC)cc1 9571366 YOVQYIKDNDLWGC-UHFFFAOYSA-N 384.396 2.010 10 40 GECB COc1cc(/C=C2/C(=O)NC(=O)N([C@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(C)=O 408538043 YPSDAHPFKGGBOE-DSIIJCOYSA-N 398.415 2.271 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)cc3OC)C2=O)cc1 4752166 MZDYZVLIYFBLOE-YBEGLDIGSA-N 382.372 2.379 10 40 GECB CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)NC1=S 408919070 SIKFUQIXRZLCAP-XNTDXEJSSA-N 397.412 2.430 10 40 GECB CN1CCN([C@@H](CNC(=O)NC(C)(C)C)c2ccc3c(c2)CCCN3C)CC1 35597183 NUSCWUYNTNXVNE-FQEVSTJZSA-N 387.572 2.455 10 40 GECB CC(C)CNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008076 DTIADHJRBSJXEH-FQEVSTJZSA-N 386.540 2.094 10 40 GECB COc1cccc(CN2CCC[C@@H](c3nnsc3S(C)(=O)=O)C2)c1O 19567191 XEDKHXVZFFJPMY-LLVKDONJSA-N 383.495 2.035 10 40 GECB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1[N+](=O)[O-] 9368951 WKSPPBYQRNPUIV-UHFFFAOYSA-N 379.438 2.490 10 40 GECB COc1cccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1OC 2373937 LZEPYXDDHUOUAX-KAQJVSAMSA-N 399.515 2.092 10 40 GECB Cc1cc(C(=O)CN2CCN(CC(=O)NC3CC3)CC2)c(C)n1-c1ccccc1 22800147 HQKFTRXCLKUSBU-UHFFFAOYSA-N 394.519 2.173 10 40 GECB O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)N[C@@H]1c2ccccc2C[C@@H]1O 57005329 ICRRLYIULGRMFF-LEWJYISDSA-N 399.466 2.244 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ccccc2)N2CCCC2)cc1 5340595 QIKQQOUXDRLBRA-OAQYLSRUSA-N 394.519 2.322 10 40 GECB COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCSCC3)cc2)cc1 54035506 IQFKEFKFTADRDM-UHFFFAOYSA-N 399.516 2.295 10 40 GECB COC(=O)c1cc2ccccc2c(CN2CCN(c3ncccn3)CC2)c1O 25059938 NBCRBGRQNWKHHU-UHFFFAOYSA-N 378.432 2.444 10 40 GECB COc1ccc(N2CCc3nn(CC(=O)NC4CCCCC4)c(=O)cc3C2)cc1 105776610 LCLVYDKQBGDJGN-UHFFFAOYSA-N 396.491 2.264 10 40 GECB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\NCc1ccc2c(c1)OCO2 5768455 MFOJIYVGZRGFJZ-XFXZXTDPSA-N 399.790 2.325 10 40 GECB COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3cccnc3)S2)cc1 5764263 NDYSDUIXNJFSRL-NTEUORMPSA-N 375.431 2.039 10 40 GECB CC[C@@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374917 URUZCCYSVPXWGN-FMNNIJNLSA-N 378.475 2.176 10 40 GECB CCC[C@@H](C(=O)O)N1C(=O)/C(=C2\C(=O)N(C)c3ccccc32)SC1=S 1793727 PFVQMUISTIVVHL-UMAGAQSHSA-N 376.459 2.488 10 40 GECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1 16769961 ACBFNQSHSXDUKL-QINSGFPZSA-N 392.502 2.145 10 40 GECB CSc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1 4971133 SCKNJNSSQMPXDH-DDADGOEASA-N 380.476 2.030 10 40 GECB COc1ccc(N2CCN(CN3C(=O)NC4(CCCCCC4)C3=O)CC2)cc1 23642416 IRLLILREUNFGER-UHFFFAOYSA-N 386.496 2.420 10 40 GECB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)N[C@@H]1CCCCNC1=O 52642023 RUKPUFRDUUCJLL-CQSZACIVSA-N 385.386 2.123 10 40 GECB COc1ccc(N2CCN(CCCNC(=O)c3cc(OC)ccc3O)CC2)cc1 32903936 RGKJWHFXZZMHPD-UHFFFAOYSA-N 399.491 2.352 10 40 GECB O=C(O)CN1C(=O)N/C(=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)C1=O 9259799 ZCWHJBLUXPBDRZ-WUXMJOGZSA-N 390.735 2.276 10 40 GECB CCOC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 5472909 ICPQYYKRCGLZAA-WJDWOHSUSA-N 396.399 2.099 10 40 GECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 4808055 ZOAKYVKUDQKDDD-YBEGLDIGSA-N 380.356 2.055 10 40 GECB CC(C)(C)C1(C)OC(=O)C(=Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2)C(=O)O1 16605321 KUCLECWORKIYKQ-UHFFFAOYSA-N 380.309 2.454 10 40 GECB CNC(=O)N[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cc2c(cc1O)OCO2 6378853 ZVVSTMYYSLPECQ-KRWDZBQOSA-N 390.392 2.165 10 40 GECB CC1=NN(C(N)=S)C(=O)[C@H]1/N=N/c1ccc(S(=O)(=O)O)c2ccccc12 100524821 OIASRVNBXNMINB-BZSIDJSBSA-N 391.434 2.001 10 40 GECB COc1ccc(N/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)c(OC)c1 2396720 GYSMIGUODAWRCD-PTNGSMBKSA-N 397.456 2.443 10 40 GECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 1809734 RXPJPTOSZWIRTP-HLPMDPMVSA-N 382.419 2.366 10 40 GECB CC(C)N(Cc1ccco1)N/C=C1/C(=O)N=C(O)N(Cc2ccccc2)C1=O 2421154 HCCZXQGRXXGFJQ-BOPFTXTBSA-N 382.420 2.362 10 40 GECB COc1ccc(N2CCOCC2)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 20528513 HESOWXMYZSLTNC-UHFFFAOYSA-N 387.392 2.458 10 40 GECB COc1cc([C@@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc(O)c1O 95473365 FRMMTJMNTQGLMD-NSHDSACASA-N 375.381 2.071 10 40 GECB COc1ccc2c(c1)c(/C=C1\C(=O)Nc3ccc(S(N)(=O)=O)cc31)cn2C 13538929 GNCKEUJKZQDWAH-APSNUPSMSA-N 383.429 2.327 10 40 GECB CCOc1cc2c(cc1C=C1C(=O)N(CC)C(=S)N(CC)C1=O)OCO2 409095728 ILQYOWIPCJBANY-UHFFFAOYSA-N 376.434 2.193 10 40 GECB CN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)NC1=S 408910421 KFJWQIGKTOIFQK-MHWRWJLKSA-N 397.412 2.430 10 40 GECB COc1ccccc1/C=C1\SC(=S)N(CCC(=O)N2CCOCC2)C1=O 13576672 GBNWLXMUPACOCC-QINSGFPZSA-N 392.502 2.145 10 40 GECB Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6361294 USJURONIWHYKAY-ZBEGNZNMSA-N 390.461 2.123 10 40 GECB CN(CCO)c1ccc(CN2CCc3nc(-c4cccnc4)nc(O)c3C2)cc1 72339858 BBCVSVDHSHGHPD-UHFFFAOYSA-N 391.475 2.231 10 40 GECB COCCOC(=O)[C@H](C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 4482899 MABXWYQRGHBTOA-YWEFTTLKSA-N 396.446 2.374 10 40 GECB Cc1nc(S/C(=C/c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 409191187 DCDXADNKHRWGET-NTEUORMPSA-N 391.409 2.076 10 40 GECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NC3CCCC3)N3CCCC3)ccc21 9135486 IRYOSVIGUBXFMN-OAQYLSRUSA-N 398.551 2.381 10 40 GECB CCOC(=O)CN1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 1809989 PLUHDPCCUQBPFA-GHXNOFRVSA-N 382.419 2.368 10 40 GECB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCN1CCOCC1 100423228 VHVDQFMXZDCEAR-SILNSSARSA-N 386.496 2.394 10 40 GECB COc1ccccc1/C=C1/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C1=O 2406217 ALVTZVWDEIIUBH-MJWAUXSNSA-N 381.431 2.214 10 40 GECB COc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 13645165 BPWLGVCUWUIFQC-DKTFCQPKSA-N 399.515 2.092 10 40 GECB CCN1C(=O)C(=Cc2cc(OC)c(OC)cc2OC)C(=O)N(CC)C1=S 6891426 YEFUFFOCGHVRTF-UHFFFAOYSA-N 378.450 2.091 10 40 GECB CN(C)c1ccc(/C=C2/SC(=O)N(CCc3nnc(N)s3)C2=O)cc1 1469732 WQLVRNOGRGIKAA-FMIVXFBMSA-N 375.479 2.465 10 40 GECB COc1ccc(N2CCN(CC3=NS(=O)(=O)c4ccccc4N3)CC2)cc1 69927611 VLHPYZLZPNVVEH-UHFFFAOYSA-N 386.477 2.030 10 40 GECB COC(=O)c1ccccc1-n1c(C)cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1C 4090662 LLEOVZFATIMZBL-UHFFFAOYSA-N 395.415 2.315 10 40 GECB COc1cccc(CN2CCC(c3nnsc3S(C)(=O)=O)CC2)c1O 12121315 KWALJZZZYVJHCE-UHFFFAOYSA-N 383.495 2.035 10 40 GECB COC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 108139465 FKKLPVAQWZKXTL-ZROIWOOFSA-N 386.791 2.353 10 40 GECB CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2273943 WBXSTGGRHHTIBU-QINSGFPZSA-N 378.519 2.427 10 40 GECB O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1ccc3c(c1)OCO3)CN=2 13751220 KXHIQXFVFIBCAK-IDUWFGFVSA-N 399.859 2.176 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 22664750 OHROYBITFKHWIW-HXUWFJFHSA-N 398.463 2.464 10 40 GECB COc1ccc(N2CCN(C(=O)c3nn(C)c(C)c3Br)CC2)cc1 32647580 PFSBIWVKOMOWNZ-UHFFFAOYSA-N 393.285 2.462 10 40 GECB CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/NCCCn3ccnc3)C2=O)cc1 6186916 WPSFHHJLGBVTNM-ATVHPVEESA-N 381.436 2.153 10 40 GECB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc2c(cc1Br)OCO2 408894323 PUBCMLRERQIGCU-WMZJFQQLSA-N 380.194 2.480 10 40 GECB COc1ccc(N2CCN(C(=O)c3cccc(NS(C)(=O)=O)c3)CC2)cc1 10112707 YWYSJZKOCXATEY-UHFFFAOYSA-N 389.477 2.029 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC 408801790 BRSKJOIXCQYKTM-RIYZIHGNSA-N 397.343 2.278 10 40 GECB COc1cc([C@H]2CC(O)=Nc3c2c(=O)[nH]n3C2CCOCC2)cc(O)c1O 95473366 FRMMTJMNTQGLMD-LLVKDONJSA-N 375.381 2.071 10 40 GECB O=C(CCc1nc(-c2ncccn2)no1)NCc1ccc(N2CCCC2)cc1 68103285 SQMANIDRHAAHGC-UHFFFAOYSA-N 378.436 2.376 10 40 GECB COC(=O)[C@@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 33797482 BKVPINGHRKJDHL-MLDYKZIASA-N 396.399 2.097 10 40 GECB COc1cc([N+](=O)[O-])cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1O 13546365 KLUJIZHTMCTPGF-RIYZIHGNSA-N 397.343 2.284 10 40 GECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1 4834412 PUBQRFATGGQQGW-QGOAFFKASA-N 392.415 2.262 10 40 GECB Cc1nn(C)c2[nH]c(=O)c(CCC(=O)NCc3ccc(N(C)C)cc3)c(C)c12 40086973 UVGYZRMCFJEYNI-UHFFFAOYSA-N 381.480 2.193 10 40 GECB COc1ccc2c(c1)CCCN2CCC(=O)Nc1ccc(S(N)(=O)=O)cc1 28904612 DMDRHZPUAZBKTK-UHFFFAOYSA-N 389.477 2.124 10 40 GECB O=C(O)CCN1C(=O)/C(=C/c2ccc(-n3cncn3)c(F)c2)SC1=S 96947682 HDLJNZMVZMITBF-SDQBBNPISA-N 378.410 2.082 10 40 GECB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC(N)=O)cc1 409000144 XGCXTPTVWKVJQE-PDGQHHTCSA-N 392.411 2.428 10 40 GECB O=C(NC[C@@H]1CCCO1)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199406831 HBDJKZJIWVUJCN-RBUKOAKNSA-N 382.460 2.320 10 40 GECB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@@H](C)O1 13388754 HHZABILEXZVMKC-BETUJISGSA-N 385.441 2.260 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc([N+](=O)[O-])cc3O)C2=O)c(C)c1 18046427 INAQDBZXANLILQ-UKTHLTGXSA-N 396.359 2.496 10 40 GECB CCOC(=O)c1cnn2c(O)cc(CN(C)[C@H](C)Cc3ccc(O)cc3)nc12 79099692 QJVVJUWIAPIWTO-CYBMUJFWSA-N 384.436 2.380 10 40 GECB COc1ccc(CCN2C(=O)N=C(O)/C(=C\NCc3ccco3)C2=O)cc1OC 102560871 ZRKNVNKMGUQECR-NTCAYCPXSA-N 399.403 2.432 10 40 GECB O=C1NC(=O)C(=Cc2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1 59514590 TYNZDOKLBOAGEZ-UHFFFAOYSA-N 398.287 2.045 10 40 GECB O=C1NC(=S)N=C(O)/C1=C\c1ccc(-c2cc(C(=O)O)cc(C(=O)O)c2)o1 59109319 RQKPIHNOTFODNM-UHFFFAOYSA-N 386.341 2.098 10 40 GECB COc1ccc(N2CCN(C(=O)[C@@H]3CN(C(C)=O)c4ccccc4O3)CC2)cc1 7990705 XUUNZRDMIQJVRT-NRFANRHFSA-N 395.459 2.158 10 40 GECB CN1C(=O)/C(=C\c2ccc(C(=O)N3CSC[C@@H]3C(=O)O)cc2)SC1=S 5374750 JGQIBIWIZSGQJL-GGQLTLKSSA-N 394.499 2.117 10 40 GECB COc1cc(/C=C2\CC(=O)N(c3ccc(NC(C)=O)cc3)C2=O)cc(O)c1O 62001830 UXRZEXOGQZMDNE-NTUHNPAUSA-N 382.372 2.412 10 40 GECB biogenic Cc1cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(N(C)C)cc1 408596290 RYDZKCZYVSEEMZ-LICLKQGHSA-N 382.420 2.137 10 40 GECB Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/NCCN3CCCCC3)C2=O)c(C)c1 19996881 ZFOPPYYVABYGRD-LGMDPLHJSA-N 384.480 2.154 10 40 GECB CN(C)c1ccc(CNC(=O)c2sccc2S(=O)(=O)NC2CC2)cc1 28963597 WDPPDDTXFWBAFU-UHFFFAOYSA-N 379.507 2.185 10 40 GECB COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 409002653 VYDDFYNZHLKHMX-ZSOIEALJSA-N 398.375 2.103 10 40 GECB COc1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 5120695 YNKVJVOWYROWRE-UHFFFAOYSA-N 391.449 2.423 10 40 GECB CCC(=O)Nc1nnc(S(=O)(=O)NCc2ccc(N(CC)CC)cc2)s1 225881145 LDSZSFSKFDHWRJ-UHFFFAOYSA-N 397.526 2.211 10 40 GECB CCN(CC)c1ccc(CN2CCc3c(nc(N4CCOCC4)[nH]c3=O)C2)cc1 12145288 SVXVSXUTBHAKME-UHFFFAOYSA-N 397.523 2.011 10 40 GECB COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 9138228 TZBGSCSRUONRHV-LFIBNONCSA-N 380.356 2.148 10 40 GECB COC(=O)c1ccc(CN2C(=O)N/C(=C\c3ccc(N(C)C)cc3OC)C2=O)o1 33562975 BMTXTRAAFCBJDQ-DHDCSXOGSA-N 399.403 2.234 10 40 GECB Cn1cnnc1Sc1ccc(C=C2C(=O)OC(C)(C)OC2=O)cc1[N+](=O)[O-] 59488528 GRBAURUPJQPAAR-UHFFFAOYSA-N 390.377 2.094 10 40 GECB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCC1 9135702 XYMFWQHMYPHWJJ-HXUWFJFHSA-N 386.540 2.094 10 40 GECB Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)NC(=O)NC3=O)cc2)cc1C 409252815 DZFDPHASHALDHN-UHFFFAOYSA-N 393.399 2.070 10 40 GECB O=C1NN(c2cccc(Br)c2)C(=O)/C1=C1\C(=O)Nc2ccccc21 1084640 OHJHTYUYGIQFIJ-YPKPFQOOSA-N 384.189 2.233 10 40 GECB CCN1C(=O)C(=CNCCSCc2cccs2)C(=O)N(CC)C1=S 25561733 FVDROLRPFDMOAD-UHFFFAOYSA-N 383.564 2.450 10 40 GECB Cn1cc([C@@H]2CC(c3ccccc3O)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 95101221 HZPAWQRWNNSSSE-SFHVURJKSA-N 397.460 2.129 10 40 GECB CCN(CC)CCN/C=C1/C(=O)N=C(S)N(c2ccccc2Cl)C1=O 102519928 ZKJODVAGYIELQQ-QXMHVHEDSA-N 380.901 2.314 10 40 GECB CN1C(=O)C(=Cc2cccn2-c2nnc(-c3ccccc3)s2)C(=O)N(C)C1=O 4971200 UPQNPWFXCPIWCH-UHFFFAOYSA-N 393.428 2.430 10 40 GECB COc1cccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)NC(=O)NC2=O)c1 11612308 DSVNBGXMRCQUTO-UHFFFAOYSA-N 388.383 2.297 10 40 GECB O=C(COc1ccccc1C=C1C(=O)NC(=O)NC1=O)Nc1ccc(Cl)cc1 409224237 KJTRVZCJMLOXAU-UHFFFAOYSA-N 399.790 2.107 10 40 GECB O=C(NC(=S)NC1=C[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C=C1)c1cccnc1 100871612 TWGYLTNQGGNAKE-SJORKVTESA-N 389.436 2.451 10 40 GECB COc1ccc(N2CCN(C(=O)NC[C@H]3COc4ccccc4O3)CC2)cc1 32843782 BOSKDZPJRZURNR-SFHVURJKSA-N 383.448 2.367 10 40 GECB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 18116646 MBBYLDIFFVFXDM-FQEVSTJZSA-N 395.459 2.158 10 40 GECB O=C(COc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1 409046083 IPENRHTVLLMKFG-UHFFFAOYSA-N 399.790 2.107 10 40 GECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1O[C@H](C)C(=O)O 34883070 ZRQNXUCDSGFENT-DYTQJMLRSA-N 382.372 2.009 10 40 GECB COCCCN1C(=O)/C(=C\c2cc(OC)ccc2OC)C(C(=O)OC)=C1C 33703276 UNZCAHBTIYWTPS-VBKFSLOCSA-N 375.421 2.413 10 40 GECB COc1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C(=O)NC2=S)c1 4815293 WWMYVOKFZNTQFE-WQLSENKSSA-N 389.414 2.496 10 40 GECB CCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c2ccccc21 1281989 CHBPSJFLJDCGDA-MMZVIXLHSA-N 376.459 2.488 10 40 GECB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCc1ccco1 109995961 HNGJOJJKZIUMFD-FLIBITNWSA-N 379.800 2.494 10 40 GECB COc1ccc(CN2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)c(O)c1 72347477 NSELWRAKBWRQKV-CQSZACIVSA-N 384.480 2.279 10 40 GECB O=C(C[C@H]1SC(=O)NC1=O)Oc1ccc(/C=C2\SC(=O)NC2=S)cc1 5766561 USPCHTAOOKSIOL-JRZFIGEHSA-N 394.455 2.458 10 40 GECB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc[nH]c1=O 54017793 DVQDTZDXCTVSPE-UHFFFAOYSA-N 381.354 2.160 10 40 GECB C[C@H](NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 4330464 JMJWPDGFZQQNNH-OXJNMPFZSA-N 382.508 2.349 10 40 GECB NCCC(=O)O[C@@H]1CCCc2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O 6583057 MOUNDAWETWVILR-CYBMUJFWSA-N 381.384 2.143 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N[C@H](C)C(=O)O)C2=O)cc1 5374948 OCMIEARXWKSHRM-VSXLWIIGSA-N 378.475 2.176 10 40 GECB O=C(NC(=S)NC1=C[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2C=C1)c1cccnc1 100871613 TWGYLTNQGGNAKE-IRXDYDNUSA-N 389.436 2.451 10 40 GECB Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc2c(c1)OCCO2 2635958 AZZJNYIGGNZLCU-UHFFFAOYSA-N 385.449 2.364 10 40 GECB CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350338 CZULILIMOAWWJC-FQEVSTJZSA-N 380.492 2.109 10 40 GECB CNC(=O)N[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc2c(cc1O)OCO2 1587927 ZVVSTMYYSLPECQ-QGZVFWFLSA-N 390.392 2.165 10 40 GECB CCOC(=O)c1c(NC=C2C(=O)NC(=S)NC2=O)sc2c1CCCCC2 18284588 HFBKEUYKOOSRGY-UHFFFAOYSA-N 393.490 2.020 10 40 GECB C/C=C/C(=O)OCC(=O)c1cc(C)n(-c2ccc(S(N)(=O)=O)cc2)c1C 6461224 GWKYZSUDGQOWJH-SNAWJCMRSA-N 376.434 2.044 10 40 GECB CC(=O)Nc1ccc(N/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1 4812288 ZPEQLQFAMWZOJF-LFIBNONCSA-N 380.429 2.389 10 40 GECB Cc1cccc(NC(=O)COc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)c1C 409251424 POZHWWZQIWALGZ-UHFFFAOYSA-N 393.399 2.070 10 40 GECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\NN1CCCC[C@H]1c1cccnc1 12659379 NDDMIHNQRKCUAR-DNKLCNGGSA-N 391.431 2.280 10 40 GECB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4[nH]c(=O)[nH]c4c3)C2=O)cc1C 18157986 ISSFVIIGCVFUDS-NTEUORMPSA-N 391.387 2.052 10 40 GECB COc1cc(Br)cc(CN2CCN(c3ncccn3)CC2)c1O 23281365 BOYYZPFWQQQUAH-UHFFFAOYSA-N 379.258 2.276 10 40 GECB CCCCCCN1C(=O)/C(=C/NNC(=S)Nc2ccccc2)C(=O)N=C1O 9016123 FKQRKIDVPRNOKV-WYMLVPIESA-N 389.481 2.225 10 40 GECB S=C(NNc1nc(N2CCCC2)nc(N2CCCC2)n1)Nc1ccccc1 110392151 TXFOWIPQVJNYQO-UHFFFAOYSA-N 384.513 2.386 10 40 GECB C/C(NN1CCN(C)CC1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 9135134 KDXOHUSFTQEQDQ-JZJYNLBNSA-N 375.476 2.464 10 40 GECB Nc1nc(N)c(/N=N\c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n1 104065688 PMILDJZWASFJHV-VXPUYCOJSA-N 392.426 2.019 10 40 GECB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCC(=O)O)c(Br)c2)S1 409090793 OPIRTDKBOMZESK-VZUCSPMQSA-N 399.222 2.019 10 40 GECB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(O)[nH]c(=O)n(-c2ccccc2)c1=O 13590369 XZYWVPWAONTTMO-VBKFSLOCSA-N 388.383 2.038 10 40 GECB CCC[C@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)O 5374832 PFXIIGIUEHKVLN-VWLVURMCSA-N 378.475 2.257 10 40 GECB CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] 108027452 NZVMXKWPFCMBSW-ZROIWOOFSA-N 383.360 2.464 10 40 GECB CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O 4704546 JQKOPTXJJMPRIZ-QPEQYQDCSA-N 396.355 2.186 10 40 GECB C[C@H](Oc1cc(N(C)C)ccc1/C=C1/C(=O)NN(c2ccccc2)C1=O)C(=O)O 107982043 QCOSMCSAHUMYAB-MFVBVHDHSA-N 395.415 2.066 10 40 GECB Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 408994821 JOXOMTMEDNVQOW-DHDCSXOGSA-N 382.376 2.402 10 40 GECB CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)n2nnnc2N1 8997424 VAHSJRMAGGFRQT-LJQANCHMSA-N 389.463 2.344 10 40 GECB CN1N=C(c2ccccc2O)/C(=C/c2c(-c3ccccc3O)nn(C)c2O)C1=O 16952600 LZMOSQVQXPUMNT-PTNGSMBKSA-N 390.399 2.464 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3n[nH]c4ccccc34)CC2)cc1 4824308 MKDSIVKDDLKYRH-UHFFFAOYSA-N 394.431 2.077 10 40 GECB COc1ccc(N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])c1 6027254 CYOPDKGGUGWZRY-UHFFFAOYSA-N 386.364 2.474 10 40 GECB CC[C@]1(O)C[C@@H](O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)[C@@H]1C(=O)OC 6667728 JMBNMZNXXIBRQB-SRVWHDFXSA-N 396.395 2.002 10 40 GECB O=C1NC(=S)N(CCc2ccccc2)C(=O)/C1=C/Nc1cccc2nonc12 9303823 DPWJFXVFBKSYLY-ACCUITESSA-N 393.428 2.005 10 40 GECB COc1cc(CC(=O)NCc2cc([N+](=O)[O-])ccc2O)cc(OC)c1OC 35325366 LFQKJGCNTJYMLF-UHFFFAOYSA-N 376.365 2.185 10 40 GECB CNC(=O)NC(=O)COC(=O)c1cc(C)n(-c2cc(Cl)ccc2OC)c1C 4297539 WXNGHRRSYMEMEK-UHFFFAOYSA-N 393.827 2.369 10 40 GECB CN(C)c1ccc(CNCc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 17317368 CMOGHWDZLNJSRA-UHFFFAOYSA-N 389.521 2.063 10 40 GECB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=S)N([C@@H](C)CC)C2=O)cc1 6243264 SGHRDXXOMDUAQY-IWQAVIMZSA-N 375.450 2.201 10 40 GECB COc1cc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)cc(OC)c1OC 15357256 WCAHFSNHSNCRPZ-OTIXFSKASA-N 383.447 2.387 10 40 GECB O=S1(=O)CC[C@@H](N(Cc2ccccc2)Cc2cc3c(cc2O)OCO3)C1 24227913 QPJGEXVXSYFLGF-MRXNPFEDSA-N 375.446 2.310 10 40 GECB COC(=O)c1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1 408528061 FAUQFRHAOQWBJE-SDNWHVSQSA-N 395.371 2.061 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc(O)c(C(=O)O)c3)C2=O)c(C)c1 408539369 WAUXINSFIWYJAM-NTEUORMPSA-N 395.371 2.286 10 40 GECB COc1ccc(NC2=NN=C(c3ccc(O)c(C(N)=O)c3)CS2)cc1OC 15406620 ZNKPHAIEGWVEQQ-UHFFFAOYSA-N 386.433 2.427 10 40 GECB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCc1nc2ccccc2[nH]1 19691338 IVPZCVUKQQMNSN-LCYFTJDESA-N 395.806 2.473 10 40 GECB CCOC(=O)N1CCN(/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1 618255197 RDSCUHOQYNLHHK-QBFSEMIESA-N 381.479 2.255 10 40 GECB O=C1NC(=O)C(=CNc2cc(C(F)(F)F)ccc2N2CCCCC2)C(=O)N1 7737305 PXAWXBXJWBXHKG-UHFFFAOYSA-N 382.342 2.358 10 40 GECB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)C(=O)NC1=S 409392060 NQFVNMMGUIDPOP-OVCLIPMQSA-N 397.456 2.469 10 40 GECB Nc1nc(O)nc(O)c1/N=N\c1ccc(S(=O)(=O)Nc2nccs2)cc1 104090650 QZSFRVURQJOQBW-HNENSFHCSA-N 393.410 2.143 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3ccccc3OC)CC2)cc1 3555411 QBHPWROFOUIEHS-UHFFFAOYSA-N 384.432 2.209 10 40 GECB O=C(NC1(N2CCOCC2)C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 226297681 UTLOSANYFSRWLM-UHFFFAOYSA-N 384.819 2.178 10 40 GECB COc1ccc(NC(C)=O)cc1S(=O)(=O)NCc1ccc(N(C)C)cc1 26357994 OUCYNZUGXRPIMI-UHFFFAOYSA-N 377.466 2.198 10 40 GECB CCCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)SC1=S 30819350 KHJKPVXTKZPIHE-HAQQTBRTSA-N 375.519 2.379 10 40 GECB O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 658381 HHLLOWQVGBNJEL-NTEUORMPSA-N 384.388 2.428 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCCC2)N2CCCC2)cc1 10188277 IRXJUAUQQCKKNM-FQEVSTJZSA-N 386.540 2.455 10 40 GECB Cc1ccc(CCC(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)cc1 40151756 CGERRSVYHDIHMJ-UHFFFAOYSA-N 386.517 2.479 10 40 GECB COC(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1Cl 408997519 GYDSWJZFORVQRH-UHFFFAOYSA-N 390.804 2.301 10 40 GECB COc1ccccc1/C=C1\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C1=O 13759204 ALVTZVWDEIIUBH-BKLZJWBFSA-N 381.431 2.214 10 40 GECB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OC(C)=O)c(Br)c2)S1 408754106 LWYXZMKQUGHAFP-SDQBBNPISA-N 383.223 2.481 10 40 GECB O=C1/C(=C/c2cccnc2)SC(=S)N1NS(=O)(=O)c1ccccc1 6184446 XIXDZWZPDINDFE-LCYFTJDESA-N 377.472 2.176 10 40 GECB CCOC(=O)COc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 6843595 XGOFETYEEIXMGD-FOWTUZBSSA-N 396.399 2.099 10 40 GECB O=C(O)/C=C\C(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1O 80316300 MMOSKVLYNGLARL-LZNQSLFOSA-N 380.356 2.439 10 40 GECB COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)cc1 4806503 WTRNVEKJBPADMF-JYRVWZFOSA-N 387.373 2.327 10 40 GECB O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/NCCN1CCCCC1 19996877 MILMWTXDAMDQBV-NTCAYCPXSA-N 392.912 2.047 10 40 GECB O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 408942232 YHLCIEDRKHAUPL-NTEUORMPSA-N 382.288 2.169 10 40 GECB C[C@H]1Cc2cc(/C=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 16810392 BRDLDJIYNJREKU-MMLOXZFYSA-N 395.527 2.398 10 40 GECB COC(=O)c1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96930763 KHBOETMMFLLUND-NTCAYCPXSA-N 392.502 2.007 10 40 GECB COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)o1 3117920 COIOZSNSQAFHIO-UHFFFAOYSA-N 385.332 2.297 10 40 GECB COc1c(CC(C)=O)ccc2c1C(=O)c1ccc(C=O)c(OC(C)=O)c1C2=O 5601996 CRSVJZFTVSRTRS-UHFFFAOYSA-N 380.352 2.340 10 40 GECB CN1C(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)N(C)C1=S 6319945 PPADKSVRKNRMRN-UHFFFAOYSA-N 398.400 2.381 10 40 GECB Cc1ccccc1-n1c(C)cc(C(=O)N2CCN(CC(=O)NC3CC3)CC2)c1C 36389542 NDTZFXJVQWRIPK-UHFFFAOYSA-N 394.519 2.439 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C)cc3[N+](=O)[O-])C2=O)cc1 408529288 HJVLZQXYNJEGIJ-UVTDQMKNSA-N 396.359 2.491 10 40 GECB CCC1CCC2(CC1)NC(=O)N(CC(=O)NCc1ccc(N(C)C)cc1)C2=O 7230134 RVAAGBGQPKLYTC-UHFFFAOYSA-N 386.496 2.260 10 40 GECB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(F)cc2)C1=O 408903796 ZJTRYJKWZDTWKK-NTEUORMPSA-N 385.307 2.409 10 40 GECB COC(=O)c1[nH]c2ccccc2c1/C=C1/SC(=S)N(CC(=O)O)C1=O 13693501 LZRRNNQKQHFDJQ-IZZDOVSWSA-N 376.415 2.240 10 40 GECB CN(C)/N=N/c1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 850344 DOMVEXKTZKRJQW-RJCBAWPRSA-N 376.438 2.221 10 40 GECB COc1ccc(N2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1 1389157 VIQXNNGDPITLIE-UHFFFAOYSA-N 378.358 2.478 10 40 GECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)c(F)c3)CC2)cc1 38594615 BSCVEJNWVYXHEG-UHFFFAOYSA-N 380.441 2.354 10 40 GECB CCn1c(=O)c(C2=NNC(=O)/C2=C\Nc2nccs2)c(O)c2ccccc21 101628221 IIPSREJMYDGZAF-LUAWRHEFSA-N 381.417 2.013 10 40 GECB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1ccccc1C(=O)O 408912264 DVHXYUMRPHADQR-NTEUORMPSA-N 383.429 2.049 10 40 GECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1O 2233590 UKZJQJGZGZDRNJ-QPEQYQDCSA-N 386.335 2.215 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCC2=CCCCC2)N(C)C)cc1 5340334 NOAUNWJTKASQKH-HXUWFJFHSA-N 386.540 2.478 10 40 GECB COc1ccc(N2CCN(C(=O)[C@H]3CN(C(C)=O)c4ccccc4O3)CC2)cc1 7990704 XUUNZRDMIQJVRT-OAQYLSRUSA-N 395.459 2.158 10 40 GECB COc1ccc(N2CCN(CCCNC(=O)[C@H]3Cc4ccccc4O3)CC2)cc1 32764309 MBOITBGGPHMXAE-JOCHJYFZSA-N 395.503 2.327 10 40 GECB CC(C)(C)OC(=O)N1CCN(Cc2cc(=O)oc3cc(O)c(O)cc23)CC1 95466765 WNDNFNADJOQDEA-UHFFFAOYSA-N 376.409 2.257 10 40 GECB CN(C)c1ccc(CNC(=O)COC(=O)c2cc(Br)c[nH]2)cc1 12527371 RDMJSCVIWWNBGN-UHFFFAOYSA-N 380.242 2.316 10 40 GECB COC(=O)c1ccccc1/N=N\N(C)C[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OC 104217256 FDTNEIWEYAWGOA-DQAFZKFJSA-N 379.413 2.295 10 40 GECB COc1ccc(CCN/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 2446246 PGQDATSGSXDZES-SFQUDFHCSA-N 383.379 2.133 10 40 GECB C[C@@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)O 409190570 SITCOOFUJHMYBX-PKVLTRFUSA-N 396.424 2.370 10 40 GECB CC(C)S(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(F)cc3)C(=N)N21 4971147 KLOCHSZEUSGMMW-XZPRFMIFSA-N 380.426 2.226 10 40 GECB O=C(NCc1ccc(N2CCCC2)cc1)N1CCC(N2CCCNC2=O)CC1 178791163 SSLUKLOELXUEKA-UHFFFAOYSA-N 385.512 2.376 10 40 GECB CCOc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC)c(O)c2)C1=O 409235870 CWUXWRRZZIFCEQ-JLHYYAGUSA-N 382.372 2.466 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)NC3CCCCCC3)N(C)C)ccc21 8963941 HOFBTSHXZFAJTF-HXUWFJFHSA-N 386.540 2.237 10 40 GECB O=C(COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1)Nc1ccc(Cl)cc1 409219646 SSRBWRSGUYXDGN-UHFFFAOYSA-N 399.790 2.107 10 40 GECB O=C(CN1C(=O)/C(=C\c2ccccc2)SC1=S)NCCCn1ccnc1 33537516 TXZGCUSKSVINJC-RVDMUPIBSA-N 386.502 2.291 10 40 GECB COc1cc([N+](=O)[O-])ccc1N/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O 5611534 OGPRHIYGNAHNIX-JLHYYAGUSA-N 382.332 2.182 10 40 GECB CC(=O)N1C(=O)/C(=C2/SC(=S)N(CCCC(=O)O)C2=O)c2ccccc21 3192001 LFKCTVGHCSUFQG-BUHFOSPRSA-N 390.442 2.016 10 40 GECB O=C(CC(=O)N1CCc2ccccc21)C(=O)CC(=O)N1CCc2ccccc21 12338607 LOOURAGZPRGOPQ-UHFFFAOYSA-N 376.412 2.083 10 40 GECB C[C@H]1CN(c2ccc(CNC(=O)COC(=O)[C@@H]3C[C@H]3C)cc2F)C[C@@H](C)O1 50452523 HXDRGCOXMJIFCR-HGTKMLMNSA-N 378.444 2.255 10 40 GECB O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/NCCN1CCCCC1 20024668 LAVCHFSLJIYDRC-OUKQBFOZSA-N 392.912 2.047 10 40 GECB COc1cccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589242 KZBWWZVBOCASLB-QFIPXVFZSA-N 396.535 2.480 10 40 GECB biogenic Cc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C1=O)OCO2 408951634 MCKPLTIXEGRXBI-WLRTZDKTSA-N 394.339 2.119 10 40 GECB CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 15277569 YLERWQOEHNKWDH-WCLQXYBISA-N 380.400 2.076 10 40 GECB O=C(c1cnccn1)N1Cc2cc(N3CCOCC3)ccc2[C@@H]1c1cnco1 96260748 WNULLQUMUYALCP-LJQANCHMSA-N 377.404 2.047 10 40 GECB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2[N+](=O)[O-])C1=O 13769404 MLSZUORBKLDDQP-LCYFTJDESA-N 388.430 2.480 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CC(=O)N[C@@H](C(=O)O)C(C)C)C2=O)cc1 5374937 GPJVITVYTKDPNI-XETPBLJFSA-N 392.502 2.422 10 40 GECB COc1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)cc1 22589035 QNGQUWPYCBWAKN-QFIPXVFZSA-N 396.535 2.480 10 40 GECB biogenic COc1ccc(C)cc1NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C 5340527 KCZJHHHSZVSCRT-LJQANCHMSA-N 398.507 2.427 10 40 GECB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc([N+](=O)[O-])c1O 13343640 SFCADGYTKBOQTN-XFFZJAGNSA-N 398.418 2.375 10 40 GECB O=C(O)/C=C\C(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1O 80316305 MMOSKVLYNGLARL-ZPIQOJFGSA-N 380.356 2.439 10 40 GECB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)N1CCNC1=O 14095676 BSRUGBFEXVGGJE-HNNXBMFYSA-N 386.477 2.373 10 40 GECB CN(C)c1ccc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)cc1 55916449 KGVNXQIZIZPPMM-SFHVURJKSA-N 380.492 2.384 10 40 GECB CCN(CC)CCNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199428501 OXYSIVALDNKVLZ-HXUWFJFHSA-N 397.519 2.483 10 40 GECB Oc1ccccc1CN1CC2(CN(Cc3ccccc3)C[C@@H]3COCCN32)C1 604381570 HTHRBBWPWLQBDB-OAQYLSRUSA-N 379.504 2.163 10 40 GECB biogenic,in-vitro O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1C(=O)O 2420954 MVNPKSGXGFTQOZ-NTEUORMPSA-N 399.403 2.263 10 40 GECB COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(C)C3=O)o2)c(C)c1 659721 XTEOTHKQVHBSQI-NTEUORMPSA-N 384.413 2.298 10 40 GECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3cccc(OC)c3O)C2=O)cc1 1191645 GLWOGKIZYURPSC-RVDMUPIBSA-N 382.372 2.039 10 40 GECB CCOC(=O)c1c(NC(=O)C[C@@H]2SC(N)=NC2=O)sc2c1CC[C@H](C)C2 11859530 PEBUPNOMTVMQHK-KWQFWETISA-N 395.506 2.335 10 40 GECB C[C@@H]1Cc2cc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 16810386 BRDLDJIYNJREKU-CBMCWEALSA-N 395.527 2.398 10 40 GECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)Cn1nc2n(c1=O)CCCCC2 30524827 NFKDRZHNESAMSF-UHFFFAOYSA-N 397.523 2.420 10 40 GECB O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1844038 RLXKGHGRYSGDEF-LIOBOASVSA-N 393.511 2.394 10 40 GECB COCCCN1C(=O)/C(=C\Nc2ccc(Cn3cncn3)cc2)SC1=S 8992220 MJCPXPVXDFWSBO-OQLLNIDSSA-N 389.506 2.477 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(F)cc(F)c3)CC2)cc1 6533415 BBYKLSLRSJPZAK-UHFFFAOYSA-N 390.386 2.479 10 40 GECB CCOc1ccc(N2C(=O)/C(=C\NCCCn3ccnc3)C(=O)N=C2S)cc1 102502067 FFFDVKGUCWPVCI-VBKFSLOCSA-N 399.476 2.005 10 40 GECB O=S1(=O)CC[C@H](N(Cc2ccccc2)Cc2cc3c(cc2O)OCO3)C1 24227919 QPJGEXVXSYFLGF-INIZCTEOSA-N 375.446 2.310 10 40 GECB O=C(C1=CN(c2ccc(F)cc2)c2ccccc2S1(=O)=O)N1CCOCC1 48988538 PRPNJXJUAYPINJ-UHFFFAOYSA-N 388.420 2.451 10 40 GECB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2cccnc2)C1=O 4678251 QGXQSKYBDKAICI-GZTJUZNOSA-N 392.415 2.357 10 40 GECB COc1ccc(-n2nnnc2CNC(=O)Nc2cccc(OC)c2OC)cc1 9571381 GAALJSZYIVVJRO-UHFFFAOYSA-N 384.396 2.010 10 40 GECB O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\NCCc1c[nH]c2ccccc12 20028334 ZVDCYPHEMIDPGB-AQTBWJFISA-N 388.427 2.463 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2cc(F)ccc2F)N(C)C)cc1 4330445 HHNJLPDHBIIZKW-GOSISDBHSA-N 390.434 2.388 10 40 GECB Cc1cc(O)c([C@H](C(=O)OC(C)C)C(=O)C(F)(F)F)cc1NS(C)(=O)=O 11615809 UDDJHKJAHTYANE-LBPRGKRZSA-N 397.371 2.239 10 40 GECB CN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)NC1=S 408913767 NQDICYMSQKJYMW-XVNBXDOJSA-N 375.631 2.065 10 40 GECB COc1cccc(NC(=O)COc2ccc(N3CCN(C(C)=O)CC3)cc2)c1 32956445 HRVNZFJLCHWXET-UHFFFAOYSA-N 383.448 2.381 10 40 GECB O=C1N[C@@H](c2ccccc2O)[C@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 170620754 OTFWNMJGGXWYHG-KEYYUXOJSA-N 380.322 2.496 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N3CCCC3)ccc21 8964058 MDRUAVVSNVVCBL-NRFANRHFSA-N 398.551 2.381 10 40 GECB COc1cc(CCc2cc(O)n3ncc(C(=O)Nc4ccccc4)c3n2)on1 19550482 ZEJCHEHVHOVGEF-UHFFFAOYSA-N 379.376 2.469 10 40 GECB CC(=O)Nc1ccc(N2C(=O)C/C(=C3/C(=O)N(C)c4ccccc43)C2=O)cc1 8990945 YBJTZOIUHBOWNO-MNDPQUGUSA-N 375.384 2.339 10 40 GECB NC(=O)[C@H]1CCCN(C(=O)CN2CCCc3cc(OC(F)(F)F)ccc32)C1 29923452 DDGJQRNVQLSOCN-ZDUSSCGKSA-N 385.386 2.062 10 40 GECB COc1ccc(N2CCN(C(=O)[C@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)CC2)cc1 101420414 NUIUUWODTRAFGI-VXKWHMMOSA-N 384.476 2.308 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC)c(C(=O)O)c3)C2=O)cc1 409048846 UGOPIEPXDTUYOT-GDNBJRDFSA-N 396.355 2.068 10 40 GECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 34780828 HBIAJXLWPXOFJD-KSRYWAHESA-N 398.418 2.072 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O 102685744 IOWRDABBKKFVCY-NRFANRHFSA-N 393.487 2.283 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(C)=O)cc3)C2=O)cc1 408536967 BSBMNJQHYIUGRW-BOPFTXTBSA-N 379.372 2.477 10 40 GECB O=C(C(=O)c1ccc(N2CCOCC2)cc1)c1ccc(N2CCOCC2)cc1 4954500 JJQMFRYNPWTURK-UHFFFAOYSA-N 380.444 2.425 10 40 GECB O=c1/c(=C/c2ccco2)sc2n1CN(c1ccc(OC(F)(F)F)cc1)CN=2 6672665 WRMMBHXKBBQOKL-ZSOIEALJSA-N 395.362 2.285 10 40 GECB COc1cccc(CN2CCC[C@H](c3nnsc3S(C)(=O)=O)C2)c1O 19567194 XEDKHXVZFFJPMY-NSHDSACASA-N 383.495 2.035 10 40 GECB O=S(=O)(N1CCCC1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 26626490 CRQTYLFPSJNHFX-UHFFFAOYSA-N 375.494 2.004 10 40 GECB CC1=NN(c2ccc(S(N)(=O)=O)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 96193252 CYIGHBAXXVWPCI-YBEGLDIGSA-N 386.389 2.048 10 40 GECB CN1CCN(c2ccc(CNC(=O)CCc3ccc4c(c3)OCCO4)cc2)CC1 222648347 UBXPRWOSQQZDRT-UHFFFAOYSA-N 395.503 2.459 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4c(c3)oc(=O)n4C)C2=O)cc1 16292708 KVVAQRBXVRNHQY-UVTDQMKNSA-N 392.371 2.019 10 40 GECB CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 4263402 LZRKNDBASAKNII-QINSGFPZSA-N 394.518 2.127 10 40 GECB Cc1cc(C(=O)CSc2nc(N)nc(N)n2)c(C)n1-c1ccc2c(c1)OCO2 5226331 GNAPPIDUXJGATG-UHFFFAOYSA-N 398.448 2.147 10 40 GECB Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 7587414 BLGHTIQZTDOUEY-UHFFFAOYSA-N 375.494 2.410 10 40 GECB COc1ccc(N2CCCC2=O)c(NS(=O)(=O)c2cccc3nonc23)c1 72405883 KNBCGIABVKPSRF-UHFFFAOYSA-N 388.405 2.159 10 40 GECB Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(O)cs3)CC2)c1 101044073 ROFAYQKOFYVTMQ-UHFFFAOYSA-N 380.491 2.217 10 40 GECB N=c1[nH]n2c([nH]c(=N)c3c(=N)[nH][nH]c32)c1/N=N/c1ccc(Br)cc1 104222148 WYGLQHIDFTVCHM-FMQUCBEESA-N 387.205 2.021 10 40 GECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1ccc(Br)cn1 6474566 CDFWSYRLXOSVKP-XFXZXTDPSA-N 387.193 2.423 10 40 GECB COc1cc(C)cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)c1O 49605860 RGJNIWBJRQPYMC-UHFFFAOYSA-N 382.507 2.277 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3C)nnc2n1 4279660 HEGRGCYCCSWKKF-UHFFFAOYSA-N 386.485 2.422 10 40 GECB COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 4419397 FCYLIPQWSCAJEI-UHFFFAOYSA-N 384.432 2.209 10 40 GECB COC(=O)COc1ccc(Br)cc1/C=C1\SC(=S)NC1=O 409341346 BEOJKHWYEBPSJL-YHYXMXQVSA-N 388.264 2.490 10 40 GECB O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 4682278 CMEUGDZETMLOAZ-XNTDXEJSSA-N 380.379 2.487 10 40 GECB CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3O)C2=O)cc1 408886192 ITTXUKRWGRRODI-MHWRWJLKSA-N 382.372 2.466 10 40 GECB COc1cccc(N2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)c1 2501316 GTHPCIYISZESOT-UHFFFAOYSA-N 390.490 2.211 10 40 GECB Cc1c(NC(=O)NCCc2ccc(O)c(O)c2)c(=O)n(-c2ccccc2)n1C 95410019 MVGSNXGSBICJQR-UHFFFAOYSA-N 382.420 2.260 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 408925665 SQJAWWOHAGREPY-UHFFFAOYSA-N 386.816 2.474 10 40 GECB CC[C@]1(O)C[C@H](O)c2c(cc3c(c2O)C(=O)c2ccccc2C3=O)[C@@H]1C(=O)OC 6667726 JMBNMZNXXIBRQB-ORHBMQHOSA-N 396.395 2.002 10 40 GECB C[C@@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N(C)C)cc2)CC3)C[C@@H](C)O1 19497589 GMHBFNLJBSZFEF-HZPDHXFCSA-N 397.523 2.420 10 40 GECB CCOc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 49942398 ZKDVCORVFXZTEI-IGVUGNCQSA-N 383.516 2.474 10 40 GECB NS(=O)(=O)c1ccc(N2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 6189721 VGLLGOCHNBEXRI-LCYFTJDESA-N 377.472 2.135 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(F)c3)nnc2n1 4570510 CHSOCFARQKWEOX-UHFFFAOYSA-N 390.448 2.253 10 40 GECB O=C(O)[C@H](CO)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 5374222 OUPGMQIYDWZRLQ-QFQXNISHSA-N 388.264 2.096 10 40 GECB CN1CCN([C@@H](CNC(=O)c2ccccc2)c2ccc3c(c2)CCN3C)CC1 22733789 VTDBNOXNLQAPIL-QFIPXVFZSA-N 378.520 2.397 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3cc(C(F)(F)F)ccc3=O)CC2)cc1 3555619 YOVPFKURUJGAHZ-UHFFFAOYSA-N 395.381 2.225 10 40 GECB Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963844 BOFAGZWKMKCIGG-OAQYLSRUSA-N 394.519 2.023 10 40 GECB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NN1CCN(C)CC1 112122083 QJWBNTQNOCIOEV-JXAWBTAJSA-N 386.456 2.124 10 40 GECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(OC)c1O 13775133 YKKHOCXQOPLGJM-JYRVWZFOSA-N 382.372 2.384 10 40 GECB O=C1NC(=S)S/C1=C/c1cc(Br)c(N2CCOCC2)o1 59678284 HXTGHWPGJXULGA-RMKNXTFCSA-N 375.269 2.368 10 40 GECB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1[C@H]1CCS(=O)(=O)C1 1844040 RLXKGHGRYSGDEF-PBTLCFMXSA-N 393.511 2.394 10 40 GECB COc1ccc(N2CN=c3s/c(=C\c4ccc(Cl)cc4)c(=O)n3C2)cc1 4562087 PLSRDSGHHGDMEV-YVLHZVERSA-N 385.876 2.455 10 40 GECB CCN(C(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1)[C@@H]1CCS(=O)(=O)C1 7777741 QKUQYZCLWSHFAQ-GOSISDBHSA-N 399.468 2.401 10 40 GECB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 13758146 MKUYEZWFBCLHNM-LCYFTJDESA-N 388.430 2.480 10 40 GECB NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2)C1 55916402 AHHHSUCHEKGHSP-MRXNPFEDSA-N 381.432 2.047 10 40 GECB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)SC(=S)N1CCN1CCOCC1 96930780 IXSSDFGEFBDQPB-SDNWHVSQSA-N 379.463 2.128 10 40 GECB COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1 409000415 SXFQLRXCOVSYLL-SXGWCWSVSA-N 395.415 2.281 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ccccc2)N2CCCC2)cc1 5340608 QIKQQOUXDRLBRA-NRFANRHFSA-N 394.519 2.322 10 40 GECB CCc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCOCC3)C2=O)cc1 16770036 QTEMXQUVNYKNJR-PTNGSMBKSA-N 376.503 2.309 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)Cn1ncc(Cl)c(Cl)c1=O 16878603 MAJDIQSEZSBQPV-UHFFFAOYSA-N 383.279 2.476 10 40 GECB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(C(=O)O)c1 2427371 VGWKGHJPABXWCG-OQLLNIDSSA-N 399.403 2.263 10 40 GECB CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)C(=O)NC1=S 6578454 HINGMLXDKSYCFA-GORDUTHDSA-N 394.044 2.061 10 40 GECB CCN1C(=O)NC(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)C1=O 4676262 DBCKBEFWSBMTEB-YBEGLDIGSA-N 382.376 2.484 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCC(=O)O)C2=O)cc1 5374944 FIBJJIHUXRKPGN-JLHYYAGUSA-N 378.475 2.177 10 40 GECB COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1COC(C)=O 6296255 NVHQPCHOZBXYLR-AWNIVKPZSA-N 381.431 2.044 10 40 GECB CCCCN1C(=O)N=C(O)/C(=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)C1=O 102495279 BSNVSNAXFKVAOY-QINSGFPZSA-N 397.435 2.499 10 40 GECB CCCNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 32795143 XRPFKIPXFRSLOH-UHFFFAOYSA-N 379.394 2.241 10 40 GECB Cc1cc(=O)n2c(n1)NC(N1CCc3ccccc31)=N[C@@H]2c1ccc(O)c(O)c1 104279974 PXYCICCBPSPQMK-IBGZPJMESA-N 389.415 2.354 10 40 GECB C[C@@H]1Cc2cc(/C=C3/SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 5201283 BRDLDJIYNJREKU-FDAGFBAHSA-N 395.527 2.398 10 40 GECB CN(C)CCNC(=O)/C(=C\c1ccc(N(C)C)cc1)NC(=O)c1ccccc1 23199948 KFRIYRHTSZAUKK-CAPFRKAQSA-N 380.492 2.201 10 40 GECB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 100786523 HQMJYRGBZWDBQR-SAPNQHFASA-N 380.448 2.238 10 40 GECB CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccc4ccccc34)C(=N)N21 4971117 IVYKMNXKUOQTMJ-KXXGJRMMSA-N 384.442 2.461 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)NCc2cccc(Cl)c2)cc1 9157560 BJLZKDBIPGJFRX-UHFFFAOYSA-N 375.856 2.347 10 40 GECB O=S(=O)(N1CCCCCC1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 32888216 ZDVJVFWMDSGMKR-UHFFFAOYSA-N 393.553 2.119 10 40 GECB CN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)NC1=S 408912511 HTCVTVWCWHIUJW-NTEUORMPSA-N 397.412 2.430 10 40 GECB Cc1ccc(CNC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5340194 BUYDZGDZJWFOOZ-FQEVSTJZSA-N 382.508 2.096 10 40 GECB CCCCN1C(=O)[C@@H]2[C@H](c3ccccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 19848920 WTQZZTGGLKXCSY-NWZZKEMCSA-N 388.464 2.307 10 40 GECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1277031 FPHFAGJFIRHJGE-PGEKAQRJSA-N 397.474 2.475 10 40 GECB CCOCCCNC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O 4820006 XLNHPBORXMHVAH-UHFFFAOYSA-N 396.443 2.023 10 40 GECB COc1ccc2c(c1)CCCN2CC(=O)NCC(=O)Nc1ccc(F)c(F)c1 22015402 UCJDCMJFTAZCKM-UHFFFAOYSA-N 389.402 2.481 10 40 GECB CCOC(=O)C1=NN(c2ccccc2)C(=O)C1(Br)Br 16682585 NYTFQLJPHDEGFJ-UHFFFAOYSA-N 390.031 2.438 10 40 GECB O=C1N=C(N2CCOCC2)S/C1=C\c1cc2cccc3c2n(c1=O)CCC3 36625745 CNESLLAHVULXLP-VBKFSLOCSA-N 381.457 2.250 10 40 GECB Cc1c2c(cc(=O)n1Cc1ccco1)N[N@@H+](c1nc3ccccc3s1)C2=O 669458703 FISMMBUEABWPDP-UHFFFAOYSA-O 379.421 2.105 10 40 GECB NCCC(=O)O[C@H]1CCCc2c(O)c3c(c(O)c21)C(=O)c1ccccc1C3=O 5124896 MOUNDAWETWVILR-ZDUSSCGKSA-N 381.384 2.143 10 40 GECB O=C(NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 199406851 HBDJKZJIWVUJCN-OALUTQOASA-N 382.460 2.320 10 40 GECB COc1ccc(N2CCN(c3nc4c(C)cccn4c(=O)c3C=O)CC2)cc1 16806124 APRQKFJFDTVSJN-UHFFFAOYSA-N 378.432 2.151 10 40 GECB CCN1C(=O)/C(=C/c2ccc(OCC(=O)N3CCOCC3)cc2)SC1=S 409338209 FSXUXVCYSJGQJU-PTNGSMBKSA-N 392.502 2.145 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccccc3C)CC2)cc1 5086755 SWWNQHDXSZHUEW-UHFFFAOYSA-N 382.460 2.438 10 40 GECB CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccccc2)N2CCOCC2)cc1 21042721 UWVVPVGEGUHOFC-FQEVSTJZSA-N 389.521 2.104 10 40 GECB COc1cc(/C=C2\SC(=S)N(NC(=O)c3cccnc3)C2=O)ccc1O 12733633 RKUWEWZKESOTDY-ZSOIEALJSA-N 387.442 2.342 10 40 GECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc(OC)c1O 36081869 UKZJQJGZGZDRNJ-NTUHNPAUSA-N 386.335 2.215 10 40 GECB CN(C)c1ccc(CNC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)cc1 40097168 STJSOJBSGYJEOL-UHFFFAOYSA-N 376.482 2.325 10 40 GECB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1 56105681 FTFWRDNMOIARBW-UHFFFAOYSA-N 396.534 2.415 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)Nc3cccc(C)c3)nnc2n1 4279661 RTCMNGBSAKNFGL-UHFFFAOYSA-N 386.485 2.422 10 40 GECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C\c3ccccc3OC)C2=O)c1 9164639 KJDFPHVGPMXDIZ-GXDHUFHOSA-N 382.372 2.379 10 40 GECB CC(=O)N1CCc2cc(S(=O)(=O)N(C)Cc3ccc(N(C)C)cc3)ccc21 14094347 UBEVOPLCEXYERI-UHFFFAOYSA-N 387.505 2.482 10 40 GECB CC(=O)Oc1ccccc1/C=C1\SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O 16791004 YTOFLWGTXNGNFJ-UGMNDJHYSA-N 397.499 2.000 10 40 GECB COc1ccc(N2CCN(C(=O)c3c(-n4cnnn4)sc(C)c3C)CC2)cc1 524732498 JLUNEDZZIICZPR-UHFFFAOYSA-N 398.492 2.312 10 40 GECB CCn1c(=O)c(C2=NNC(=O)/C2=C\c2ccc(O)cc2)c(O)c2ccccc21 102208915 ASSXTZKFNUHBFF-PTNGSMBKSA-N 375.384 2.350 10 40 GECB COc1ccc(S(=O)(=O)N(C)Cc2ccc(N3CCOCC3)cc2)cc1 12554920 AGILBGBGTMDZFB-UHFFFAOYSA-N 376.478 2.353 10 40 GECB C[C@H](Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2)C1=O)C(=O)O 409190571 SITCOOFUJHMYBX-YGRGUWMTSA-N 396.424 2.370 10 40 GECB CC1=NN(C(N)=S)C(=O)[C@@H]1/N=N/c1ccc(S(=O)(=O)O)c2ccccc12 100524817 OIASRVNBXNMINB-OYLHUBKDSA-N 391.434 2.001 10 40 GECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4687960 QVGXATUJAZMENB-PKVLTRFUSA-N 376.434 2.121 10 40 GECB COc1ccc(N2CCN([C@@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 39561426 WDWOCMBWFDXVFJ-INIZCTEOSA-N 397.475 2.251 10 40 GECB COc1ccc(N2CCN(c3cc(C)nc(-n4cc([N+](=O)[O-])cn4)n3)CC2)cc1 4331243 FHBAGYVEPFVRCM-UHFFFAOYSA-N 395.423 2.214 10 40 GECB COc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C2=O)c1 6158793 TVGQUVWRULFRES-BOPFTXTBSA-N 394.387 2.232 10 40 GECB C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C(N)=O)C(C)(C)C)cc2F)C[C@@H](C)O1 95446590 ATRYRROOQBRJGP-IIYDPXPESA-N 394.491 2.139 10 40 GECB O=C1[C@@H]2[C@@H]3CCCN3C3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1ccccc1 16038551 PNRWENIMAZGMFJ-KSZLIROESA-N 386.407 2.088 10 40 GECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 4687959 QVGXATUJAZMENB-YGRGUWMTSA-N 376.434 2.121 10 40 GECB O=C(O)[C@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 4831842 DXIWQQDLNYUZKV-UVTIVQHFSA-N 384.483 2.319 10 40 GECB COc1ccc(N(CCC(N)=O)CC(=O)NC(=O)Nc2cccc(C)c2C)cc1 9157817 BBAMTEVRGDRMBZ-UHFFFAOYSA-N 398.463 2.342 10 40 GECB O=c1cc(CN2CCN(Cc3cc4c(cc3O)CCC4)CC2)nc2sccn12 22790117 QZQFKMMKYOMZRA-UHFFFAOYSA-N 396.516 2.268 10 40 GECB CCOc1cc(/C=C2\SC(=S)N(CC(=O)O)C2=O)ccc1OC(C)=O 409338522 LHVBKNXFSSPAMK-QPEQYQDCSA-N 381.431 2.296 10 40 GECB O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc3c(c2)OCO3)CC1 1462748 VHTNRNOAQVVCOC-UHFFFAOYSA-N 378.384 2.484 10 40 GECB COc1ccc(N2CCN(C(=O)CNC(=O)c3ccccc3Cl)CC2)cc1 2647621 YTPLEXVWSJYXAV-UHFFFAOYSA-N 387.867 2.427 10 40 GECB Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(C)CC(=O)NC3CC3)c2C)cc1 6976768 PSSUAYNIWRUTCC-UHFFFAOYSA-N 397.475 2.296 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 13618758 ZKDVCORVFXZTEI-OJLMPMFISA-N 383.516 2.474 10 40 GECB C#CCOc1c(OC)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 107891404 QDBJDMHOKNNSKK-WJDWOHSUSA-N 378.384 2.177 10 40 GECB Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 631978 URLTYXNPXRFGPR-UHFFFAOYSA-N 397.456 2.422 10 40 GECB CCOC(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 408547089 UELWSIIEVPHWIZ-GDNBJRDFSA-N 383.360 2.031 10 40 GECB Cc1cc(CN2C[C@@H]3C[C@@H](O)CN3C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2 19567561 RZUACRPDFPVODI-RYGJVYDSSA-N 383.492 2.462 10 40 GECB COc1ccccc1NC(=O)COc1ccc(N2CCN(C(C)=O)CC2)cc1 32956478 HCHXNOPKKYLIGR-UHFFFAOYSA-N 383.448 2.381 10 40 GECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)Nc1ccccc1Cl 408999968 WKDGAOYWQUJPHZ-UHFFFAOYSA-N 399.790 2.107 10 40 GECB O=C(COc1ccccc1C=C1C(=O)NC(=O)NC1=O)Nc1ccccc1Cl 409265739 OJEFNSXTNQTIDZ-UHFFFAOYSA-N 399.790 2.107 10 40 GECB CN(C)CCNC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 8990882 NTHTZNWWRBCTCW-UKTHLTGXSA-N 383.926 2.219 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)CNC(=O)c1ccc(Br)o1 18150641 HPGRZVCFGYFZHD-UHFFFAOYSA-N 394.269 2.497 10 40 GECB Cc1ccc(OCCN/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1 3165806 YQXQKXZKDGCRSF-QGOAFFKASA-N 379.416 2.126 10 40 GECB COc1cccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1OC 13645279 LZEPYXDDHUOUAX-JYVXZMADSA-N 399.515 2.092 10 40 GECB CCN(CC)CCN/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 100191254 BLCZJNDKQKVDMS-SDNWHVSQSA-N 398.385 2.104 10 40 GECB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C(/C)NCCO)cc1 112124229 YFMRZAJAQADPQH-AQTBWJFISA-N 396.403 2.210 10 40 GECB Oc1ccccc1CN[C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cc(-c3ccccc3)cn2)[C@H]1O 1534639834 JLIHITTYDCSIPB-CSEOROSGSA-N 393.443 2.071 10 40 GECB COc1cc(/C=C2/SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O 31761421 MLTQJDHWXWXOEG-FOWTUZBSSA-N 394.518 2.324 10 40 GECB COc1ccc(N2CCCN(CC3CCN(CC(=O)N(C)C)CC3)CC2)cc1 72338583 FETHWLKCACORFR-UHFFFAOYSA-N 388.556 2.008 10 40 GECB CCN1C(=O)/C(=C\c2ccc(OCC(=O)NC(C)C)cc2)C(C(=O)OC)=C1C 408772265 NHLYFQHRKDSQBH-BOPFTXTBSA-N 386.448 2.283 10 40 GECB CC(=O)c1cccc(N/C=C2/C(=O)N(c3ccc4nnc(C)n4n3)N=C2C)c1 36358425 ZQIAJGHWNWVGPS-MHWRWJLKSA-N 375.392 2.354 10 40 GECB Cc1cc(Br)cc([N+](=O)[O-])c1NC=C1C(=O)N(C)C(=O)N(C)C1=O 408537057 YYJMRUVVQJBOQR-UHFFFAOYSA-N 397.185 2.012 10 40 GECB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 408741713 RRMGQCUJWMENIK-JYRVWZFOSA-N 397.343 2.278 10 40 GECB COC(=O)[C@@H](C)N1C(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)SC1=S 34780830 HBIAJXLWPXOFJD-KLDHPSGWSA-N 398.418 2.072 10 40 GECB Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c(C)n1-c1cccc(Cl)c1 57193783 JGWGUGRKEYNFBA-UHFFFAOYSA-N 395.912 2.465 10 40 GECB CC1=NN(c2ccccc2)C(=O)[C@@H]1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 100149917 IWYSGHMAFVVDAY-WISAJEAXSA-N 388.383 2.235 10 40 GECB COc1ccc(C)cc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 5340525 KCZJHHHSZVSCRT-IBGZPJMESA-N 398.507 2.427 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3ccc(=O)c4cc(F)ccc43)CC2)cc1 225752169 RQVPLHGWOYXJMB-UHFFFAOYSA-N 395.434 2.498 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)COc3ccccc3)N3CCOCC3)ccc21 22733223 GWGPQUSCJBVQBM-JOCHJYFZSA-N 395.503 2.247 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)N(C)C)cc3)C2=O)cc1 95471541 HKJOANUUIOPAAA-ATVHPVEESA-N 392.415 2.276 10 40 GECB Cc1cccc(N2C(=O)/C(=C/NCc3ccc4c(c3)OCO4)C(=O)NC2=S)c1 101032598 YGTGUWUWPFQPJL-XNTDXEJSSA-N 395.440 2.145 10 40 GECB Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1-c1cccc(C(=O)O)c1 408912302 FCHLTRFZQDHJPS-OQLLNIDSSA-N 383.429 2.049 10 40 GECB CN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)N(C)C1=O 408857725 MALHGPQCZMYFBJ-UHFFFAOYSA-N 394.383 2.398 10 40 GECB COc1ccc(N2CCN(C(=O)C3CCN(C(=O)c4ccco4)CC3)CC2)cc1 8720530 BKUKXRIHHOHFBM-UHFFFAOYSA-N 397.475 2.489 10 40 GECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3)N(C)C)ccc21 13008686 FRWUYKZQXGHCJB-HXUWFJFHSA-N 380.492 2.427 10 40 GECB CCOC(=O)[C@@H](C)Oc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 33622548 MQOTUTBSNNSMER-VVTMIQRTSA-N 380.400 2.478 10 40 GECB O=C1N=C(S)N(c2ccc(Cl)cc2)C(=O)/C1=C\NCCN1CCCCC1 103094861 MILMWTXDAMDQBV-QINSGFPZSA-N 392.912 2.458 10 40 GECB CCOc1cc(/C=C2/C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)ccc1O 16688766 RLQJOYQHDLWGOD-GDNBJRDFSA-N 382.372 2.039 10 40 GECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3cccc(OC)c3)CC2)cc1 72404429 HRCLYWZHFJWJJZ-UHFFFAOYSA-N 398.463 2.174 10 40 GECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 101473612 RAYMJJDLDZNHET-SJWLEHQBSA-N 387.383 2.406 10 40 GECB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(S(N)(=O)=O)cc1 100422869 KMEPZVBQAGAMKQ-RGEXLXHISA-N 398.488 2.163 10 40 GECB COc1ccccc1NN/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 4852137 WATIPEDHHSJGBE-RAXLEYEMSA-N 386.795 2.432 10 40 GECB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1sc2c(c1C(N)=O)CCC2 9883912 FVRSDVSWPUCJSW-UHFFFAOYSA-N 381.435 2.353 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(OCC(=O)O)c3)C2=O)cc1 1200214 UTYQNKLDCNFWCF-MHWRWJLKSA-N 380.356 2.125 10 40 GECB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)O)C2=O)c1 4614837 GZIRWJWGFUIHSH-MHWRWJLKSA-N 394.383 2.433 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3c(=O)oc4ccc(C)cc43)CC2)cc1 59742506 CWJOKYMKFZRHKZ-UHFFFAOYSA-N 381.432 2.260 10 40 GECB COC(=O)c1ccccc1N1C(=O)C/C(=C2/C(=O)N(C)c3ccccc32)C1=O 12408283 DXBQSYQRHVSLIL-JXAWBTAJSA-N 376.368 2.167 10 40 GECB CC(=O)N1CCN(c2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)CC1 32810069 CJIJEDVSRFKMIL-UHFFFAOYSA-N 392.459 2.250 10 40 GECB COc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1OC 19912063 VZQURJHSKABJOG-KYJZABPNSA-N 399.515 2.092 10 40 GECB CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)CC1 217934250 JBHMPHHQPFZXBV-WEVVVXLNSA-N 379.460 2.497 10 40 GECB COC(=O)c1sccc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1 6915090 JHPIMUVWAYQFJM-UHFFFAOYSA-N 396.490 2.054 10 40 GECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC 35362250 QSFPLZOHTAXLHZ-ZROIWOOFSA-N 383.360 2.464 10 40 GECB CCOc1cc(Br)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1OC 6464388 ZTELDXZRKASBHC-UHFFFAOYSA-N 397.225 2.290 10 40 GECB O=C1CN(Cc2c(O)c(C(=O)NCc3ccccc3)cc3ccccc23)CCN1 23873304 GEYQCOOTCQJAFJ-UHFFFAOYSA-N 389.455 2.407 10 40 GECB COc1ccc(/C=C2/SC(=S)N(CC(=O)NC[C@@H]3CCCO3)C2=O)cc1 2634981 ZWUCOKCDFUFXBE-AHSSXEFNSA-N 392.502 2.192 10 40 GECB Cc1cccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(C(=O)N(C)C)cc3)C2=O)c1 4852163 PAQVTMLPCYVPLB-ATVHPVEESA-N 392.415 2.276 10 40 GECB O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C\NCc1ccc2c(c1)OCO2 2238925 PWQNVORBONIXHC-PTNGSMBKSA-N 385.420 2.190 10 40 GECB Oc1nc(N2CCOCC2)nc2c1CCN(Cc1ccc(N3CCCC3)cc1)C2 19334414 NUOWYGUFYGDWJB-UHFFFAOYSA-N 395.507 2.177 10 40 GECB CC[C@H]1CN(Cc2ccc(OC)cc2O)CC[C@H]1CC(=O)N1CCOCC1 5433628 YRWAXGDJGNGPDA-IRXDYDNUSA-N 376.497 2.498 10 40 GECB biogenic,in-vitro CCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138073 AHECJRUWPJCBHC-FQEVSTJZSA-N 386.540 2.238 10 40 GECB COc1ccc(N(CC(=O)O)CC(=O)NCCc2c[nH]c3ccccc23)cc1 34926460 VNNUZACGEINLBI-UHFFFAOYSA-N 381.432 2.426 10 40 GECB Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 2736178 GOTRRVUGDGBRKG-UHFFFAOYSA-N 383.429 2.015 10 40 GECB COc1ccc(N2CCN(S(=O)(=O)c3ccc(OC)cc3OC)CC2)cc1 13737147 ZTYBQNMBIUSEDU-UHFFFAOYSA-N 392.477 2.223 10 40 GECB CN1CCc2cc([C@H](CNC(=O)Cc3cccs3)N3CCOCC3)ccc21 22733318 QZBBSHRKFUFUNW-FQEVSTJZSA-N 385.533 2.473 10 40 GECB O=C(COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl)Nc1ccccc1 409049167 VFMGMZMQXYORSC-UHFFFAOYSA-N 399.790 2.107 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc4nc(O)[nH]c4c3)C2=O)cc1C 100947701 ISSFVIIGCVFUDS-ZROIWOOFSA-N 391.387 2.464 10 40 GECB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O 2163230 BBDJDZJPXQUAJO-PILJQMSFSA-N 396.424 2.370 10 40 GECB C[C@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 4330456 JMJWPDGFZQQNNH-JXFKEZNVSA-N 382.508 2.349 10 40 GECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cc(C(=O)O)ccc1Cl 9324467 CGBIHWFQCFXHLK-XFFZJAGNSA-N 389.751 2.206 10 40 GECB C[C@H]1CN(c2ccc(CNC(=O)N[C@H](C(N)=O)C(C)(C)C)cc2F)C[C@H](C)O1 95446591 ATRYRROOQBRJGP-GDZNZVCISA-N 394.491 2.139 10 40 GECB CCN(CC)CCCN/C=C1\C(=O)N(Cc2ccc(F)cc2)C(=O)N=C1O 102530532 YAUAPAUAYLGVIR-VBKFSLOCSA-N 376.432 2.450 10 40 GECB CN(C)C(=O)CN1CCN(C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)CC1 12514636 YOISZCXUDIRFQY-FMIVXFBMSA-N 398.551 2.313 10 40 GECB CN1C(=O)/C(=C/c2ccc(C(=O)OCCN3CCOCC3)cc2)SC1=S 20227152 LFGYHCYRZDJUAT-QINSGFPZSA-N 392.502 2.007 10 40 GECB COCCCNC(=O)N/C=C1\C(=O)N(c2cccc3ccccc23)C(=O)N=C1O 6735249 MLAQBDSMYLBFEX-QINSGFPZSA-N 396.403 2.483 10 40 GECB O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/NCCN1CCCCC1 19359837 PKCWPOODPFTVHC-NTCAYCPXSA-N 392.912 2.047 10 40 GECB CC(C)c1ccc(N2C(=O)/C(=C\NCCCn3ccnc3)C(=O)NC2=S)cc1 102449968 XWACFPZWIGTJRC-ATVHPVEESA-N 397.504 2.318 10 40 GECB COc1ccc(N(CC(=O)O)CC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 34926546 SNBXYXXJLCYGHH-UHFFFAOYSA-N 397.475 2.243 10 40 GECB CN(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 408948374 FUNBKEWUDAUTBC-OQLLNIDSSA-N 379.372 2.148 10 40 GECB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 409003407 ZZSBOVNKYYGERQ-UHFFFAOYSA-N 388.767 2.405 10 40 GECB CCN(CC)c1ccc(CN(C)C(=O)Cc2c(C)nc3nc(N)nn3c2C)cc1 9154258 DZSRTASMRSMQSF-UHFFFAOYSA-N 395.511 2.371 10 40 GECB CCOc1ccc(/C=C2\C(=O)NC(=S)N(CC)C2=O)cc1Br 409390497 DKKBZUUUUJHIGS-JXMROGBWSA-N 383.267 2.494 10 40 GECB CC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S)C(=O)O 5374915 URUZCCYSVPXWGN-OXBCTQFSSA-N 378.475 2.176 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)CN1C(=O)NC2(CCCCC2)C1=O 23652764 ATQCFJUVPPIOFD-UHFFFAOYSA-N 386.496 2.167 10 40 GECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(Br)c1 13656441 VFKYIYPHAKFYBS-HRYODUOUSA-N 398.282 2.150 10 40 GECB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O 205739338 LDNLERURYAEGDG-RVDMUPIBSA-N 376.434 2.123 10 40 GECB COc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 408761216 CMEOPWFVXSZDNO-GDNBJRDFSA-N 383.385 2.435 10 40 GECB COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 4608152 XRNLZYUWZZSUTM-XNTDXEJSSA-N 397.456 2.137 10 40 GECB COc1ccc(CN2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)c(O)c1 72347478 NSELWRAKBWRQKV-AWEZNQCLSA-N 384.480 2.279 10 40 GECB CCOc1cc(/C=C2\C(=O)NC(=S)N(CC)C2=O)c(Br)cc1O 409390998 GPXBKGGGQCNZCN-WEVVVXLNSA-N 399.266 2.200 10 40 GECB CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350341 CZULILIMOAWWJC-HXUWFJFHSA-N 380.492 2.109 10 40 GECB O=C(COC(=O)c1cc(Cl)c[nH]1)NCc1ccc(N2CCOCC2)c(F)c1 50826251 VEPANWSIHGDKPR-UHFFFAOYSA-N 395.818 2.117 10 40 GECB O=C1/C(=C/N[C@@H]2CCS(=O)(=O)C2)C(c2ccccc2)=NN1c1ccccc1 102623434 HLKWUVQQWFGRNC-APVMCDBPSA-N 381.457 2.098 10 40 GECB CCN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)SC1=S 408528654 GUQSMIANRWRVHG-WUXMJOGZSA-N 378.435 2.006 10 40 GECB COc1cc2nc3n(c(=O)c2cc1OC)CCN(Cc1ccccc1O)CC3 19550853 WPJVFPUVZJFOGX-UHFFFAOYSA-N 381.432 2.178 10 40 GECB COc1cccc(OC(=O)CSc2nc(-c3ccco3)nc3cc(=O)[nH]n23)c1 41078206 UPVXNGDMVQLBOI-UHFFFAOYSA-N 398.400 2.384 10 40 GECB COc1cc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)cc(OC)c1OC 15357257 WCAHFSNHSNCRPZ-LQGZHCLWSA-N 383.447 2.387 10 40 GECB CNS(=O)(=O)c1ccc(-n2c(CC(=O)O)cc3c2CC(C)(C)CC3=O)cc1 27817112 XZZZXWFFNUVILP-UHFFFAOYSA-N 390.461 2.168 10 40 GECB COc1ccc(N2CCN(CN3C(=O)N[C@](C)(c4ccccc4)C3=O)CC2)cc1 25748603 JQGZPUWKLPQXBL-JOCHJYFZSA-N 394.475 2.242 10 40 GECB COc1ccc(N2CCN(Cc3coc(O)c(CN4CCCC4)c3=O)CC2)cc1 101374680 MOZBBOBYYHEVDE-UHFFFAOYSA-N 399.491 2.272 10 40 GECB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3nnn[nH]3)N=C2C)o1 102653635 FNDTZAPFQFWNHX-MDWZMJQESA-N 395.335 2.183 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)NC2CC2)N2CCc3ccccc32)cc1 5350352 AOGLOBFYOGBBRD-OAQYLSRUSA-N 392.503 2.251 10 40 GECB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 6176113 VTAMAFBOESUVGT-PKVLTRFUSA-N 382.372 2.009 10 40 GECB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(=O)[nH][nH]c(=O)c2c1 12605997 KMTKAUDFQGMQFJ-UHFFFAOYSA-N 392.459 2.479 10 40 GECB COc1cccc(/C=C2\SC(=S)N(CCC(=O)N3CCOCC3)C2=O)c1 16769979 YCCVVHWQOQMUJW-QINSGFPZSA-N 392.502 2.145 10 40 GECB CCOc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1 2366139 ZKDVCORVFXZTEI-ZMTLZGASSA-N 383.516 2.474 10 40 GECB O=C1NC(=S)N(Cc2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(C(=O)O)cc1 6276562 MDNZROCOAKNSHW-OQLLNIDSSA-N 399.403 2.263 10 40 GECB CC(C)OC(=O)CN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 1276519 WMQQWAQILIXNQE-YPKPFQOOSA-N 376.459 2.186 10 40 GECB COc1cc(N2CCCC2)ccc1/C=C1/C(=O)NC(=O)N(c2cccnc2)C1=O 15013710 QGXQSKYBDKAICI-BOPFTXTBSA-N 392.415 2.357 10 40 GECB CN1CCN(C(=O)CCN2C(=O)/C(=C\c3ccccc3F)SC2=S)CC1 20226847 YYPIVDOHTASWAB-NTCAYCPXSA-N 393.509 2.191 10 40 GECB COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)C(=O)NC2=S)c(OC)c1 409095696 IIIWGWGUEDMXRJ-NTEUORMPSA-N 384.413 2.241 10 40 GECB COc1ccc(N2CCN(C(=O)c3cnc(-c4ccccc4)[nH]c3=O)CC2)cc1 19937291 IDNQTCKWUBODCJ-UHFFFAOYSA-N 390.443 2.408 10 40 GECB O=C1NN(c2ccccc2)C(=O)/C1=C1\C(=O)Nc2ccc(Br)cc21 19831009 HGCFBROYEGRIDV-YPKPFQOOSA-N 384.189 2.233 10 40 GECB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNC[C@@H]3CCCO3)c2oc1=O 20648748 PJZCTSZJYPNJSW-NSHDSACASA-N 395.839 2.445 10 40 GECB COc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc(Br)c1OC 59139232 VVYBZQITRSPVCV-UHFFFAOYSA-N 399.266 2.065 10 40 GECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)cc1 409092846 ZSNBQCYXQHLAKF-NBVRZTHBSA-N 377.400 2.190 10 40 GECB CCC[C@H](NC(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 7262893 PFXIIGIUEHKVLN-OQZOHAQUSA-N 378.475 2.257 10 40 GECB CN(C)c1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)cc1 55916450 KGVNXQIZIZPPMM-GOSISDBHSA-N 380.492 2.384 10 40 GECB Oc1ccccc1CN1CCC(O)(c2csc(CN3CCOCC3)n2)CC1 225468116 VHNMGCQVAIFCLH-UHFFFAOYSA-N 389.521 2.165 10 40 GECB biogenic,in-vitro Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 409002661 WBBZPWKKPPSWQA-UHFFFAOYSA-N 387.779 2.195 10 40 GECB Cc1ccc2c(c1)/C(=C1/SC(=S)N(NC(=O)c3ccncc3)C1=O)C(=O)N2 1797076 DTJABVKVEHHHQL-YPKPFQOOSA-N 396.453 2.259 10 40 GECB CN1CCN(CC(=O)N2N=C(c3ccsc3)C[C@@H]2c2ccccc2O)CC1 95115922 AYZIGLWKOCDPID-GOSISDBHSA-N 384.505 2.379 10 40 GECB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 4999650 AGJCTFUIJBWXKW-UEIJICEPSA-N 387.436 2.004 10 40 GECB O=C1COc2cc([N+](=O)[O-])c(N3CCC(NC(=O)c4ccccc4)CC3)cc2N1 79096308 PRMASYMBDSXOHR-UHFFFAOYSA-N 396.403 2.325 10 40 GECB O=[N+]([O-])c1ccc(O)c(CNCCCNCc2cc([N+](=O)[O-])ccc2O)c1 1706572 JBYAGBOEQJCZHI-UHFFFAOYSA-N 376.369 2.184 10 40 GECB COc1ccc(C(=O)NCC(=O)NCc2ccc(N3CCCC3)cc2)cc1OC 32914693 MZUHBLIDSOEAOG-UHFFFAOYSA-N 397.475 2.350 10 40 GECB O=C1N=C(O)/C(=C\c2nc(-c3cccc([N+](=O)[O-])c3)n3ccccc23)C(=O)N1 956909 TWOOOLKOJBHIMU-UHFFFAOYSA-N 377.316 2.499 10 40 GECB COc1ccc(OC)c(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c1 2368089 PGFUXZXHEWPFMP-GYBQTFJISA-N 399.515 2.092 10 40 GECB COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Cl)c1O 12338892 BARRCDBLZHTYCF-SDQBBNPISA-N 388.763 2.426 10 40 GECB c1cc(N2CCCC2)ccc1CN1CCC[C@H](c2nnc3n2CCNCC3)C1 19709211 RKRXBZGXUPHRNO-IBGZPJMESA-N 380.540 2.404 10 40 GECB O=C(O)[C@@H]1SCCN1S(=O)(=O)c1ccc(/N=N/N2CCCCC2)cc1 866384 DXIWQQDLNYUZKV-VUAZUDAXSA-N 384.483 2.319 10 40 GECB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1 58865823 MXEOTWSMKQRNFI-UHFFFAOYSA-N 378.293 2.352 10 40 GECB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2cccc([N+](=O)[O-])c2)C1=O 408528749 IDXWPANXRSBDOP-JLHYYAGUSA-N 382.332 2.182 10 40 GECB CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 2595344 QVAREADLUPGSCD-NTCAYCPXSA-N 378.860 2.128 10 40 GECB COC(=O)c1ccccc1/N=N/N(C)C[C@@H]1O[C@@H]2OC(C)(C)O[C@H]2[C@@H]1OC 104217261 FDTNEIWEYAWGOA-SNUZWEAWSA-N 379.413 2.295 10 40 GECB Cc1cc(C(=O)N2CCC(C(N)=O)CC2)c(C)n1-c1ccc2c(c1)OCCO2 28273700 LVORHYAALSQWQR-UHFFFAOYSA-N 383.448 2.203 10 40 GECB CN1CCN(Cc2ccccc2CNC(=O)NCc2ccc(N(C)C)cc2)CC1 32937686 RLACTBBAGGUPFV-UHFFFAOYSA-N 395.551 2.499 10 40 GECB O=S1(=O)CC[C@@H](N(Cc2cccs2)Cc2cc3c(cc2O)OCO3)C1 12943889 IHMVCSXUDBWPAD-CYBMUJFWSA-N 381.475 2.372 10 40 GECB CC(=O)[C@H](/N=N/c1ccccc1C(=O)O)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 100045253 YMFWVWDPPIWORA-RTDLDRDPSA-N 381.348 2.234 10 40 GECB CC(C)(C)C(=O)/C=c1\nc(O)/c(=C/c2ccc(N3CCOCC3)c(F)c2)s1 584906651 BDNGJCPBIDWHNV-UBTMQFKDSA-N 390.480 2.049 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc([N+](=O)[O-])cc3O)C2=O)c(C)c1 100958886 INAQDBZXANLILQ-LCYFTJDESA-N 396.359 2.496 10 40 GECB COC(=O)[C@@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 16206391 BGJIERCGDIFITP-SECBINFHSA-N 383.312 2.089 10 40 GECB O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(N2CCSCC2)cc1 48369192 NVUJTOCKJOISFQ-UHFFFAOYSA-N 394.500 2.266 10 40 GECB CC(=O)Nc1ccc(N/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 18128840 KFTRFYIMYZGVAB-YBEGLDIGSA-N 382.351 2.363 10 40 GECB CCCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350272 REUVQNCGQRKCAE-NRFANRHFSA-N 394.519 2.499 10 40 GECB O=C(c1cnccn1)N1Cc2cc(N3CCOCC3)ccc2[C@H]1c1cnco1 96260747 WNULLQUMUYALCP-IBGZPJMESA-N 377.404 2.047 10 40 GECB O=C1/C(=C/N[C@H]2CCS(=O)(=O)C2)C(c2ccccc2)=NN1c1ccccc1 102623436 HLKWUVQQWFGRNC-HZGBGQKMSA-N 381.457 2.098 10 40 GECB O=C(COC(=O)c1cccc2c1C(=O)c1ccccc1C2=O)NCC(F)(F)F 6427870 XJQFHNLGHAURAH-UHFFFAOYSA-N 391.301 2.297 10 40 GECB COc1ccc(CN2CCc3c(nc(N4CCCC[C@@H]4C)[nH]c3=O)C2)c(O)c1 12182640 MTAZUVVUWSZFOG-AWEZNQCLSA-N 384.480 2.421 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N(C)C)cc1 5340484 IXVNACDFTKIYLX-SFHVURJKSA-N 390.434 2.388 10 40 GECB COc1ccccc1C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589236 HBPZREQOMIJHMA-OAQYLSRUSA-N 396.535 2.480 10 40 GECB CN1C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)C(=O)NC1=S 408913429 UJSQRJPLLUXLEJ-MHWRWJLKSA-N 396.424 2.220 10 40 GECB COc1ccc(N/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c([N+](=O)[O-])c1 5611561 QRFXOWANQNEVSD-JLHYYAGUSA-N 382.332 2.182 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(NC(C)=O)cc3)C2=O)cc1 2302088 MRUSDWPCWDIKLE-BOPFTXTBSA-N 394.387 2.232 10 40 GECB CCOC(=O)c1c(C(C)C)csc1NC=C1C(=O)N(C)C(=O)N(C)C1=O 5510571 OPBLAJRAYZQQLE-UHFFFAOYSA-N 379.438 2.394 10 40 GECB COC(=O)c1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1 12363730 XLUQWNKHOKHJOD-RAXLEYEMSA-N 384.388 2.444 10 40 GECB O=C(CN1CCOCC1)Nc1cc(Cl)cc2c1C(=O)c1ccccc1C2=O 19940098 MODJLGWUVNDGLQ-UHFFFAOYSA-N 384.819 2.386 10 40 GECB COc1ccc(-n2nnnc2CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1 9570374 ZDPDQESXPTUFIO-UHFFFAOYSA-N 388.771 2.163 10 40 GECB COc1cc(/C=C2\SC(=S)N(NC(=O)c3ccncc3)C2=O)ccc1O 13655672 WUQSUTWAOKZXAK-ZROIWOOFSA-N 387.442 2.342 10 40 GECB CCN(CC)CCN/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 2301947 NGDISMVODASVRW-GHRIWEEISA-N 388.537 2.373 10 40 GECB COc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 26458796 BPWLGVCUWUIFQC-NGPAHMQLSA-N 399.515 2.092 10 40 GECB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3F)C1=O)OCO2 409069749 WDPQZXGKOYRYKH-WDZFZDKYSA-N 384.319 2.229 10 40 GECB COc1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3-n3cnnn3)CC2)cc1 44902056 LPBJOPFSAYOMEZ-UHFFFAOYSA-N 392.463 2.250 10 40 GECB CN1C(=O)/C(=C/c2ccccc2OCc2cccc(C(=O)O)c2)C(=O)NC1=S 408913003 JLVUDZGNKLZLNJ-XNTDXEJSSA-N 396.424 2.220 10 40 GECB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCOCC3)o2)C(=O)NC1=S 409250125 WDUXHTOVFAFHFD-NTCAYCPXSA-N 397.456 2.256 10 40 GECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)O)cc3)C2=O)c(OC)c1 1514476 NAOLPRRNKTWLBV-DHDCSXOGSA-N 396.355 2.068 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(N(C)C)c3)CC2)cc1 3555504 DHGIADGQHJBIAN-UHFFFAOYSA-N 397.475 2.267 10 40 GECB O=C1c2ccccc2C(=O)c2cc(S(=O)(=O)n3nnc4ccccc43)ccc21 4084296 YOUFEASEGOIVFP-UHFFFAOYSA-N 389.392 2.444 10 40 GECB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC[C@@H]1CCCO1 4736910 POFUZWMKXAEQGS-BRYHAGSVSA-N 375.400 2.134 10 40 GECB COc1ccc([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2cccc(F)c2)C1=O 408912293 FABHZMFDVOMZEP-RIYZIHGNSA-N 385.307 2.409 10 40 GECB COc1ccc2ccc(O)c(CN3CCN(C(=O)N4CCOCC4)CC3)c2c1 12914223 RRHSSLRXSOUTPP-UHFFFAOYSA-N 385.464 2.124 10 40 GECB O=C1N=C(S)N(C2CCCCC2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2 102519054 VOMHIAPWZUCGPO-GXDHUFHOSA-N 387.461 2.376 10 40 GECB CN(CCO)c1ccc(CN2CCc3c(O)nc(-c4ccccn4)nc3C2)cc1 19586138 ZFOYUKOMHOAPKP-UHFFFAOYSA-N 391.475 2.231 10 40 GECB COC(=O)c1ccc(Cl)c(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)c1 409000068 WYHXVCSJHKUERM-UHFFFAOYSA-N 390.804 2.301 10 40 GECB Cc1cc(O)c([C@@H](C(=O)OC(C)C)C(=O)C(F)(F)F)cc1NS(C)(=O)=O 11615808 UDDJHKJAHTYANE-GFCCVEGCSA-N 397.371 2.239 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OCC(=O)O)C2=O)cc1C 408859955 WBCMKZWFJQJRQS-MHWRWJLKSA-N 394.383 2.433 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3cccc(F)c3)CC2)cc1 5970703 ZZUGISVORNEDOF-UHFFFAOYSA-N 386.423 2.269 10 40 GECB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)c1 41374279 LUSZNRCNOCPIJB-UHFFFAOYSA-N 378.450 2.341 10 40 GECB NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)OCO4)cc2)C1 55916401 AHHHSUCHEKGHSP-INIZCTEOSA-N 381.432 2.047 10 40 GECB O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 5569771 PKPRYGGWLRXXBY-XGICHPGQSA-N 387.735 2.438 10 40 GECB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)NC1=NCCS1 4263553 VRQKRSPYKXSCBX-PKNBQFBNSA-N 381.504 2.480 10 40 GECB CCOc1cc(/C=C2/C(=N)N3N=C(N4CCCC4)SC3=NC2=O)ccc1O 41084977 IIWZXODNIJWDBQ-DTPIYVASSA-N 385.449 2.463 10 40 GECB CCOC(=O)CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 28048187 QVVQDIRFEUXEOY-YPKPFQOOSA-N 376.459 2.188 10 40 GECB C[C@H]1CN(c2nc(O)c3c(n2)CN(Cc2ccc(N(C)C)cc2)CC3)C[C@H](C)O1 72347251 GMHBFNLJBSZFEF-HOTGVXAUSA-N 397.523 2.420 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 408875219 HMNBPWCBFRNXEG-UHFFFAOYSA-N 383.385 2.088 10 40 GECB COc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 4993521 BPWLGVCUWUIFQC-ODYDIQAQSA-N 399.515 2.092 10 40 GECB Cc1[nH]c2ccccc2c1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O 20206042 PIEXWMINXZEQQG-JPEQSOJWSA-N 387.446 2.098 10 40 GECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 409103802 ZARVQVBGVIOWEW-XDUBLRSXSA-N 390.461 2.429 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N(CC(=O)N3CCOCC3)C2=O)cc1 4159124 IRECVNICUDKRFB-PTNGSMBKSA-N 392.502 2.145 10 40 GECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963848 XMKMVKBJGQSSNP-FQEVSTJZSA-N 396.491 2.045 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CC2)N2CCc3ccccc32)cc1 5350359 AOGLOBFYOGBBRD-NRFANRHFSA-N 392.503 2.251 10 40 GECB O=C(O)[C@@H](CO)N1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 5374223 OUPGMQIYDWZRLQ-JRZFIGEHSA-N 388.264 2.096 10 40 GECB C[C@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9187701 UYYSLHDRZXZIFF-XTCQQWIJSA-N 390.490 2.272 10 40 GECB O=C1c2ccccc2C(=O)c2c(O)c(S(=O)(=O)O)cc(Br)c21 4016166 XCFYQFDCLHYOQD-UHFFFAOYSA-N 383.175 2.177 10 40 GECB COc1cccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963940 GGOORPGKKGXKHX-FQEVSTJZSA-N 396.491 2.045 10 40 GECB COC(=O)c1sc(NCc2ccc(N3CCNC(=O)C3)cc2)nc1Cl 53561158 GEEVOYGKJREYJU-UHFFFAOYSA-N 380.857 2.131 10 40 GECB O=C(N/C=C1\C(=O)NC(=O)N(CCc2ccccc2)C1=O)Nc1ccccc1 408536287 VTNMEWBNYYLVLG-DTQAZKPQSA-N 378.388 2.013 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccc([N+](=O)[O-])cc1 9653573 RWLSUPHRODEUGA-UHFFFAOYSA-N 385.420 2.469 10 40 GECB COC(=O)c1cc2ccccc2c(CN2CCN(c3cnccn3)CC2)c1O 32899454 HLIZFUXYDHILPS-UHFFFAOYSA-N 378.432 2.444 10 40 GECB Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)NC(=O)NC2=O)cc1C 409262700 GLYWOUWEONQRNX-UHFFFAOYSA-N 393.399 2.070 10 40 GECB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])o1 5200436 IDKRSUVSJPUJCF-XFFZJAGNSA-N 378.138 2.412 10 40 GECB COc1cc(/C=C2/C(=N)N3N=C(N4CCCCC4)SC3=NC2=O)ccc1O 41084695 MBVFQFBHUQTQLU-DTPIYVASSA-N 385.449 2.463 10 40 GECB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCCCn1ccnc1 100778443 HESSWMWQAKVCBM-GHRIWEEISA-N 389.415 2.183 10 40 GECB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3ccc(O)nc3O)cc2)[C@H]1C 104124026 KRZMXNKHRGIJKW-ORRWVBNESA-N 393.425 2.072 10 40 GECB O=C(CN1C(=O)/C(=C/c2ccccc2F)SC1=S)NCCc1c[nH]cn1 5208513 LVMQNFFTYVTTLC-AUWJEWJLSA-N 390.465 2.109 10 40 GECB O=C1CN(c2ccc(CNC(=O)c3cccc(Br)c3)cc2)CCN1 32915687 DNPVBDGCBIWXGY-UHFFFAOYSA-N 388.265 2.315 10 40 GECB COc1cccc(/C=C2\SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1 4356825 OCXACWMMXKXENR-LCFDYFRESA-N 381.431 2.214 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 22664816 NDPSFKONSIHMDL-FQEVSTJZSA-N 398.463 2.464 10 40 GECB COC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O 33623183 ZEBIWRNCADTNHP-GDNBJRDFSA-N 386.791 2.353 10 40 GECB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)c1 6188760 DESHUXGDRNDPKN-LICLKQGHSA-N 394.383 2.433 10 40 GECB COC(=O)CC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1cccnc1 4999654 DBHVRDHMUHOTNO-ZHZULCJRSA-N 394.431 2.420 10 40 GECB O=c1/c(=C/c2ccc(Cl)cc2)sc2n1CN(c1ccc3c(c1)OCO3)CN=2 13751218 YYCZXIIOEBAIRQ-IDUWFGFVSA-N 399.859 2.176 10 40 GECB O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(O)c(Br)c1 409393998 UDDZEMYCQOGZEI-YRNVUSSQSA-N 388.177 2.216 10 40 GECB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1CCCN1CCOCC1 31769490 SVIYIUWJLMUZJV-WJDWOHSUSA-N 392.502 2.339 10 40 GECB CCCN1C(=O)/C(=C2\SC(=S)N(CC(=O)OC)C2=O)c2ccccc21 1281900 HFWJBNSKHQFZFN-YPKPFQOOSA-N 376.459 2.188 10 40 GECB O=C(O)CCNc1ccc(NCCC(=O)O)c2c1C(=O)c1ccccc1C2=O 5124200 PANBVVFPWHIMKB-UHFFFAOYSA-N 382.372 2.235 10 40 GECB COc1ccc(N2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)[nH]n3)CC2)cc1 95476832 ZUEHSSDIHXXFAB-UHFFFAOYSA-N 394.479 2.398 10 40 GECB O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 5348296 CSRRRALIRCYWSF-ODUNQGDFSA-N 390.486 2.354 10 40 GECB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\Nc1cccc(N2CCCC2)c1 408547005 ANULLARMWDBCPJ-ATVHPVEESA-N 380.404 2.454 10 40 GECB COc1ccc(N2CCN(C(=O)[C@@]34CC[C@](C)(C(=O)C3=O)C4(C)C)CC2)cc1 101420406 NUIUUWODTRAFGI-FGZHOGPDSA-N 384.476 2.308 10 40 GECB COc1ccccc1NC(=O)[C@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(C)=O 104124343 VUKISKOUVRLPQA-FVGNFYTDSA-N 390.421 2.023 10 40 GECB COc1cc(OC)c2c(c1)C(=O)N(C)C(=O)[C@@]21NN=C(c2ccc(C)cc2)S1 670427347 DQBGXNRRHCGJRT-HXUWFJFHSA-N 397.456 2.475 10 40 GECB COc1ccc(N2CCN(C(=O)CSc3nnc(C4CC4)n3C)CC2)cc1 4891273 DVCREVJSFXNEKT-UHFFFAOYSA-N 387.509 2.142 10 40 GECB COc1ccc(/C=C2/SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc1 15412019 UXRWDXOOYIKQTG-NTCAYCPXSA-N 394.518 2.391 10 40 GECB CC(C)CS(=O)(=O)C1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1 41085246 SLOVBKPWYHCMHN-FOVKKDFOSA-N 392.462 2.040 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3nccs3)N3CCCC3)ccc21 8964198 UCUWIXUFJNUXHP-KRWDZBQOSA-N 399.520 2.027 10 40 GECB COC(=O)CNC(=O)CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 11644870 HJQZYWQCYVULEY-OAHLLOKOSA-N 389.477 2.110 10 40 GECB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1CCCN1CCOCC1 31769492 SVIYIUWJLMUZJV-LFIBNONCSA-N 392.502 2.339 10 40 GECB N=C1/C(=C\c2ccc3c(c2)OCO3)C(=O)N=C2SC(c3cccnc3)=NN12 5046764 UEGURDFGPFKRMG-DKCODUPVSA-N 377.385 2.478 10 40 GECB O=C1/C(=C/c2ccncc2)SC(=S)N1NS(=O)(=O)c1ccccc1 5249815 YASIQVFCTGOITA-RAXLEYEMSA-N 377.472 2.176 10 40 GECB CN(C)c1ccc(CNC(=O)N2CCN(C(=O)c3ccc(O)cc3)CC2)cc1 40123033 MNOGLLVXJINTQN-UHFFFAOYSA-N 382.464 2.126 10 40 GECB O=C(NCc1ccc(N2CCSCC2)cc1)[C@@H]1CC(=O)N(Cc2ccco2)C1 48368340 LJGHWSBDIHYDFK-QGZVFWFLSA-N 399.516 2.498 10 40 GECB Cc1nn(CC(=O)NCc2ccc(N3CCSCC3)cc2)c(C)c1[N+](=O)[O-] 48375298 PXFBRAGQDNERIQ-UHFFFAOYSA-N 389.481 2.278 10 40 GECB CCN(CC)c1ccc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1Br 408593336 PHMYTAVFMDKIFZ-XYOKQWHBSA-N 396.241 2.273 10 40 GECB O=C(NC(=S)NC1=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]2C=C1)c1cccnc1 4908798 TWGYLTNQGGNAKE-DLBZAZTESA-N 389.436 2.451 10 40 GECB COC(=O)[C@H](C)Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1OC 33797480 BKVPINGHRKJDHL-HKJJFUAXSA-N 396.399 2.097 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)c3cccc(OC)c3)nnc2n1 4570536 FOUUTQLSJFVWRH-UHFFFAOYSA-N 387.469 2.367 10 40 GECB COc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)C(=O)NC2=S)cc1 4860522 KAKSQOWODGWUCM-ZROIWOOFSA-N 384.413 2.241 10 40 GECB CCOC(=O)c1ccc(N/C=C2\C(=O)NC(=S)N([C@H](C)CC)C2=O)cc1 6242916 SGHRDXXOMDUAQY-ZTMOJVSCSA-N 375.450 2.201 10 40 GECB CCN1CCN(C2=NC(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)S2)CC1 19842094 FFMGBFAOUFMXAH-VBKFSLOCSA-N 391.493 2.320 10 40 GECB COc1ccc(N2CCN([C@@H]3CC(=O)N(c4ccc(OC)cc4)C3=O)CC2)cc1 1481084 MBBYLDIFFVFXDM-HXUWFJFHSA-N 395.459 2.158 10 40 GECB O=C(O)COc1c(Cl)cc(/C=C2\C(=O)NC(=S)N=C2O)cc1Cl 2590957 OCUBQNATRSMHHF-UHFFFAOYSA-N 375.189 2.211 10 40 GECB COC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 33797479 BKVPINGHRKJDHL-WIOAZZGGSA-N 396.399 2.097 10 40 GECB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N/c3cccnc3O)cc2)[C@@H]1C 104123768 WVXJXUROWXOOES-LAOYKBPNSA-N 377.426 2.366 10 40 GECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409107115 UZOKLYOGZFIYAU-KWWJGWKXSA-N 390.461 2.429 10 40 GECB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1 408995019 KSAQYBDFURQDGI-BOPFTXTBSA-N 395.415 2.362 10 40 GECB CC1=C(C(=O)N2CCOCC2)[C@H](c2ccc(N(C)C)cc2)N(C)C(=S)N1C 5689689 RWMRHKVWKYHLRG-SFHVURJKSA-N 388.537 2.089 10 40 GECB COC(=O)c1ccc(C)c(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c1 408997637 SEFWGZJPBXOZIC-UHFFFAOYSA-N 397.456 2.103 10 40 GECB CC(C)[C@H](NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)C(=O)O 5374745 VRXLZFHVAWUGDH-RPHSKFLZSA-N 378.475 2.357 10 40 GECB COc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc(NC(C)=O)cc2)C1=O 2228277 FNJVABSASTUIJV-PTNGSMBKSA-N 394.387 2.232 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)c3ccc(OC)cc3)nnc2n1 637240 CJQDEKWIBOTPGH-UHFFFAOYSA-N 387.469 2.367 10 40 GECB CCOC(=O)COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 16182957 OJRCGXKVNOYIQH-UHFFFAOYSA-N 383.312 2.090 10 40 GECB O=C(c1cccs1)[C@@H](C(=O)C(F)(F)F)C1(O)C(=O)c2ccccc2C1=O 102440023 RLEPVAHMXNIUNG-NSHDSACASA-N 382.315 2.489 10 40 GECB C[C@H](Oc1ccc(N)cc1)C(=O)OCCOC(=O)[C@@H](C)Oc1ccc(N)cc1 114669430 IYYAIMHNNHKAFQ-OKILXGFUSA-N 388.420 2.172 10 40 GECB COc1cc(/C=C2/C(=O)NC(=O)N([C@@H]3C[C@H]4CC[C@H]3C4)C2=O)ccc1OC(C)=O 408538044 YPSDAHPFKGGBOE-YEESBOSGSA-N 398.415 2.271 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 4356842 HUBLCIGODYRRQY-HBZGRHIISA-N 381.431 2.214 10 40 GECB CN1CCC2(CC1)NC(=O)N(CN(C)Cc1ccc(N3CCCCC3)cc1)C2=O 8725907 DIQICUCRWVDRMK-UHFFFAOYSA-N 399.539 2.082 10 40 GECB COc1cc(NS(=O)(=O)c2cccc3nonc23)ccc1N1CCCC1=O 83923398 DHXMUOOLQHHBEU-UHFFFAOYSA-N 388.405 2.159 10 40 GECB COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc([N+](=O)[O-])c1O 38186558 OHXSGNWRGLAPPW-VZUCSPMQSA-N 387.304 2.404 10 40 GECB COc1ccc2c3c(n(CCOCCO)c(=O)c2c1OC)-c1ccccc1C3=O 604405976 VMQCUYFROFDPHF-UHFFFAOYSA-N 395.411 2.239 10 40 GECB biogenic COc1cc(N2CCCC2)c(OC)cc1CN1CCc2nc(C)[nH]c(=O)c2C1 19576540 ILMXCGSKRKXOAX-UHFFFAOYSA-N 384.480 2.254 10 40 GECB CN(Cc1ccc(N(C)C)cc1)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 42344191 UXXMOXKZSUAKDB-FQEVSTJZSA-N 392.569 2.102 10 40 GECB Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 4704646 WKPXMCLTUSSQER-UHFFFAOYSA-N 381.388 2.226 10 40 GECB CCOC(=O)c1c(NC(=O)C[C@@H]2SC(=O)NC2=O)sc2c1CCCC2 26770217 JPARSFMECHTNPL-JTQLQIEISA-N 382.463 2.484 10 40 GECB COc1ccc(N2CCN(C(=O)NCCCN3CCCCCC3=O)CC2)cc1 58370918 DIYYMFBJVDBIDN-UHFFFAOYSA-N 388.512 2.320 10 40 GECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OC 408804331 XQCUIHUJPNOFFK-XNTDXEJSSA-N 382.372 2.466 10 40 GECB COc1cc(N2CCOCC2)ccc1/C=c1\sc2nc3ccccc3n2c1=O 1103905 OQMUUWFILZVWOJ-UNOMPAQXSA-N 393.468 2.302 10 40 GECB Cc1ccc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)cc1C(=O)O 55679226 FVWGIVYZRHIVBM-UHFFFAOYSA-N 376.434 2.331 10 40 GECB COc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1OC 96930786 LHMDJJCJJRNYSD-FOWTUZBSSA-N 394.518 2.237 10 40 GECB CCN1C(=O)/C(=C/c2ccc(-c3ccccc3C(=O)OC)o2)C(=O)NC1=S 409389791 AIOVXNHVRWIBCF-GXDHUFHOSA-N 384.413 2.380 10 40 GECB COc1ccc(NN/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1 4852136 CZHUFVGWMOAFFB-GDNBJRDFSA-N 386.795 2.432 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C[C@@H](NC(N)=O)c1ccccc1 9975455 HMZPSYXHJHNAKM-HXUWFJFHSA-N 396.491 2.281 10 40 GECB Cc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 20207217 YZKLZNGAEQODIT-XWFJYDPRSA-N 376.463 2.395 10 40 GECB COc1ccc(N2CCN(C(=O)NCC(=O)Nc3ccccc3OC)CC2)cc1 72406427 XJSXKNFDMMNQPH-UHFFFAOYSA-N 398.463 2.174 10 40 GECB CC[C@@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374883 NTYITIUDCPZKDP-GMCKNXKJSA-N 378.475 2.257 10 40 GECB CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2O)CC1 20624308 LLRRRBNZYJKFGW-KRWDZBQOSA-N 384.505 2.379 10 40 GECB O=C1OC2(CCCC2)OC(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1 59489884 FNUFDIIBODJJQK-UHFFFAOYSA-N 388.376 2.185 10 40 GECB CN1CCN(CC(=O)N2N=C(c3ccsc3)C[C@H]2c2ccccc2O)CC1 95115921 AYZIGLWKOCDPID-SFHVURJKSA-N 384.505 2.379 10 40 GECB C[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1)C(=O)O 2289643 PUYWGECMOZMOFR-UXEDPAHQSA-N 398.346 2.344 10 40 GECB COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@@H](O)CO)c2c1 4428891 AEZQYPDALGTGLM-CYBMUJFWSA-N 375.856 2.405 10 40 GECB CC1=C(C(=O)N2CCOCC2)[C@@H](c2ccc(N(C)C)cc2)N(C)C(=S)N1C 5689690 RWMRHKVWKYHLRG-GOSISDBHSA-N 388.537 2.089 10 40 GECB CCOc1cc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)ccc1O 13618580 ADITYYFLLLZPID-ZEVOCZHWSA-N 399.515 2.179 10 40 GECB O=C(NC(=S)NC1=C[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C=C1)c1cccnc1 100871614 TWGYLTNQGGNAKE-IAGOWNOFSA-N 389.436 2.451 10 40 GECB Cc1cc(CN2C[C@H]3C[C@@H](O)CN3C[C@@H]2C)c(C)n1-c1ccc2c(c1)OCO2 19567558 RZUACRPDFPVODI-CWFSZBLJSA-N 383.492 2.462 10 40 GECB Cc1ccc(-n2c(C)cc(C(=O)CN3CCN(S(C)(=O)=O)CC3)c2C)cc1 24508215 ORSFDWNKPIHBJI-UHFFFAOYSA-N 389.521 2.162 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c(OC)c1 408803172 LZQMSANJMHKSLL-OVCLIPMQSA-N 397.343 2.278 10 40 GECB COC(=O)c1cccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c1C 409000954 ZFUFWBXWNJCLDN-YBEGLDIGSA-N 395.415 2.281 10 40 GECB COc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc([N+](=O)[O-])c(C)c2)C1=O 408533513 SUTHNMDWIYALQY-JLHYYAGUSA-N 396.359 2.491 10 40 GECB Cc1ccc(O)c(CN2CCC[C@@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)c1 19133450 ZGOLKTFHLROXNY-MRXNPFEDSA-N 384.480 2.000 10 40 GECB COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc2c1OCO2 408964031 FGIAIYHFHFRNCD-VGOFMYFVSA-N 380.356 2.399 10 40 GECB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1 13800346 AKQWBWJMQJTQQM-QINSGFPZSA-N 376.503 2.445 10 40 GECB CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(OC)cc2)CN=3)cc1 13800253 PROIOCIPYKWMGR-UNOMPAQXSA-N 395.484 2.201 10 40 GECB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc([N+](=O)[O-])o4)C(=O)N=C3S2)CC1 41084642 LNIBBWOGVQTRAK-ZWGDPFMXSA-N 388.409 2.496 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3cccc(OC)c3)CC2)cc1 5622187 LDGQEDYWJRHETE-UHFFFAOYSA-N 398.459 2.138 10 40 GECB COc1ccccc1NC(=O)[C@H](/N=N\c1ccc(S(N)(=O)=O)cc1)C(C)=O 104124338 VUKISKOUVRLPQA-MODMUFLJSA-N 390.421 2.023 10 40 GECB NS(=O)(=O)c1ccc(N/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 618254650 GELJBXWBZGOHGK-JYRVWZFOSA-N 395.487 2.241 10 40 GECB CCN(/C=C1\SC(=S)N(CCC(C)C)C1=O)[C@@H]1CCS(=O)(=O)C1 13682504 HITKKCQATIHJBQ-FNWMBBJUSA-N 376.569 2.243 10 40 GECB COc1ccc(N2CCN(CN3C(=O)C4(OCCO4)c4ccccc43)CC2)cc1 19874051 YZBYHMAPICIYPI-UHFFFAOYSA-N 395.459 2.021 10 40 GECB CC[C@@H](C)N1C(=O)/C(=C\NNC(=S)Nc2ccccc2)C(O)=NC1=S 38188368 PGTOACMXESJFEK-WJEYQPDNSA-N 377.495 2.244 10 40 GECB O=C(O)CN1C(=O)/C(=C\c2cc(Br)c(O)cc2O)SC1=S 408731954 NQAPPWUFJAABFO-XNWCZRBMSA-N 390.236 2.146 10 40 GECB Cc1ccc(OCCOc2cccc(C=C3C(=O)NC(=S)NC3=O)c2)cc1 5200667 FNQYIGFPSGMXRV-UHFFFAOYSA-N 382.441 2.367 10 40 GECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1cccc(Br)c1 13656444 VFKYIYPHAKFYBS-IAOKNECISA-N 398.282 2.150 10 40 GECB COc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CCOCC1 22733393 GYZAKIUAEPVEER-NRFANRHFSA-N 395.503 2.491 10 40 GECB COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O[C@@H](C)C(=O)O 6175323 VTAMAFBOESUVGT-YGRGUWMTSA-N 382.372 2.009 10 40 GECB CN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)NC1=S 408912371 QNRISUWCKARNFI-CLTKARDFSA-N 375.631 2.065 10 40 GECB O=C(O)[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S 5348294 CSRRRALIRCYWSF-JFBXQDQPSA-N 390.486 2.354 10 40 GECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@H]1CC(c2cccc(F)c2)=NO1 56199697 XEZHVHLBPBFLDU-HXUWFJFHSA-N 383.423 2.472 10 40 GECB Cc1ccc(C(=O)O)cc1-n1c(C)cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c1C 408994773 IYWLUDKGSFFFCN-NVNXTCNLSA-N 381.388 2.192 10 40 GECB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@@H]1CCCO1)c2[N+](=O)[O-] 5739002 IAIQAFBTXQDJIC-NSHDSACASA-N 380.356 2.279 10 40 GECB O=C(O)[C@H]1CCCCN1C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S 33588219 CSRRRALIRCYWSF-PCRWRXJSSA-N 390.486 2.354 10 40 GECB Cc1ccc(-n2c(C)ccc2C)c(C(=O)NCCCN(C)S(C)(=O)=O)c1 58155001 RZVAIBOKXQUTKB-UHFFFAOYSA-N 377.510 2.414 10 40 GECB COc1ccc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c([N+](=O)[O-])c1 6714902 WRMMFIBBPSSFQP-UHFFFAOYSA-N 386.364 2.474 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(C(C)=O)c3)CC2)cc1 51357152 KCKDAWOJZFUNLQ-UHFFFAOYSA-N 396.443 2.403 10 40 GECB O=C(c1cccs1)[C@H](C(=O)C(F)(F)F)C1(O)C(=O)c2ccccc2C1=O 102440025 RLEPVAHMXNIUNG-LLVKDONJSA-N 382.315 2.489 10 40 GECB CN1C(=O)/C(=C2/C=Cc3ccccc3N2CCCS(=O)(=O)O)SC1=S 100534833 WHVDUENHHFVPAH-BUHFOSPRSA-N 396.515 2.499 10 40 GECB COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1O[C@H](C)C(=O)O 108259704 VTAMAFBOESUVGT-QJMZJAKPSA-N 382.372 2.009 10 40 GECB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 1778873 MKUYEZWFBCLHNM-UKTHLTGXSA-N 388.430 2.480 10 40 GECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409125456 AKTBENVPJGBEQO-HGLKBHAMSA-N 394.424 2.260 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3cccc(OC)c3)CC2)cc1 3555475 XQLSTFSRMYOHPU-UHFFFAOYSA-N 384.432 2.209 10 40 GECB COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3OC)C2=O)c(OC)c1 14920078 RTJXDAYCEHMURG-UVTDQMKNSA-N 382.372 2.379 10 40 GECB CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)OC 409405631 IGGRCUHKWYEZHV-WJDWOHSUSA-N 396.399 2.099 10 40 GECB COCCC(=O)N1CCC(CN2CCCN(c3ccc(OC)cc3)CC2)CC1 72338549 CKECZXOWBWILOT-UHFFFAOYSA-N 389.540 2.482 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(F)cc2F)N(C)C)cc1 5340481 IXVNACDFTKIYLX-GOSISDBHSA-N 390.434 2.388 10 40 GECB O=C(O)CCNC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 12032599 GAYPQPYZQBFDNW-CUJDEGIUSA-N 390.486 2.425 10 40 GECB COc1cc(N2CCOCC2)ccc1/C=c1/sc2nc3ccccc3n2c1=O 15013650 OQMUUWFILZVWOJ-XDHOZWIPSA-N 393.468 2.302 10 40 GECB COc1ccc(-n2c(C)cc(C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)c2C)cc1 23183376 TYRHFEDAVPAFEX-MRXNPFEDSA-N 376.478 2.362 10 40 GECB CCOc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)c1 408904400 IXUCBBGLKYHZMJ-RIYZIHGNSA-N 397.343 2.366 10 40 GECB COc1cc(/C=C2\SC(=S)N(CCCN3CCOCC3)C2=O)ccc1O 17110091 MLTQJDHWXWXOEG-VBKFSLOCSA-N 394.518 2.324 10 40 GECB CCOc1ccc(O)c([C@@H]2NC(N)=Nc3nc4cc5c(cc4n32)OCCCO5)c1 8776427 OOEHTAKVZPAYSN-GOSISDBHSA-N 395.419 2.398 10 40 GECB C[C@H](NC(=O)Cn1nnc(-c2ccccc2)n1)c1ccc(N2CCOCC2)cc1 19717815 IFLJGMWKWWZEHH-INIZCTEOSA-N 392.463 2.054 10 40 GECB COCCn1nnnc1[C@@H](CC(C)C)N1CCN(c2ccc(OC)cc2)CC1 57670107 MXOQVSZHHJEEAX-LJQANCHMSA-N 388.516 2.238 10 40 GECB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3cccnc3O)cc2)[C@H]1C 104123775 WVXJXUROWXOOES-JPDNBTAHSA-N 377.426 2.366 10 40 GECB COc1cc(/C=C2\SC(=S)N(CCCC(=O)O)C2=O)cc(OC)c1O 7166598 JTQGAHUVWOQWPC-WQLSENKSSA-N 383.447 2.475 10 40 GECB CC(C)N1C(=O)NC(=O)/C(=C\NCCC2CCN(Cc3ccccc3)CC2)C1=O 20623393 VVIODLNTXDLYBP-XMHGGMMESA-N 398.507 2.249 10 40 GECB CCn1ccc2ccn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)c(=O)c21 78879559 RKZNUJJYBSZJFC-UHFFFAOYSA-N 394.475 2.180 10 40 GECB CC1=NN(c2cccc([N+](=O)[O-])c2)C(=O)[C@H]1Sc1nnnn1-c1ccccc1 102085513 ABBLQNFYNFVEPW-HNNXBMFYSA-N 395.404 2.454 10 40 GECB COc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(F)cc3)C1=O)OCO2 408962026 FQWGIDAMSYBCJR-AWNIVKPZSA-N 384.319 2.229 10 40 GECB Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c(C)n1C 4740058 NRPGORHCDBAHOG-OQLLNIDSSA-N 383.429 2.171 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(F)ccc3F)CC2)cc1 57472312 SRXQIOXOQXRTPW-UHFFFAOYSA-N 390.386 2.479 10 40 GECB COc1ccc(N2CCN(S(=O)(=O)N3CCc4ccccc4C3)CC2)cc1 58358241 AQQFQKLUIDDWBV-UHFFFAOYSA-N 387.505 2.120 10 40 GECB CCc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc([N+](=O)[O-])cc2O)C1=O 408530821 MTFFNXKREXVBGK-JLHYYAGUSA-N 396.359 2.442 10 40 GECB COc1ccc(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)cc1OC 4362569 XTVAWHGNKOQMAG-UHFFFAOYSA-N 383.492 2.315 10 40 GECB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)NCCCn1ccnc1 5209056 YJEDDMOJWGKPOQ-LCYFTJDESA-N 392.531 2.352 10 40 GECB COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(c4ncccn4)C3)CC2)cc1 5986255 XMLPQNNTDDCTQJ-QGZVFWFLSA-N 381.480 2.050 10 40 GECB C[C@H](Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)C(=O)O 19877613 BBDJDZJPXQUAJO-IEMQHYRPSA-N 396.424 2.370 10 40 GECB CCOC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 35128897 JGEZTJYEWBSNHQ-VVTMIQRTSA-N 380.400 2.478 10 40 GECB CC(=O)Nc1ccc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc1 96935891 PRGIVHVFOOCKCO-FOWTUZBSSA-N 391.518 2.178 10 40 GECB COc1cc2c(cc1/C=C1\C(=O)N=C(O)N(c3cccc(F)c3)C1=O)OCO2 1274698 ZTHMTWVDOFDVOM-WLRTZDKTSA-N 384.319 2.434 10 40 GECB COc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 4330336 VQHNXJFRMBCFQD-LJQANCHMSA-N 384.480 2.119 10 40 GECB CC[C@H]1SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 16789967 MIAXGIMTPLMZEU-OAHLLOKOSA-N 377.535 2.364 10 40 GECB COc1ccc(-n2nnnc2CNC(=O)Nc2ccc(OC)c(OC)c2)cc1 9571358 NJYPNCFEIXWHSM-UHFFFAOYSA-N 384.396 2.010 10 40 GECB CC(=O)Nc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1 27924361 WPXJUHCGPFBWNH-UHFFFAOYSA-N 379.463 2.095 10 40 GECB CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4ccc(F)cc4)CC3)nc12 103246345 BSYHRXFJDWWKOS-UHFFFAOYSA-N 399.426 2.073 10 40 GECB COCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)C(C(=O)OC)=C1C 2300066 AAMRZVJDVFHDSC-ZROIWOOFSA-N 391.420 2.031 10 40 GECB biogenic,in-vitro CCNc1nc(NCC)n2c(SCC(=O)NCC3CCCCC3)nnc2n1 3286106 WKWVLMGWVVHIRO-UHFFFAOYSA-N 392.533 2.172 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCCC3)N(C)C)ccc21 8963942 HOFBTSHXZFAJTF-FQEVSTJZSA-N 386.540 2.237 10 40 GECB COc1ccc(N2CCN(C(=O)C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 10327916 SOJFJCXJERWKDP-UHFFFAOYSA-N 398.419 2.199 10 40 GECB CC(C)CNC(=O)c1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O 12544839 RDMBHJJFVAFVSL-UHFFFAOYSA-N 393.421 2.487 10 40 GECB CN1CCCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)N(C)C)ccc21 13008553 ITOIXPDMWCEZGR-FQEVSTJZSA-N 386.540 2.237 10 40 GECB COc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 408763088 HJNZNHVGEKGVGK-GDNBJRDFSA-N 383.385 2.435 10 40 GECB COc1cc(NS(=O)(=O)c2cccc3nsnc23)c(C(=O)O)cc1OC 3617979 QJZSQKBHMOJUDH-UHFFFAOYSA-N 395.418 2.208 10 40 GECB COc1ccc(OC)c(N/C=C2/C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 5112041 OYPIOUMSJHRHCA-PTNGSMBKSA-N 397.456 2.443 10 40 GECB O=C(NCc1ccc(N2CCOCC2)cc1)c1cccc(CN2CCOCC2)c1 22518400 YETGWACJMQZWIG-UHFFFAOYSA-N 395.503 2.285 10 40 GECB COc1cccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)c1 32708006 OCXACWMMXKXENR-SERMCNLOSA-N 381.431 2.214 10 40 GECB Cc1ccc(OCCN/C=C2\C(=O)NC(=S)N(Cc3ccccc3)C2=O)cc1 2208099 RKBKYOISJUOKNK-QGOAFFKASA-N 395.484 2.291 10 40 GECB COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc(OC)c1O 4558002 YJJFLRZVFLZEPC-MDWZMJQESA-N 384.413 2.241 10 40 GECB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C 32759467 CBXGCSNYXLQUCP-UHFFFAOYSA-N 389.477 2.408 10 40 GECB CCOC(=O)C1=C(N)Oc2c(c(=O)[nH]c3ccccc23)[C@@H]1c1ccc(O)c(O)c1 14608301 ZZIPKIHTIMKDFY-HNNXBMFYSA-N 394.383 2.197 10 40 GECB CCOc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 27530393 HUBLCIGODYRRQY-WBOGTDJTSA-N 381.431 2.214 10 40 GECB COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1cccc(C)c1 113834846 LWVYJOOOMDOXQW-UHFFFAOYSA-N 382.441 2.497 10 40 GECB COc1ccc(/C=C2\SC(=S)N(CCC(=O)OCCN(C)C)C2=O)cc1 1750261 UXRWDXOOYIKQTG-QINSGFPZSA-N 394.518 2.391 10 40 GECB Cc1ccccc1N1C(=O)/C(=C\NCc2ccc3c(c2)OCO3)C(=O)NC1=S 5928076 IQFZZNLXEHYUFI-UVTDQMKNSA-N 395.440 2.145 10 40 GECB COc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)C(C)C)cc1 4971154 JGKHFAOAOGODCO-XWFJYDPRSA-N 392.462 2.095 10 40 GECB Cc1c(CC(=O)NCc2ccc3c(c2)OCO3)c(=O)oc2c(O)c(O)ccc12 6623857 BZZINWQIGGJXAL-UHFFFAOYSA-N 383.356 2.100 10 40 GECB biogenic CCCN1C(=O)/C(=C/N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)SC1=S 217527162 KHJKPVXTKZPIHE-BUJPYTEUSA-N 375.519 2.379 10 40 GECB Cn1cccc1/C=C1/SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 1758327 WRQWHLNFRYPROV-UKTHLTGXSA-N 388.430 2.480 10 40 GECB CN(C)c1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)cc1 5340579 HBZKJTLQZNUPQH-HXUWFJFHSA-N 397.523 2.176 10 40 GECB O=C(CSc1nc2ccccc2c(=O)n1CCCO)c1ccc(O)c(O)c1 23939704 FYFWTGXRRPIAIW-UHFFFAOYSA-N 386.429 2.165 10 40 GECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 409135100 PTKTWNNHWHXZNL-FOWTUZBSSA-N 395.390 2.329 10 40 GECB COc1cccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1OC 4993660 LZEPYXDDHUOUAX-LFTLCWSBSA-N 399.515 2.092 10 40 GECB COC(=O)c1cccc(N/C=C2\C(=O)NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 5981647 TUKGHZJZSMABSD-MHWRWJLKSA-N 397.362 2.187 10 40 GECB Cc1c(CC(=O)N2CCN(c3ccccc3)CC2)c(=O)oc2c(O)c(O)ccc12 6660365 JFXUQEFWXOHXEG-UHFFFAOYSA-N 394.427 2.404 10 40 GECB O=C1N=C(O)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\NN1CCCCC1 17162410 XBXAOUCTQWGBIO-RAXLEYEMSA-N 382.342 2.367 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O 2349304 RYEKZNNVWFINGR-QINSGFPZSA-N 378.860 2.128 10 40 GECB COc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 12577089 FWOUXDGZSTXGPT-HQQGHWSLSA-N 381.431 2.214 10 40 GECB CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)ccc1O 13425320 JQKOPTXJJMPRIZ-NTUHNPAUSA-N 396.355 2.186 10 40 GECB COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O 4748611 GTHSLRNUCQTZTQ-WOJGMQOQSA-N 396.447 2.226 10 40 GECB CN1CCN(CC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2O)CC1 20624305 LLRRRBNZYJKFGW-QGZVFWFLSA-N 384.505 2.379 10 40 GECB C[C@@H]1NO[C@H](NS(=O)(=O)c2ccc(/N=N\c3ccc(O)nc3O)cc2)[C@@H]1C 104124020 KRZMXNKHRGIJKW-WOVPFFKNSA-N 393.425 2.072 10 40 GECB COc1ccc(/C=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)cc1OC 1831434 VZQURJHSKABJOG-GYBQTFJISA-N 399.515 2.092 10 40 GECB C[C@@H]1Cc2cc(/C=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 5201280 BRDLDJIYNJREKU-KHMKNBLBSA-N 395.527 2.398 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N(C)C)ccc21 8963918 LOOVQEXAVAFVEF-IBGZPJMESA-N 384.455 2.176 10 40 GECB CC[C@H](NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S)C(=O)O 5374880 NTYITIUDCPZKDP-CVCOIXHCSA-N 378.475 2.257 10 40 GECB CN(C)CCNC=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O 19996448 RYOGNPIZHXOZMM-UHFFFAOYSA-N 394.500 2.386 10 40 GECB CC(C)OC(=O)COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 35177627 BQWGVVNEFPTDJJ-PDGQHHTCSA-N 380.400 2.478 10 40 GECB CC(=O)OC(OC(C)=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 3844575 SIYMDRCJJBFZSH-UHFFFAOYSA-N 383.312 2.495 10 40 GECB biogenic CCC[C@@H](NC(=O)CN1C(=O)/C(=C/c2ccccc2)SC1=S)C(=O)O 5374834 PFXIIGIUEHKVLN-FNWMBBJUSA-N 378.475 2.257 10 40 GECB O=C(O)CNC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 16805905 MJPRDPOGOVKHDX-XOHVCTMJSA-N 376.459 2.035 10 40 GECB CC(C)c1ccc(/C=C2/C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 41077737 MNHSOUXSUAZOJH-XWFJYDPRSA-N 376.463 2.431 10 40 GECB COc1cccc(CN2CCC(C(=O)NCC(C)(C)CN(C)C)CC2)c1O 4552810 HJLHOMKPDJNUHR-UHFFFAOYSA-N 377.529 2.317 10 40 GECB CNc1ccccc1C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1 4826382 HIPBGCPWCWSPBD-UHFFFAOYSA-N 383.448 2.243 10 40 GECB O=C(NCc1cc([N+](=O)[O-])ccc1O)c1nc(N2CCCC2)ncc1Cl 48165093 AJNSCHSGNRQSKY-UHFFFAOYSA-N 377.788 2.274 10 40 GECB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c1C 408912651 RKSBYKSQFUTETK-OQLLNIDSSA-N 397.456 2.357 10 40 GECB COc1cc(Cl)c(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC 409394057 VALSLZWAEIFGPN-KPKJPENVSA-N 387.779 2.419 10 40 GECB O=C(NCc1ccc(N2CCOCC2)cc1)[C@@H]1CC(c2cccc(F)c2)=NO1 56199695 XEZHVHLBPBFLDU-FQEVSTJZSA-N 383.423 2.472 10 40 GECB CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccccc1 4182125 ONYVKRFKTXPPIH-UHFFFAOYSA-N 396.399 2.293 10 40 GECB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6639125 WUVAYJATHSSZNB-UHFFFAOYSA-N 390.461 2.268 10 40 GECB CCOCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 4999631 AVCNKMULZVPRMM-AQTBWJFISA-N 377.416 2.382 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCNC(=O)c1ccsc1 12609057 ZROHYPMCAPOMMW-UHFFFAOYSA-N 387.505 2.363 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)COc1ccccc1[N+](=O)[O-] 12743958 KPGLDWKURAAIPR-UHFFFAOYSA-N 385.420 2.469 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2nc3ccccc3[nH]2)cc1 408760227 UTODLOXOUAMXEB-UHFFFAOYSA-N 378.413 2.056 10 40 GECB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(C)cc32)SC1=S 1809478 DRODIGCXIDKDPS-YPKPFQOOSA-N 376.459 2.472 10 40 GECB NC1CCN(C(=O)c2cnn3c(O)cc(CCc4ccc(Cl)cc4)nc23)CC1 257273904 NIRRTLBGYZGTQH-UHFFFAOYSA-N 399.882 2.437 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)NC(=O)N(c2ccccc2Cl)C1=O 2399388 WJJCCEMACOCHSF-SEYXRHQNSA-N 378.860 2.128 10 40 GECB CCc1nnc(N/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)s1 13564313 RDPGNFWHLLQSMO-YFHOEESVSA-N 377.813 2.333 10 40 GECB C[C@H]1C[C@H]1C(=O)OCC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)c(F)c1 107339367 HXDRGCOXMJIFCR-DSJMHWKBSA-N 378.444 2.255 10 40 GECB COc1ccc(N2CCN(C(=O)COc3cc(OC)cc(OC)c3)CC2)cc1 218888286 XKUJUHGSJYHIOE-UHFFFAOYSA-N 386.448 2.440 10 40 GECB NC(=O)COc1cccc(CN2CCCN(c3ccc4c(c3)OCCO4)CC2)c1 12143998 UYCABYDKQZGLLY-UHFFFAOYSA-N 397.475 2.034 10 40 GECB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCS(=O)(=O)O)C3=O)ccc2O1 2232553 NZABWYPZUVESCR-TVNQGELYSA-N 385.488 2.099 10 40 GECB O=C(O)[C@@H]1CCCCN1C(=O)CN1C(=O)/C(=C\c2ccccc2)SC1=S 33588218 CSRRRALIRCYWSF-LFGHMXSPSA-N 390.486 2.354 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCS(=O)(=O)C1CCCC1 40121004 BWIJIZHQUVYJAH-UHFFFAOYSA-N 394.537 2.229 10 40 GECB CC(=C/c1ccccc1)/C=C1/SC(=S)N(C=C2C(=O)NC(=O)NC2=O)C1=O 5502706 OSEJWEDHCMQAEQ-DOLWDEDMSA-N 399.453 2.084 10 40 GECB O=S(=O)(c1cccs1)N1CCN(Cc2cc3c(cc2O)CCC3)CC1 35684869 ATJLNUOWSJGQGF-UHFFFAOYSA-N 378.519 2.449 10 40 GECB COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)c1 22733407 UGARHPCUDZKBNK-JOCHJYFZSA-N 395.503 2.491 10 40 GECB CC[C@]1(C(=O)O)N[C@H](c2ccccc2O)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 13139992 NTAYQQFNWIOEMY-FBAVSBLXSA-N 394.427 2.071 10 40 GECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1ccc(OC)cc1OC 13551137 QYVFVJZTLHWMIJ-WJDWOHSUSA-N 375.421 2.413 10 40 GECB O=C(O)C[C@@H](C(=O)O)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 3641692 BEZOCJJRCCRLAY-FIJZOYEMSA-N 376.415 2.297 10 40 GECB CC(=O)[C@@]1(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)CCOC1=O 43443244 WZGSRWZGMUIMAK-JLUOLNIDSA-N 388.405 2.241 10 40 GECB COc1cc(/C=C2/SC(N3CCOCC3)=NC2=O)cc(Br)c1O 2421281 KFEJDAAJKNGLHJ-XYOKQWHBSA-N 399.266 2.466 10 40 GECB CN(CC(=O)NCc1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 223962686 VYUFEABPBCABMZ-UHFFFAOYSA-N 387.505 2.224 10 40 GECB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)NCCCn1ccnc1 28296911 NMDFCEVOIFXXQE-SDNWHVSQSA-N 390.490 2.274 10 40 GECB O=C(Cn1c(=O)cnc2ccccc21)NCc1ccc(N2CCSCC2)cc1 48375105 NKRROVCTRKNLRA-UHFFFAOYSA-N 394.500 2.266 10 40 GECB CCN(CC)c1ccc(CNC(=O)CCN2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 224470176 PRXKLVZMUKFOQO-KDURUIRLSA-N 383.492 2.490 10 40 GECB O=C(O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 408591629 IWKINSWTOKLILG-SDQBBNPISA-N 390.735 2.276 10 40 GECB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1CCCN1CCOCC1 13228181 ZBVVWVMNCJVREP-QINSGFPZSA-N 388.518 2.486 10 40 GECB CC(C)CNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CCCCC1 13008073 DTIADHJRBSJXEH-HXUWFJFHSA-N 386.540 2.094 10 40 GECB O=C(NCc1ccc(N2CCOCC2)cc1C(F)(F)F)c1cccc[n+]1[O-] 54017858 IXFPYVIJSVJKHM-UHFFFAOYSA-N 381.354 2.105 10 40 GECB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccccc3OCC(=O)O)C2=O)c1 4815221 FLLZYBZADVFSOX-GDNBJRDFSA-N 380.356 2.125 10 40 GECB O=C(NN1C(=O)/C(=C/c2ccc3c(c2)OCCO3)SC1=S)c1ccncc1 10232934 NYFYTELPUOUOMJ-GDNBJRDFSA-N 399.453 2.399 10 40 GECB COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1NC(C)=O 17333469 TWEIYTJWZHNCLL-UHFFFAOYSA-N 377.466 2.198 10 40 GECB c1cc(N2CCCC2)ccc1CN1CCC[C@@H](c2nnc3n2CCNCC3)C1 19709210 RKRXBZGXUPHRNO-LJQANCHMSA-N 380.540 2.404 10 40 GECB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(C)c2)C1=O 409107116 UZOKLYOGZFIYAU-XDUBLRSXSA-N 390.461 2.429 10 40 GECB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N(CC)CCO)C2=O)cc1 27530563 WORXTCURMABDTH-RVDMUPIBSA-N 394.518 2.127 10 40 GECB O=C1NN(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCC[C@H]12 102788231 LMJHUJBYIRFMLE-PXNSSMCTSA-N 378.388 2.184 10 40 GECB CN1C(=O)/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)NC1=S 408915816 ZKYHHDHKUHCMQG-XNTDXEJSSA-N 397.412 2.430 10 40 GECB Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)NC(=O)NC3=O)c2)cc1C 409007912 RRFNAGMQMAFVOL-UHFFFAOYSA-N 393.399 2.070 10 40 GECB CN(C)S(=O)(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2 604404940 MIEXDFGEZZJMPI-UHFFFAOYSA-N 382.441 2.104 10 40 GECB biogenic C[C@@H](C(=O)NCS(=O)(=O)O)N(C)c1ccc(OCc2ccccc2F)cc1 1570005654 BQDKLBDGZFMMQY-ZDUSSCGKSA-N 396.440 2.191 10 40 GECB CC[C@@H]1SC(=S)N(CCC(=O)N2CCN(c3ccccc3)CC2)C1=O 16789965 MIAXGIMTPLMZEU-HNNXBMFYSA-N 377.535 2.364 10 40 GECB COc1ccc(N/C=C2/C(=O)N([C@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 97514676 QRXFMRJHUBGTES-OXBCTQFSSA-N 383.857 2.050 10 40 GECB COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O 409396412 YEHZSSJVKCRRAF-SFQUDFHCSA-N 392.415 2.357 10 40 GECB COc1ccc(N(CCC(N)=O)Cc2cc(=O)n3cc(Cl)ccc3n2)cc1 22012841 KTGDYTJUXNVYFF-UHFFFAOYSA-N 386.839 2.239 10 40 GECB COC(=O)c1sccc1NC(=O)CN1CCN(c2ccc(OC)cc2)CC1 71775384 IWOVZXHOSOJNEH-UHFFFAOYSA-N 389.477 2.304 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(C)CC3)C2=O)cc1 19618514 LLYNLQDHLONHOO-DTQAZKPQSA-N 389.546 2.360 10 40 GECB Cc1ccc(C)n1-c1ccc(C(=O)N2CCN(CC(=O)N3CCCC3)CC2)cc1 12595283 TVKJIJLYNJRWDX-UHFFFAOYSA-N 394.519 2.474 10 40 GECB COc1ccc(N2CCN(C(=O)CC3(Cn4cnnn4)CCCCC3)CC2)cc1 79479763 BFAJNCCUTDBVTF-UHFFFAOYSA-N 398.511 2.371 10 40 GECB CN(CCO)c1ccc(CN2CCc3c(O)nc(-c4cccnc4)nc3C2)cc1 19586140 UHASKEKBVQAQOM-UHFFFAOYSA-N 391.475 2.231 10 40 GECB COc1ccc(CNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)cc1OC 4089226 VYTACCOOIPASHE-UHFFFAOYSA-N 399.399 2.389 10 40 GECB biogenic Nc1ccc(N2C(=O)c3cccc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)cc1 3045310 JJRLHOPOIJONPE-UHFFFAOYSA-N 383.385 2.052 10 40 GECB CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)N(C)C(=O)N(C)C3=O)c2C)cc1 4853873 ASVYDLGYBRVWKK-UHFFFAOYSA-N 395.415 2.453 10 40 GECB COCCN1C(=O)/C(=C\c2ccc(OC)c(OC)c2OC)C(C(=O)OC)=C1C 6348236 AVRHBAMQHREXCD-KAMYIIQDSA-N 391.420 2.031 10 40 GECB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\Nc1nonc1-c1ccccc1 5775537 RZBLCGRRFBQHOO-KAMYIIQDSA-N 375.344 2.315 10 40 GECB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCCN1CCCCC1 100792330 KXZAAMCDKQZGSV-OBGWFSINSA-N 392.459 2.382 10 40 GECB COC(=O)c1[nH]c2ccccc2c1/C=C1\SC(=S)N(CC(=O)O)C1=O 102731274 LZRRNNQKQHFDJQ-WDZFZDKYSA-N 376.415 2.240 10 40 GECB COc1cc(/C=C2\SC(=S)N(CCN3CCOCC3)C2=O)cc(OC)c1 12815622 SHLHVNBCURIFEZ-WJDWOHSUSA-N 394.518 2.237 10 40 GECB CC1CCC2(CC1)NC(=O)N(CC(=O)N(C)Cc1ccc(N(C)C)cc1)C2=O 7229295 PDMOOTAIJFLMCD-UHFFFAOYSA-N 386.496 2.212 10 40 GECB COc1ccccc1-c1nc2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2n1 2220174 CURRVXLJLVGOHH-SFQUDFHCSA-N 378.457 2.440 10 40 GECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2cc(OC)c(OC)c(OC)c2)SC1=S 1277029 FPHFAGJFIRHJGE-LMRAXHDRSA-N 397.474 2.475 10 40 GECB Oc1ccccc1CN1C[C@H](O)C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1 15674992 ZMKFSAZDJMQCIT-CABCVRRESA-N 381.388 2.479 10 40 GECB biogenic,in-vitro CN(C)c1ccc(Cn2c(=O)[nH]c3c(-c4ccccn4)nsc3c2=O)cc1 49410002 KJTBEVXPHGNGIE-UHFFFAOYSA-N 379.445 2.323 10 40 GECB CN1C(=O)C(=Cc2cc(Br)cc(Cl)c2O)C(=O)N(C)C1=S 59139223 GXXVUQUVMLFOBK-UHFFFAOYSA-N 389.658 2.407 10 40 GECB Cn1cc([C@H]2CC(c3ccccc3O)=NN2c2ccc(S(N)(=O)=O)cc2)cn1 95101222 HZPAWQRWNNSSSE-GOSISDBHSA-N 397.460 2.129 10 40 GECB COc1ccc(N2CCN(C(=O)COc3cc(F)ccc3[N+](=O)[O-])CC2)cc1 3555584 KVHSQYGFEWWNIZ-UHFFFAOYSA-N 389.383 2.470 10 40 GECB COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OC(C)=O 33766394 NAEXQTITUXGFES-DHDCSXOGSA-N 382.372 2.091 10 40 GECB CC(C)CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3ccc(F)cc3)C(=N)N21 4971139 XOVPZCRBOWAQSG-NOOFILGISA-N 394.453 2.473 10 40 GECB COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc(O)c(OC)c3)C2=O)c1 4808278 KIKWNTXCYZMILC-JYRVWZFOSA-N 398.371 2.084 10 40 GECB COc1ccc(N2CCN(C(=O)COc3ncnc4ccccc34)CC2)cc1 5939028 WAWQDHPNJPBZIM-UHFFFAOYSA-N 378.432 2.366 10 40 GECB NC(=O)COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1 223300947 SKHAISWEIGJXRM-UHFFFAOYSA-N 389.458 2.475 10 40 GECB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)c(C)c1 13893103 JDVLZTDNDAHTBN-YBEGLDIGSA-N 395.415 2.281 10 40 GECB CN(C)c1ccc(CN2CCC[C@H](c3cc(=O)nc(N4CCOCC4)[nH]3)C2)cc1 19584969 ZLCPTHLWVDKUSN-SFHVURJKSA-N 397.523 2.052 10 40 GECB CCOC(=O)c1ccc(N2NC(=O)/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1 1022768 LORMZRZBNYUZJN-LFIBNONCSA-N 396.399 2.342 10 40 GECB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])o1 3040835 IDKRSUVSJPUJCF-YRNVUSSQSA-N 378.138 2.412 10 40 GECB CC(=O)N1CCN(C2=NC(=O)/C(=C/c3cn[nH]c3-c3ccccc3)S2)CC1 5248504 MUIUWGXCLNBYIN-WJDWOHSUSA-N 381.461 2.211 10 40 GECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C\Nc1ccccc1Br 13654236 GPWNEDUQSJIQFB-HQQGHWSLSA-N 398.282 2.150 10 40 GECB O=C1NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(O)cc1O 910366 DFMYIYQSNNHFFR-NTUHNPAUSA-N 375.178 2.322 10 40 GECB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2cc(C)n(C)c2C)C1=O 4682580 HQZONBUXSBARND-MHWRWJLKSA-N 382.420 2.182 10 40 GECB CN(Cc1ccc(N2CCOCC2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1=O 32771853 IOWRDABBKKFVCY-OAQYLSRUSA-N 393.487 2.283 10 40 GECB CCN(CC)CCN/C=C1/C(=O)N=C(S)N(c2ccc(Cl)cc2)C1=O 103094395 QTYALHVAYNBHHX-KAMYIIQDSA-N 380.901 2.314 10 40 GECB Cc1ccc(NC(=O)c2cnn3c(O)cc(CCCN4CCOCC4)nc23)cc1 19210696 PVBYCYBKGLQZBA-UHFFFAOYSA-N 395.463 2.260 10 40 GECB COc1ccc(N2CCN(C(=O)[C@H]3CCCN(c4ncccn4)C3)CC2)cc1 5986258 XMLPQNNTDDCTQJ-KRWDZBQOSA-N 381.480 2.050 10 40 GECB C[C@H](Oc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1)C(=O)O 12381035 PUYWGECMOZMOFR-HKLRHMNMSA-N 398.346 2.344 10 40 GECB C[C@@H](Oc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1)C(=O)O 59678539 AFDSZSDXDXRXDY-LKBVRNOZSA-N 398.346 2.344 10 40 GECB COC(=O)[C@H](C)N1C(=O)/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)SC1=S 1809731 RXPJPTOSZWIRTP-VQLBTBKJSA-N 382.419 2.366 10 40 GECB COc1cc(/C=C2\SC(=S)NC2=O)cc(I)c1O 16195047 JHSDKYOJFXLYFH-YWEYNIOJSA-N 393.227 2.494 10 40 GECB COCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(c2ccccc2)CC1 22665368 JYBIZJABLICGLM-QFIPXVFZSA-N 396.535 2.379 10 40 GECB CCOc1cc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc([N+](=O)[O-])c1O 96237069 XECMKHRMRWCMDP-UHFFFAOYSA-N 393.421 2.078 10 40 GECB CN1C(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)NC1=S 408913635 VTYSYEWPHVLSFF-MHWRWJLKSA-N 397.412 2.430 10 40 GECB CCOC(=O)C1=C(C)N=c2sc(=C(C)C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 832626 XKRCKFGYMRLKNI-QGZVFWFLSA-N 399.516 2.226 10 40 GECB COC(=O)Cc1c(C)c2cc(Cl)c(O)c(CNC[C@H]3CCCO3)c2oc1=O 20648751 PJZCTSZJYPNJSW-LLVKDONJSA-N 395.839 2.445 10 40 GECB COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733184 UNZVYYOFVCRMET-JOCHJYFZSA-N 395.503 2.491 10 40 GECB COc1ccc(N2CCN(CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)CC2)cc1 25748598 JQGZPUWKLPQXBL-QFIPXVFZSA-N 394.475 2.242 10 40 GECB Cc1ccccc1N1C(=O)/C(=C/NCc2ccc3c(c2)OCO3)C(=O)NC1=S 101086053 IQFZZNLXEHYUFI-GXDHUFHOSA-N 395.440 2.145 10 40 GECB CCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9138076 AHECJRUWPJCBHC-HXUWFJFHSA-N 386.540 2.238 10 40 GECB COCCOc1ccc(CNC(=O)NCc2ccc(N(C)C)c(F)c2)cn1 58209785 JFWFDYUDPKMKTP-UHFFFAOYSA-N 376.432 2.311 10 40 GECB CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C\c1cc(OC)ccc1OC 100208340 ZREKWWMLGTVAMR-VBKFSLOCSA-N 375.421 2.413 10 40 GECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(Br)c1 101104000 VFKYIYPHAKFYBS-SJWLEHQBSA-N 398.282 2.150 10 40 GECB COc1ccc(N2CCN(C(=S)NC(=O)C(C)(C)C)CC2)c([N+](=O)[O-])c1 408624440 UEEIVVIQFFKBJD-UHFFFAOYSA-N 380.470 2.173 10 40 GECB Cc1c(C(=O)O)cccc1-n1c(C)cc(C=C2C(=O)NC(=S)NC2=O)c1C 4711756 ZQYKOOCNVGCRPK-UHFFFAOYSA-N 383.429 2.015 10 40 GECB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 27229637 RHFRWIJUHRWFQF-GXDHUFHOSA-N 393.515 2.428 10 40 GECB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/NNS(=O)(=O)c1ccc(C)cc1 38162153 SUXYATMDYSECDC-LDADJPATSA-N 384.461 2.393 10 40 GECB CN1C(=O)C(=Cc2cc(Br)c(N3CCCCC3)o2)C(=O)N(C)C1=O 408863830 REZDKGLZVBZVJN-UHFFFAOYSA-N 396.241 2.466 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 809291 SYFNAFOYNDUJIV-UHFFFAOYSA-N 376.777 2.213 10 40 GECB O=C(NC[C@H]1CCCO1)[C@@H]1Cc2ccccc2CN1Cc1ccc(O)c(O)c1 257173223 HBDJKZJIWVUJCN-MOPGFXCFSA-N 382.460 2.320 10 40 GECB CCOC(=O)c1cccc(NC=C2C(=O)N(CC)C(=S)N(CC)C2=O)c1 5557292 XBTUTFKKNJQLPV-UHFFFAOYSA-N 375.450 2.155 10 40 GECB O=C(O)CCN(CCC(=O)O)c1ccc(/C=C2/SC(S)=NC2=O)cc1 5933149 NABNHBIDWSHAER-FMIVXFBMSA-N 380.447 2.343 10 40 GECB C[C@@H](C(=O)NCCCn1ccnc1)N1C(=O)/C(=C/c2ccco2)SC1=S 9187700 UYYSLHDRZXZIFF-GVIGZQTCSA-N 390.490 2.272 10 40 GECB CN(CCn1cnc2ccsc2c1=O)Cc1ccc(N2CCOCC2)cc1 95962686 NZJUHWRPMPQYFA-UHFFFAOYSA-N 384.505 2.427 10 40 GECB CC(=O)Oc1ccc2occ(/C=C/C=C3/C(=O)NC(=S)N=C3O)c(=O)c2c1 2388635 GBBAICASWAYVCU-NSCUHMNNSA-N 384.369 2.029 10 40 GECB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)cc(OC)c1O 408810893 LLLDYZOZWAXZSM-LBPRGKRZSA-N 385.214 2.354 10 40 GECB O=C1/C(=C/c2ccccn2)SC(=S)N1NS(=O)(=O)c1ccccc1 5478376 NSADENOHRVDXBR-RAXLEYEMSA-N 377.472 2.176 10 40 GECB Cn1cccc1/C=C1\SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O 13769360 OQACHWZJCGNOQE-RAXLEYEMSA-N 379.488 2.120 10 40 GECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 408912970 IWTJMVPLOGMTDH-CXUHLZMHSA-N 398.346 2.044 10 40 GECB COC(=O)c1cccc(NCC(=O)N2CCN(c3ccc(OC)cc3)CC2)c1 52896165 HJQHRDFWDMQTJF-UHFFFAOYSA-N 383.448 2.243 10 40 GECB O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)NN1CCOCC1 1894824 UZKPIFJEFYOMST-ACCUITESSA-N 397.547 2.093 10 40 GECB CCn1cccc1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O 409071130 DUCONMREKRNKQU-GXDHUFHOSA-N 385.445 2.357 10 40 GECB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)c(F)c2)C1=O 409141265 HXTXVOVGSDCKSI-XNTDXEJSSA-N 394.424 2.262 10 40 GECB C/C(=C1\SC(=S)N(CCS(=O)(=O)O)C1=O)c1ccc([N+](=O)[O-])cc1 8821615 WNIWTIFOHSLVJJ-DHZHZOJOSA-N 388.448 2.074 10 40 GECB CCN1CCC(NC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CC1 58168504 CGMXFSBKBWHJDZ-UHFFFAOYSA-N 378.492 2.070 10 40 GECB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)CC)C2)cc1 224382143 WIEMXAQNDPXMAA-KRWDZBQOSA-N 381.542 2.211 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OCC(=O)O)c3)C2=O)cc1C 409070297 ZTUZYCKGVMPSCC-YVLHZVERSA-N 394.383 2.433 10 40 GECB O=C1N[C@@H](c2ccccc2O)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)F)N1 11859239 OTFWNMJGGXWYHG-ZQIUZPCESA-N 380.322 2.496 10 40 GECB CC(C)C1=NN2C(=N)/C(=C/c3ccc(OS(C)(=O)=O)cc3)C(=O)N=C2S1 41083322 JUDMDPPWRXKKCZ-XWFJYDPRSA-N 392.462 2.300 10 40 GECB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN12 102542410 BRDPHEIXJFRQCD-IUUVDYQKSA-N 397.460 2.414 10 40 GECB O=C1N=C(S)N(c2cccc(Cl)c2)C(=O)/C1=C\NCCCn1ccnc1 103114250 VARVTQGGKZRELY-UVTDQMKNSA-N 389.868 2.259 10 40 GECB COc1ccc(N2CCN(C(=O)c3cc(OC)c4c(c3)OCCO4)CC2)cc1 8138872 IHVAQVSEUGSVCE-UHFFFAOYSA-N 384.432 2.437 10 40 GECB Nc1nc(O)nc(O)c1/N=N\c1ccc(S(=O)(=O)Nc2ccccn2)cc1 104090670 KANOSDATHMBFNI-MRCUWXFGSA-N 387.381 2.081 10 40 GECB CS(=O)(=O)C1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1 41077735 CGPRBRQDBYSXPP-KXXGJRMMSA-N 384.442 2.461 10 40 GECB Cc1ccc(N2C(=O)/C(=C\NCc3ccc4c(c3)OCO4)C(=O)NC2=S)cc1 5626003 YSNJJEMLIAIXSX-GDNBJRDFSA-N 395.440 2.145 10 40 GECB COC(=O)[C@H](C)OC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O 16206393 BGJIERCGDIFITP-VIFPVBQESA-N 383.312 2.089 10 40 GECB CCN(CC)CCCN/C=C1/C(=O)N=C(S)N(c2ccc(OC)cc2)C1=O 103104790 YREOPXJBYHQANV-SSZFMOIBSA-N 390.509 2.060 10 40 GECB COCC(=O)N[C@H]1[C@H](c2ccccc2)N(Cc2ccccc2O)CC[C@@]1(C)O 604383357 ZZOZGSBZZJUFKT-FDFHNCONSA-N 384.476 2.221 10 40 GECB biogenic,in-vitro COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)cc1 980541 ZMADKXRBZFBKCR-MHWRWJLKSA-N 397.456 2.137 10 40 GECB COc1ccc(N2C(=O)/C(=C\c3cccc(OC(C)=O)c3)C(=O)NC2=S)cc1 408764939 UIVFOZWUBUWMIV-BOPFTXTBSA-N 396.424 2.452 10 40 GECB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccccc1N1CCOCC1 408903290 QIMOOWZJBYKQFQ-LGMDPLHJSA-N 395.390 2.329 10 40 GECB COc1cc(OC)cc(OCC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c1 217010701 UATLZGKPZKKKGS-UHFFFAOYSA-N 399.491 2.151 10 40 GECB CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1Br 97513847 GPWNEDUQSJIQFB-OYGDSYQHSA-N 398.282 2.150 10 40 GECB CN(C)c1ccc(/C=C2/NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1 4682242 FRYXPYSDICVBCM-GZTJUZNOSA-N 382.395 2.423 10 40 GECB C[C@H](Sc1nnnn1C)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 6643540 ROYTWFCGBPNHQK-JTQLQIEISA-N 393.428 2.105 10 40 GECB O=[N+]([O-])c1cc([C@H]2SC=C3Sc4nncn4N32)ccc1N1CCOCC1 20435747 VCWLGMVZJWWDJK-CQSZACIVSA-N 390.450 2.311 10 40 GECB CCOc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O 5654431 LOAJSOIWZQCVIA-ZROIWOOFSA-N 380.356 2.480 10 40 GECB O=C1N[C@H]2C=CC=C[C@H]2/C1=C1/SC(=S)N(CCOc2ccccc2)C1=O 13547152 RCLDZWZBRXFTOC-PJHBIWMESA-N 384.482 2.420 10 40 GECB Cn1cc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)c2ccccc21 13786528 SFGNBDSMOGNYCR-CHDKLRHSSA-N 390.442 2.307 10 40 GECB COC(=O)c1c(C)cc(O)c(CO)c1Oc1c(C)c2c(c(O)c1O)C(=O)OC2 31163394 UMYYLVXJZQCZBU-UHFFFAOYSA-N 390.344 2.162 10 40 GECB biogenic,in-vitro COc1ccc(OCC(=O)NCCN2CCN(c3ccc(OC)cc3)CC2)cc1 56997224 NQEMPVJDRLHNQY-UHFFFAOYSA-N 399.491 2.021 10 40 GECB CCS(=O)(=O)c1ccccc1C(=O)N1CCN(c2ccc(OC)cc2)CC1 57764993 YLLVZELCUVZJON-UHFFFAOYSA-N 388.489 2.451 10 40 GECB COc1cc2c(cc1[C@H](c1cc3c(cc1O)OCO3)N1CCOCC1)OCO2 15109921 WVQXCMGRXKRVRF-FQEVSTJZSA-N 387.388 2.280 10 40 GECB CCCN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)SC1=S 408533813 QUTYZYKMVWSQKG-NTUHNPAUSA-N 392.462 2.396 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccc(F)cc3)N(C)C)ccc21 8963917 LOOVQEXAVAFVEF-LJQANCHMSA-N 384.455 2.176 10 40 GECB Cc1ccc(O)c(CN2CCC[C@H](c3cc(=O)[nH]c(N4CCOCC4)n3)C2)c1 19133453 ZGOLKTFHLROXNY-INIZCTEOSA-N 384.480 2.000 10 40 GECB COc1cc(/C=C2/SC(=S)N(CCC(=O)O)C2=O)cc(OC)c1OC 969848 OJZNPCRNWONEBY-XYOKQWHBSA-N 383.447 2.388 10 40 GECB O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1[C@@H]1CCS(=O)(=O)C1 1248446 RLXKGHGRYSGDEF-MGMWDDNKSA-N 393.511 2.394 10 40 GECB CN1CCN(C(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)CC1 19891039 MMAVIOVQHABPOO-WYMLVPIESA-N 379.507 2.035 10 40 GECB O=C(O)CN1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S 1792762 CTOMSBQBVVWGNS-KTKRTIGZSA-N 399.247 2.057 10 40 GECB Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)cc1 8963852 OCLWYMOPCOYBBU-HXUWFJFHSA-N 380.492 2.345 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1 408764289 SUBFVACZRXCOFW-UHFFFAOYSA-N 386.816 2.474 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)N(C)C)cc1 5340515 MBJIOMQZBNOOLL-SFHVURJKSA-N 399.451 2.018 10 40 GECB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3O)C2=O)cc1 408889543 DXQGEYDERPQHCE-RVDMUPIBSA-N 380.356 2.235 10 40 GECB O=C(O)c1cc(S(=O)(=O)Nc2cccc(N3CCOCC3)c2)ccc1F 55679248 JDJAIZZHQFGOBG-UHFFFAOYSA-N 380.397 2.161 10 40 GECB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1C(=O)O 10038296 DEDCMYBBYBQICO-RVDMUPIBSA-N 380.356 2.450 10 40 GECB COCCNC(=O)Cn1cc(/C=C2\SC(=S)N(C)C2=O)c2ccccc21 409129277 JFLGBVFYOCBZCM-DHDCSXOGSA-N 389.502 2.235 10 40 GECB CCOc1cc(/C=C2\C(=O)NN(c3ccc(C(=O)OC)cc3)C2=O)ccc1O 995421 RLQJOYQHDLWGOD-XNTDXEJSSA-N 382.372 2.039 10 40 GECB CN(C)c1ccc([C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 22664755 OHROYBITFKHWIW-FQEVSTJZSA-N 398.463 2.464 10 40 GECB O=[N+]([O-])c1cc([C@@H]2SC=C3Sc4nncn4N32)ccc1N1CCOCC1 20435746 VCWLGMVZJWWDJK-AWEZNQCLSA-N 390.450 2.311 10 40 GECB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCN1CCNCC1 100163481 WISCCSLECACMKX-CCEZHUSRSA-N 398.536 2.178 10 40 GECB CN1CCN(c2ccc(CNS(=O)(=O)Cc3ccccc3F)cc2)CC1 216948835 LNUMBVLAJTZXFR-UHFFFAOYSA-N 377.485 2.197 10 40 GECB O=C(COc1cccc(C=C2C(=O)NC(=O)NC2=O)c1)Nc1ccccc1Cl 409259834 GGKMRLZSQGFMGG-UHFFFAOYSA-N 399.790 2.107 10 40 GECB CCOC(=O)N1CCN(C(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)CC1 937966 CHYHPTYXGVYUOP-UHFFFAOYSA-N 396.399 2.278 10 40 GECB COc1ccc(N2CCN(CCCNC(=O)c3cccc(OC)c3O)CC2)cc1 32845465 IWONNWAMXUNMPZ-UHFFFAOYSA-N 399.491 2.352 10 40 GECB COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N(C)C 8963988 QYLONGKPEFLGOK-IBGZPJMESA-N 396.491 2.045 10 40 GECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(N3CCOCC3)cc2)C1=O 14133125 OXGWYUHZMQETHX-NBVRZTHBSA-N 391.427 2.498 10 40 GECB COc1cccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)c1 4356829 OCXACWMMXKXENR-HQQGHWSLSA-N 381.431 2.214 10 40 GECB CSc1nc2nc(C)c(CC(=O)NCc3ccc(N(C)C)cc3)c(C)n2n1 8780116 JMIRDOCYHGLDDN-UHFFFAOYSA-N 384.509 2.388 10 40 GECB O=C1N[C@@H](c2ccccc2O)[C@H](C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)N1 951762 OTFWNMJGGXWYHG-JKIFEVAISA-N 380.322 2.496 10 40 GECB CN(C)c1ccc(/C=C2/C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 4064060 KQPAZRGNAIXQOA-GDNBJRDFSA-N 394.387 2.323 10 40 GECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1ccc(O)c(Cl)c1 15013023 PFPHTZUQXVGUFH-WZUFQYTHSA-N 386.747 2.441 10 40 GECB Cn1cc(/C=C2/SC(=S)N(CCS(=O)(=O)O)C2=O)c2ccccc21 35040071 ZUERTZLRBOZNCN-MDWZMJQESA-N 382.488 2.267 10 40 GECB CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(C)C2=O)cc1OC 408917120 MZXATDIZGGOSHD-WEVVVXLNSA-N 399.266 2.113 10 40 GECB COC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1OC 33797481 BKVPINGHRKJDHL-OPCAMPFDSA-N 396.399 2.097 10 40 GECB COc1ccc(N2CCN(CCNC(=O)COc3ccccc3F)CC2)cc1 56997219 ZPQFGRVDVLWGBC-UHFFFAOYSA-N 387.455 2.152 10 40 GECB O=C(O)CCn1c(/C=C/c2cnc(N3CCCC3)nc2)nc2ccccc2c1=O 44026648 GWGFEOLZAJASQW-BQYQJAHWSA-N 391.431 2.432 10 40 GECB COc1ccc(/C=C2\C(=O)NN=C2c2c(O)c3ccccc3n(C)c2=O)cc1 3850449 PVBZILYSJWAIGJ-PTNGSMBKSA-N 375.384 2.170 10 40 GECB CCc1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC)SC3=NC2=O)cc1 41083957 HRESBAQLLUBJAC-NAXSCAEVSA-N 376.463 2.260 10 40 GECB Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408997002 FWNCZSWSOWMQRN-UHFFFAOYSA-N 387.779 2.195 10 40 GECB COc1ccc(/C=C2/SC(=S)N([C@@H](CCC(=O)O)C(=O)O)C2=O)cc1 2451242 FWOUXDGZSTXGPT-SERMCNLOSA-N 381.431 2.214 10 40 GECB O=C1N=C(N2CCN(CCO)CC2)S/C1=C\c1ccccc1C(F)(F)F 8569704 MPGBIMOPLYFCER-KAMYIIQDSA-N 385.411 2.286 10 40 GECB O=C1Nc2ccccc2/C1=C1\SC(=S)N(NC(=O)c2ccccc2O)C1=O 1737965 QCLNCSIFKRXMBP-BUHFOSPRSA-N 397.437 2.261 10 40 GECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1cccc(Br)c1 101104001 VFKYIYPHAKFYBS-JGWKKKPCSA-N 398.282 2.150 10 40 GECB Cc1cc(C)c(N2C(=O)/C(=C/NCc3cccnc3)C(=O)NC2=S)c(C)c1 5625872 ZTIPKRJQDWFAMZ-LFIBNONCSA-N 380.473 2.428 10 40 GECB CCOC(=O)c1cnn2c(O)cc(CN3CCN(c4cccc(C)c4)CC3)nc12 47279814 YYQHLJVJPMUWQG-UHFFFAOYSA-N 395.463 2.242 10 40 GECB CCOc1ccc(Br)cc1C=C1C(=O)N(C)C(=S)N(C)C1=O 59140041 NMKNUOYEWDIJCB-UHFFFAOYSA-N 383.267 2.447 10 40 GECB COC(=O)c1ccccc1/N=N/N(C)C[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@@H]1OC 1576062 FDTNEIWEYAWGOA-CAINEWMQSA-N 379.413 2.295 10 40 GECB O=C(O)CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5236032 SXEWCWVMCQFPMR-QBQSQJOESA-N 391.430 2.082 10 40 GECB O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@H]1CCCO1)c2[N+](=O)[O-] 5739007 IAIQAFBTXQDJIC-LLVKDONJSA-N 380.356 2.279 10 40 GECB CN1CCc2cc([C@H](CNC(=O)C(=O)NC(C)(C)C)N3CCCCC3)ccc21 13008071 ZKVQCVKRTFJDEN-IBGZPJMESA-N 386.540 2.237 10 40 GECB COc1ccc(C(=O)OCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1 3555443 RJFCDQFXJHYWRJ-UHFFFAOYSA-N 384.432 2.209 10 40 GECB O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2ccc(N3CCOCC3)cc2)c1 20456312 FXBBXCIAEXHAEN-UHFFFAOYSA-N 391.449 2.051 10 40 GECB COc1ccc(N2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)cc1 23718965 JVHKOVWMRXNVHN-HXUWFJFHSA-N 379.460 2.145 10 40 GECB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1[N+](=O)[O-] 408853145 MAIUDJLYRZZART-AWNIVKPZSA-N 395.327 2.298 10 40 GECB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(N4CCOCC4)cc3)C2=O)c1 5234157 UQYCYBDMYRTGPX-RGEXLXHISA-N 391.427 2.498 10 40 GECB O=C(C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100475982 YWLJLOLSGKXVKE-UHFFFAOYSA-N 390.220 2.385 10 40 GECB Nc1nc(N)c(/N=N/c2ccc(S(=O)(=O)Nc3nccs3)cc2)c(O)n1 104065691 PMILDJZWASFJHV-FMQUCBEESA-N 392.426 2.019 10 40 GECB COc1ccc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 408952579 OJKPCMOVUBBDMC-RIYZIHGNSA-N 396.355 2.099 10 40 GECB COc1cc(/C=C2/C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1O 41084278 MEZIEGSXSFBDGT-AQINLTQESA-N 379.401 2.463 10 40 GECB COc1cccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(C)CC2)c1 22589246 KZBWWZVBOCASLB-JOCHJYFZSA-N 396.535 2.480 10 40 GECB biogenic COc1ccc(N2CCN(C(=O)CCc3nc(-c4cccnc4)no3)CC2)cc1 46429486 UZFLDPYILPDWIN-UHFFFAOYSA-N 393.447 2.422 10 40 GECB CN(C)CCNC(=O)CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 54361025 NTHTZNWWRBCTCW-LCYFTJDESA-N 383.926 2.219 10 40 GECB COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(C)C3=O)c2C)cc1 15012651 ZMADKXRBZFBKCR-YBEGLDIGSA-N 397.456 2.137 10 40 GECB CC1=NN(c2cccc(C)c2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)CCO)cc1 408529136 HBBBJTAVIGTPQB-UYRXBGFRSA-N 399.472 2.480 10 40 GECB COc1ccccc1/C=C1/SC(=S)N(CCC(=O)OCCN(C)C)C1=O 33395823 LQYDIXBLSXXIQT-NTCAYCPXSA-N 394.518 2.391 10 40 GECB COc1ccc(N2CCN([C@@H](C)C(=O)NC(=O)NC3CCCCC3)CC2)cc1 57548134 MFYASWXNYMFAFP-INIZCTEOSA-N 388.512 2.364 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc([N+](=O)[O-])c(C)c3)C2=O)cc1 408538748 QDGWNKJGSMCRNH-GDNBJRDFSA-N 396.359 2.491 10 40 GECB C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)C[C@H](C)O1 4957097 HHZABILEXZVMKC-STQMWFEESA-N 385.441 2.260 10 40 GECB O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1CCS(=O)(=O)O 5371581 UXEGKWYTVUWANC-FNORWQNLSA-N 398.281 2.131 10 40 GECB Nc1nonc1/N=N/N(Cc1ccccc1Br)c1nonc1N 59520321 VYMWXBWBKRZUQH-HMMYKYKNSA-N 380.166 2.085 10 40 GECB Cc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc2n1CC(=O)O 107744995 WFQGNLZJTGHSAX-BOPFTXTBSA-N 375.384 2.496 10 40 GECB COc1ccc(CCNC(=O)Cc2c(C)c3ccc(O)c(O)c3oc2=O)cc1 4090150 AOKQSPXVBBKIHT-UHFFFAOYSA-N 383.400 2.423 10 40 GECB biogenic COc1ccccc1NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C 4330396 KZEFMNVBMFIVBH-SFHVURJKSA-N 384.480 2.119 10 40 GECB COc1ccc(N2C(=O)NC(=O)/C(=C/NNc3cccc(Cl)c3)C2=O)cc1 408528641 HYRXPLCSCRRNLC-GDNBJRDFSA-N 386.795 2.432 10 40 GECB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N(C)C)c1 8963939 GGOORPGKKGXKHX-HXUWFJFHSA-N 396.491 2.045 10 40 GECB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C)C3=O)c2C)cc1[N+](=O)[O-] 408992781 BVNBBJWVMSZZMH-NVNXTCNLSA-N 382.376 2.402 10 40 GECB CCCOC(=O)CN1C(=O)/C(=C2/C(=O)Nc3c(C)cccc32)SC1=S 1809488 OWQXRVLJCKGXAM-OWBHPGMISA-N 376.459 2.472 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)C(=O)O)C2=O)cc1 4356839 HUBLCIGODYRRQY-ZWIPKHHJSA-N 381.431 2.214 10 40 GECB C[C@H]1Cc2cc(/C=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)ccc2O1 16810388 BRDLDJIYNJREKU-FLANYWFWSA-N 395.527 2.398 10 40 GECB CCN(CCO)C(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370826 DQKCGJLSGFUROP-ZLRVCTSNSA-N 376.503 2.285 10 40 GECB COc1ccccc1-c1nc2sc(=Cc3ccc(N(C)C)cc3)c(=O)n2n1 254483424 CURRVXLJLVGOHH-UHFFFAOYSA-N 378.457 2.440 10 40 GECB C[C@@H](NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C)c1ccccc1 4330461 JMJWPDGFZQQNNH-UZLBHIALSA-N 382.508 2.349 10 40 GECB O=C(O)C1CCN(C(=O)CCN2C(=O)/C(=C/c3ccco3)SC2=S)CC1 5349206 JVIPPGHMSCPMSL-RAXLEYEMSA-N 394.474 2.194 10 40 GECB CCCCN1C(=O)[C@@H]2[C@@H](c3ccccc3O)N[C@@](CC(C)C)(C(=O)O)[C@@H]2C1=O 19848919 WTQZZTGGLKXCSY-ZGPJWRFFSA-N 388.464 2.307 10 40 GECB Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)n1 4476135 KDJSXMAVIGMNQO-UHFFFAOYSA-N 376.328 2.356 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 4704557 MWVHCMXFZDETRI-MLPAPPSSSA-N 395.327 2.298 10 40 GECB CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(N3CCOCC3)c2)cc1 41374075 AFAPGGPFSNSIEB-UHFFFAOYSA-N 389.477 2.026 10 40 GECB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OCC(=O)O)cc3)C2=O)cc1 4703333 NZIORINKVSYPHW-BOPFTXTBSA-N 394.383 2.379 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)C(=O)Nc2ccccc2[N+](=O)[O-])N(C)C)cc1 5340565 FQXDHMBPEMONEC-GOSISDBHSA-N 399.451 2.018 10 40 GECB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)N[C@H]1CCCCNC1=O 52642024 RUKPUFRDUUCJLL-AWEZNQCLSA-N 385.386 2.123 10 40 GECB COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 22733187 UNZVYYOFVCRMET-QFIPXVFZSA-N 395.503 2.491 10 40 GECB O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\NCc1cccnc1 408550671 IUNJWGNKAYGTHV-XFXZXTDPSA-N 390.827 2.296 10 40 GECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OCC(=O)O)C1=O 2278034 OVUVMXLUDXGYCN-GXDHUFHOSA-N 380.356 2.125 10 40 GECB COc1ccccc1C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)CC1 22589230 HBPZREQOMIJHMA-NRFANRHFSA-N 396.535 2.480 10 40 GECB CC1(C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(O)c([N+](=O)[O-])c3)cc21 96011294 YIPOWMYOBBHEIR-UHFFFAOYSA-N 377.378 2.331 10 40 GECB COc1cc(N/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc(OC)c1 100335331 YYFZGROHKKXYOU-GXDHUFHOSA-N 385.351 2.422 10 40 GECB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 408962336 HMWYWWBGTMCICD-MDWZMJQESA-N 399.384 2.140 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3OC)C2=O)cc1OC 1228825 OYJZYNWXOBTPOI-JLHYYAGUSA-N 382.372 2.379 10 40 GECB C[C@@H](NC(=O)CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)C(=O)O 5374973 GYSQGZQMCCYOHL-MBUANKHZSA-N 390.486 2.423 10 40 GECB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1OC 6858535 JPSJYPDUVQYBSY-UHFFFAOYSA-N 382.463 2.154 10 40 GECB COc1cc(/C=C2\C(=N)N3N=C(c4cccnc4)SC3=NC2=O)ccc1O 4646221 MEZIEGSXSFBDGT-CRKOOCFNSA-N 379.401 2.463 10 40 GECB O=C(Cc1csc(-c2ccco2)n1)NCc1ccc(N2CCNC(=O)C2)cc1 48250242 USOIYKRYYDBWIY-UHFFFAOYSA-N 396.472 2.198 10 40 GECB CC(C)NC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 5350346 FZQIUKDPGKXQKY-NRFANRHFSA-N 394.519 2.497 10 40 GECB O=C1N=C(N2CCOCC2)S/C1=C1/C(=O)Nc2ccc(Br)cc21 19707790 KZWNOJIGMKUFAP-VAWYXSNFSA-N 394.250 2.074 10 40 GECB O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(N2CCOCC2)cc1 58414868 VFKACKQEOQNBQE-UHFFFAOYSA-N 399.466 2.429 10 40 GECB O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2cc(C(=O)O)ccc2Cl)o1 408758113 GSTDVABUWFSBJV-UHFFFAOYSA-N 376.777 2.213 10 40 GECB COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3C)C1=O)OCO2 209584137 OQQQQBBTAFHMAA-QPEQYQDCSA-N 380.356 2.399 10 40 GECB COCC(=O)NC[C@H]1CC[C@H](C(=O)NCc2ccc3c(c2)CCCN3C)CC1 257263162 LORFHQOQYMMHOR-SAABIXHNSA-N 387.524 2.254 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3ccccc3F)N(C)C)ccc21 8963907 OFTDWBCKEKEVEL-LJQANCHMSA-N 384.455 2.176 10 40 GECB COc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OCC(N)=O 9188847 BEKBEERCQMODFL-GDNBJRDFSA-N 375.450 2.016 10 40 GECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1 4503416 WQDBBWBKGIRQAW-MHWRWJLKSA-N 398.346 2.044 10 40 GECB CCOC(=O)c1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1 408878316 AFXSHYITQYPTAG-LFIBNONCSA-N 380.356 2.235 10 40 GECB Cc1cc(S(=O)(=O)NCc2ccc(N3CCN(C)CC3)cc2)ccc1F 49740695 XIQDDYFTLQEREI-UHFFFAOYSA-N 377.485 2.364 10 40 GECB CCN(CC)c1ccc(CNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1 193750472 CSILDUVDSFDXAU-UHFFFAOYSA-N 381.542 2.211 10 40 GECB COCCN1C(=O)/C(=C\c2cc(Br)ccc2O)C(C(=O)OC)=C1C 6348218 ISERVECUJWUSGX-LCYFTJDESA-N 396.237 2.474 10 40 GECB COc1ccc(N2CCN(C(=O)[C@@]34CC[C@@](C)(C(=O)C3=O)C4(C)C)CC2)cc1 6673376 NUIUUWODTRAFGI-FCHUYYIVSA-N 384.476 2.308 10 40 GECB CN1CCN([C@@H](CNC(=O)c2cccs2)c2ccc3c(c2)CCN3C)CC1 22733690 QLVIXJZWCXPVBN-IBGZPJMESA-N 384.549 2.459 10 40 GECB COc1ccc(OC)c(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c1 26458800 PGFUXZXHEWPFMP-KYJZABPNSA-N 399.515 2.092 10 40 GECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2ccc(F)cc2)c1 408869771 TZALLLUSOHHDGE-UHFFFAOYSA-N 386.404 2.328 10 40 GECB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1 5485035 QUQSVWJJJRJGLK-UVTDQMKNSA-N 391.499 2.485 10 40 GECB CN(C)c1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2)N2CCOCC2)cc1 22664811 NDPSFKONSIHMDL-HXUWFJFHSA-N 398.463 2.464 10 40 GECB CCOc1ccc(/C=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)cc1 4980994 ZKDVCORVFXZTEI-CJAAZZPWSA-N 383.516 2.474 10 40 GECB CC1(C)OC(=O)C(=Cc2ccc(-c3ccc(S(=O)(=O)O)cc3)o2)C(=O)O1 1890416 HJPKENCZCNOAJU-UHFFFAOYSA-N 378.358 2.413 10 40 GECB Cc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc3nc(O)[nH]c3c2)C1=O 408536871 BPAURXNBZKNXCO-FMIVXFBMSA-N 377.360 2.156 10 40 GECB COc1cc(OC)cc(OCC(=O)NCc2ccc(N3CCOCC3)cc2)c1 218895314 AFHMZZLYCWPRKA-UHFFFAOYSA-N 386.448 2.236 10 40 GECB O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(Br)o1 409200737 KAFFAZNDWVQWJY-YRNVUSSQSA-N 377.150 2.414 10 40 GECB COc1cc(/C=C2\SC(N3CCCCCC3)=NC2=O)ccc1OCC(N)=O 9188863 PSCYMHPVCDNXBF-WJDWOHSUSA-N 389.477 2.406 10 40 GECB COc1ccc(/C=C2/SC(=S)N(CC(=O)OCCN(C)C)C2=O)cc1 16873063 JQLIPPHGBLEAJW-GXDHUFHOSA-N 380.491 2.001 10 40 GECB CCOC(=O)c1c(NC=C2C(=O)N(C)C(=O)N(C)C2=O)sc2c1CCCC2 5958195 JAZQFBWSTXCQJP-UHFFFAOYSA-N 391.449 2.150 10 40 GECB COc1ccc(-c2ccc(C=C3C(=O)N(C)C(=O)N(C)C3=O)o2)c([N+](=O)[O-])c1 4364510 OHRKCEASUQPCMP-UHFFFAOYSA-N 385.332 2.297 10 40 GECB O=C(O)CC[C@H](C(=O)O)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5236033 SXEWCWVMCQFPMR-PAKSIRSJSA-N 391.430 2.082 10 40 GECB COc1ccc(N2CCC(O)(CN3CC[C@@H]4NC(=O)CCCC[C@H]43)CC2)cc1 585283432 OGZRGWMDKBNECM-VQTJNVASSA-N 387.524 2.160 10 40 GECB COc1ccccc1NC(=O)[C@@H](/N=N/c1ccc(S(N)(=O)=O)cc1)C(C)=O 104124334 VUKISKOUVRLPQA-BZROSYFNSA-N 390.421 2.023 10 40 GECB CCOc1cc(/C=C2\SC(=S)N(CC(=O)OC)C2=O)cc([N+](=O)[O-])c1O 36352294 DRSAIYRXFCHPKO-WDZFZDKYSA-N 398.418 2.073 10 40 GECB Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc([N+](=O)[O-])c2)C1=O 13778132 WRQWHLNFRYPROV-LCYFTJDESA-N 388.430 2.480 10 40 GECB CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3F)nnc2n1 4570513 WXWRDEQNNWUMLD-UHFFFAOYSA-N 390.448 2.253 10 40 GECB COc1ccc(N2CCN([C@H]3CC(=O)N(c4ccccc4OC)C3=O)CC2)cc1 103292680 YKYDXLDEZLKNHB-IBGZPJMESA-N 395.459 2.158 10 40 GECB Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 6361316 USJURONIWHYKAY-BZNIZROVSA-N 390.461 2.123 10 40 GECB CCN(/C=C1\SC(=S)N(CCC(C)C)C1=O)[C@H]1CCS(=O)(=O)C1 13682508 HITKKCQATIHJBQ-VWLVURMCSA-N 376.569 2.243 10 40 GECB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1N1CCCC1=O 22528570 YCXNDEFMXPNSEG-UHFFFAOYSA-N 390.417 2.352 10 40 GECB COc1ccc(N2CCN(C(=O)Cn3c(=O)c(C)nc4ccccc43)CC2)cc1 32764949 RYYVVKBQNJTWMI-UHFFFAOYSA-N 392.459 2.062 10 40 GECB O=C(O)COc1ccccc1/C=C1\C(=O)N(c2ccc(O)cc2)C(=O)N=C1O 33456045 VFCBDWMCDHIOSP-ZROIWOOFSA-N 382.328 2.362 10 40 GECB Cc1ccc(/C=C2/C(=N)N3N=C(S(=O)(=O)CC(C)C)SC3=NC2=O)o1 41085216 PTJYBYSQUMNQFH-IUJVOJJXSA-N 380.451 2.235 10 40 GECB CN1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S 4550932 SLAXZYIFXQWCAZ-UKTHLTGXSA-N 390.262 2.496 10 40 GECB O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(O)c(Cl)c1 4703310 PFPHTZUQXVGUFH-VZUCSPMQSA-N 386.747 2.441 10 40 GECB COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1 408777744 HQBDAJDGNOTPFS-GZTJUZNOSA-N 394.383 2.213 10 40 GECB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(=O)O)cc3)C2=O)cc1 1201190 XVHIIYOZOGMWPU-MHWRWJLKSA-N 380.356 2.125 10 40 GECB CN1CCCc2cc([C@@H](CNC(=O)C(=O)NCc3ccccc3)N(C)C)ccc21 13008514 QTKFIQJZHFSDLI-OAQYLSRUSA-N 394.519 2.104 10 40 GECB COc1cccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N(C)C)c1 5340494 OBVNTYWIGRAGAK-LJQANCHMSA-N 384.480 2.119 10 40 GECB COc1cc(/C=C2/C(=O)N(CCC(=O)O)N=C2C)cc(Br)c1O 5657131 JVAMMWBLQLNIGD-BJMVGYQFSA-N 383.198 2.240 10 40 GECB COc1ccc(N/C=C2/C(=O)N([C@@H]3CCS(=O)(=O)C3)N=C2C)cc1Cl 97514675 QRXFMRJHUBGTES-FMNNIJNLSA-N 383.857 2.050 10 40 GECB O=C(O)COc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1Cl 408933347 AUZURYCBUDDTLH-ONNFQVAWSA-N 387.822 2.089 10 40 GECB COc1ccc2c3c(n(NC(N)=S)c(=O)c2c1OC)-c1ccccc1C3=O 604406292 DEYFLSJOJRRWPX-UHFFFAOYSA-N 381.413 2.017 10 40 GECB biogenic COc1ccc(N2CCN(C(=O)COC(=O)c3cccnc3Cl)CC2)cc1 3555454 HTQKZFGMQMVXKQ-UHFFFAOYSA-N 389.839 2.249 10 40 GECB CCn1nc(C)c(N/C=C2/C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)c1C 408757916 SERVFPIJMMIUCC-GDNBJRDFSA-N 383.408 2.107 10 40 GECB Cc1ccc(N2N=C(C(=O)NCc3ccc(N4CCCC4)cc3)NCC2=O)cc1 28335439 RLUBPJIFZZORRU-UHFFFAOYSA-N 391.475 2.161 10 40 GECB COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC 408952319 NFGLCANGYHJRCQ-NTUHNPAUSA-N 396.355 2.099 10 40 GECB COc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N(C)C)cc1 4330340 VQHNXJFRMBCFQD-IBGZPJMESA-N 384.480 2.119 10 40 GECB O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)N1CCOCC1 16764719 VHTYHKBYLBIEFR-LCYFTJDESA-N 382.894 2.400 10 40 GECB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(CCC(=O)O)C1=O 13597130 HDDVQIOYAZUUDN-QPEQYQDCSA-N 383.447 2.388 10 40 GECB CCOc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(CC(=O)O)C3=O)c2C)cc1 408591673 JWUHRKJEANOCMQ-LICLKQGHSA-N 383.404 2.470 10 40 GECB COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)NC3=O)c2C)c(C)c1 408993494 DMCOQAFTHUABOI-UHFFFAOYSA-N 397.456 2.103 10 40 GECB Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 6153274 ACRYOSHVBPNPTB-ZROIWOOFSA-N 391.499 2.485 10 40 GECB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NCCCn2ccnc2)C1=O 103110954 TVFBVFUCFSNHOF-OWBHPGMISA-N 383.408 2.269 10 40 GECB O=C1/C(=C/c2cccc(O)c2O)SC(=S)N1CCCN1CCOCC1 17110089 YIFYXILBDUTHAX-KAMYIIQDSA-N 380.491 2.021 10 40 GECB O=Cc1ccc(/C=C2\SC(=S)N([C@H](CCC(=O)O)C(=O)O)C2=O)cc1 5375039 DPVYIAGWZAMJRT-HBZGRHIISA-N 379.415 2.018 10 40 GECB COc1ccc(S(=O)(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1[N+](=O)[O-] 9352282 JOHNCMNRLOCLJR-UHFFFAOYSA-N 397.434 2.053 10 40 GECB CC(=O)NCc1ccc(S(=O)(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 12551388 OYNCNJPWKAWIIS-UHFFFAOYSA-N 375.494 2.209 10 40 GECB COC(=O)[C@@H](C)Oc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC 34883074 HYFJBSYNOTZJHI-YYTPVVGHSA-N 396.399 2.097 10 40 GECB CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)/C1=C/Nc1ccccc1Br 97513848 GPWNEDUQSJIQFB-SERMCNLOSA-N 398.282 2.150 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)Cc3ccccc3OC)CC2)cc1 6533446 MKWMDDLXAXABMY-UHFFFAOYSA-N 398.459 2.138 10 40 GECB COc1ccc(N2CCN(C(=O)C3CCN(c4ncccn4)CC3)CC2)cc1 9423918 AIKRWRDCVJESBI-UHFFFAOYSA-N 381.480 2.050 10 40 GECB Cc1cccc(OCC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1 48367894 CGVXAEXDIUOKJP-GOSISDBHSA-N 381.476 2.392 10 40 GECB O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(N2CCOCC2)nc1 54035741 OXHLOSWVXRRFCO-UHFFFAOYSA-N 398.532 2.401 10 40 GECB CN(C)c1ccc(CN2CCC[C@@H](c3cc(=O)nc(N4CCOCC4)[nH]3)C2)cc1 19584967 ZLCPTHLWVDKUSN-GOSISDBHSA-N 397.523 2.052 10 40 GECB CCN(CC)CCOC(=O)c1ccc(NC=C2C(=O)OC(C)(C)OC2=O)cc1 101268485 ZKTJXJPFLFPBNM-UHFFFAOYSA-N 390.436 2.317 10 40 GECB CCOc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)C(=O)O)C2=O)cc1 27530395 HUBLCIGODYRRQY-LAPSENCUSA-N 381.431 2.214 10 40 GECB COC(=O)COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 103518266 ODAKOQGHDIFQJK-LFIBNONCSA-N 394.383 2.213 10 40 GECB O=C(C[C@@H]1SC(=S)NC1=O)Nc1ccc(I)cc1 34926853 KFCPXRMMBMSBSN-QMMMGPOBSA-N 392.243 2.136 10 40 GECB CCOc1ccccc1N1C(=O)N=C(O)/C(=C/NCCN2CCCCC2)C1=O 102500154 IKBSCHJMZKXWHO-PFONDFGASA-N 386.452 2.468 10 40 GECB Cc1ccc(/C=C2/SC(=S)N(CC(=O)NCCCC(=O)O)C2=O)cc1 5374912 DBFOIFIPBFZKTB-UKTHLTGXSA-N 378.475 2.177 10 40 GECB COc1ccc(N2CCN(C(=O)C(=O)Nc3ccc(F)c(F)c3)CC2)cc1 10326940 OAPOQKDZAMCCAY-UHFFFAOYSA-N 375.375 2.261 10 40 GECB O=C(COc1ccc2ccc(=O)oc2c1)NCc1ccc(N2CCOCC2)cc1 54285386 QTDCRVOFOFYCMF-UHFFFAOYSA-N 394.427 2.325 10 40 GECB CN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)C(=O)NC1=S 408913984 WSFVSPPOEOZZIF-MHWRWJLKSA-N 396.424 2.220 10 40 GECB CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N3CCOCC3)C2=O)cc1 27530555 IRECVNICUDKRFB-RVDMUPIBSA-N 392.502 2.145 10 40 GECB COc1ccc(N2CCN(C(=O)COC(=O)c3cc(C)ccc3O)CC2)cc1 5280709 WUPXEEASVWUBQR-UHFFFAOYSA-N 384.432 2.215 10 40 GECB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1O[C@@H](C)C(=O)N(C)C 6209262 QUSHNSVDSOEBQA-ADVUTCEVSA-N 380.491 2.430 10 40 GECB COc1ccc(N2CCN(C(=O)CCNc3ccc([N+](=O)[O-])cn3)CC2)cc1 13691670 MUDZLEKORPBWCP-UHFFFAOYSA-N 385.424 2.149 10 40 GECB Cc1ccccc1N1C(=O)/C(=C/NCCCN2CCCCC2)C(=O)NC1=S 20266142 FEIPDRLMKPOTRQ-JQIJEIRASA-N 386.521 2.092 10 40 GECB COc1ccc(CN2CCc3c(nc(N4CCCC[C@H]4C)[nH]c3=O)C2)c(O)c1 72347322 MTAZUVVUWSZFOG-CQSZACIVSA-N 384.480 2.421 10 40 GECB COc1ccc(C=C2C(=O)NC(=S)NC2=O)c(OCc2cccc(F)c2)c1 408894562 IPVLFMJFLHUFIO-UHFFFAOYSA-N 386.404 2.328 10 40 GECB CN1CCc2cc([C@@H](CNC(=O)C(=O)Nc3nccs3)N3CCCC3)ccc21 8964197 UCUWIXUFJNUXHP-QGZVFWFLSA-N 399.520 2.027 10 40 GECB CCOC(=O)C1=C(C)N=C(SCC(=O)OC)N[C@H]1c1ccc(N(C)C)cc1 408991320 QDRYHUIOTLFQQA-KRWDZBQOSA-N 391.493 2.496 10 40 GECB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O 409103801 ZARVQVBGVIOWEW-KWWJGWKXSA-N 390.461 2.429 10 40 GECB COc1ccc(N2CCCN(Cc3ccnc(N4CCOCC4)n3)CC2)cc1 19556383 TULARYJIECWMKB-UHFFFAOYSA-N 383.496 2.034 10 40 GECB O=C(O)Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 4682230 UZKPSCQZZONACK-DHDCSXOGSA-N 381.388 2.130 10 40 GECB O=C(O)C[C@H](C(=O)O)N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 5033156 AWIBMSZVQYQRBY-PZHUPROXSA-N 391.426 2.135 10 40 GECB COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2OC(C)=O)C1=O 408529997 DNWQQOUXILDTDM-KAMYIIQDSA-N 380.356 2.287 10 40 GECB CCOC(=O)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 3484837 CDNBRQNNGCNEIC-UHFFFAOYSA-N 383.356 2.182 10 40 GECB COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC)cc3OC)C2=O)c1 1067055 RVQNFKFJIJQYKL-CXUHLZMHSA-N 382.372 2.379 10 40 GECB COc1ccc(N2CCN(C(=O)c3coc(=O)c(Br)c3)CC2)cc1 2417974 VYZZEKHHSARSOE-UHFFFAOYSA-N 393.237 2.373 10 40 GECB O=C(O)CN1C(=O)/C(=C\c2ccc(I)o2)SC1=S 2931955 HRCBSCHZOIVEAV-ZZXKWVIFSA-N 395.199 2.170 10 40 GECB CCOC(=O)C1=C(C)n2c(sc(=C(C)C)c2=O)=N[C@H]1c1ccc(N(C)C)cc1 6711574 CRVRFORGKPPEEW-KRWDZBQOSA-N 399.516 2.335 10 40 GECB CCc1nnc(N/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)s1 13564321 UZGIJNFMPKZIGX-YFHOEESVSA-N 377.813 2.333 10 40 GECB