smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1 1204900 XVABAFKISUEYAR-GZTJUZNOSA-N 399.493 4.054 10 40 GICB Oc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 10215464 LJOPNTQDYQLILI-WIYYLYMNSA-N 393.830 4.389 10 40 GICB CCOc1ccc(/C=C2/SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1 35648145 HYDJTFMVRJVMNC-LDADJPATSA-N 381.457 4.126 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 225752040 NIDSYBYZOBCXTH-HXUWFJFHSA-N 392.543 4.288 10 40 GICB Cc1cc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(F)cc1 13810500 RMCODNJLLMSWPI-UDWIEESQSA-N 389.455 4.004 10 40 GICB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccccc1)N1CCCC1 44086256 UNSTZVJFIDJXLT-UHFFFAOYSA-N 377.513 4.313 10 40 GICB COc1cccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1OC 408972873 WNLXPKAAKALGAA-KAMYIIQDSA-N 376.334 4.052 10 40 GICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(Sc2nc3ccccc3[nH]2)o1 59513168 XQTQWUPHHFQJAU-UHFFFAOYSA-N 396.424 4.061 10 40 GICB Cc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)cc1Cl 4602918 OSOGTULXLTXYDE-PFONDFGASA-N 386.885 4.377 10 40 GICB C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 5032424 NAIXQXUELKFILC-JNNKLVPLSA-N 393.873 4.274 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)C(=O)c1ccccc1C2=O 13403248 IWWKFGWZXLUTNV-FYJGNVAPSA-N 392.414 4.268 10 40 GICB COc1ccc2nc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)ccc2c1 54360773 USGZEWBZSCBDEU-WQRHYEAKSA-N 394.477 4.355 10 40 GICB O=C(NCc1ccccc1O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 84504885 DPNZADFOTZCEAJ-UHFFFAOYSA-N 393.830 4.421 10 40 GICB CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1cc([N+](=O)[O-])ccc1O 100148658 IJJPHHRKPRCCQP-SFQUDFHCSA-N 388.383 4.172 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 222793001 OJCIRLSYHPQXBF-SFTDATJTSA-N 391.544 4.185 10 40 GICB COc1ccc(N(C)CCCNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 224992782 CVCBEYQXZCNOBO-UHFFFAOYSA-N 390.911 4.149 10 40 GICB [N-]=[N+]=NCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 102828910 OQQWRNKEIVZMBU-INIZCTEOSA-N 384.237 4.437 10 40 GICB Cc1ccc(CN2C(=O)N/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=O)cc1 409225753 KTVCTFWSLAMJGL-HMAPJEAMSA-N 385.467 4.495 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 12032578 ZBIUKUBIIUMXRL-ZROIWOOFSA-N 375.858 4.444 10 40 GICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 15134526 XNWMPEJAZDHAHL-DHDCSXOGSA-N 390.226 4.410 10 40 GICB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(SC)cc1 408769259 MHIKGAKFXWVDEL-PDGQHHTCSA-N 383.444 4.425 10 40 GICB CCN1C(=O)/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)SC1=S 409346955 LVAGYFLYBVQMHG-GHXNOFRVSA-N 395.868 4.283 10 40 GICB Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S 2240162 LGCIBRIQSGDGCY-LGMDPLHJSA-N 382.510 4.225 10 40 GICB O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNC[C@H]3CCCO3)c2o1 20646709 PZJQTHHXYKTVFT-CQSZACIVSA-N 385.847 4.088 10 40 GICB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccc(C)c([N+](=O)[O-])c1 96193258 MWLJQHPAVMSJHY-AUWJEWJLSA-N 399.790 4.061 10 40 GICB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 217946800 HKHSFVLNYLIUKP-QZTJIDSGSA-N 382.504 4.188 10 40 GICB Cc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 222598050 LJOOGVLKWLAFRE-JHVJFLLYSA-N 389.528 4.473 10 40 GICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1OC 408895693 VNYVGCLTUWUXOM-ATPAHOSSSA-N 377.440 4.129 10 40 GICB Oc1c(Br)cc(Br)cc1CNc1nc2ccccc2[nH]1 1296283 HJMQKKGEGHMNPT-UHFFFAOYSA-N 397.070 4.406 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1 5477789 OWVOFHKAIYQTAW-AQTBWJFISA-N 385.510 4.148 10 40 GICB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 13669303 NPLFKGNUYYJXID-XBXARRHUSA-N 391.298 4.160 10 40 GICB O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1c2ccccc2cc2ccccc12 409372854 NHYOKHVPIKGUTC-FYJGNVAPSA-N 396.402 4.248 10 40 GICB CCN1C(=O)/C(=C/c2ccc(-c3cccc(C(=O)OC)c3C)o2)SC1=S 409379341 WIHMOCZZNTZELU-YBEGLDIGSA-N 387.482 4.263 10 40 GICB O=C(N[C@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O)c1ccccc1 1204076 IQPSMMFOEYJSBP-OAQYLSRUSA-N 398.418 4.189 10 40 GICB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1CN(C)C[C@@H]1CCCN2CCCC[C@H]12 524731200 NOTPYNFNJCRKTB-AZUAARDMSA-N 398.547 4.120 10 40 GICB biogenic COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Cl 32109296 HBEUDGDGLUHDQA-ATVHPVEESA-N 383.831 4.226 10 40 GICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 222738835 RUYWECJVFXGJLP-WOJBJXKFSA-N 380.492 4.231 10 40 GICB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccccc1C(F)(F)F 4904582 PJSGDIRZLQJGBM-GDNBJRDFSA-N 391.345 4.171 10 40 GICB O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1cc(Cl)ccc1Cl 10113206 GXIRQGVCTAMVPU-UHFFFAOYSA-N 399.343 4.462 10 40 GICB Cc1ccc(-n2nnnc2/C=C\Nc2ccccc2C(=O)c2ccccc2)cc1 102531703 ZDSJJIOZHWQLEZ-NXVVXOECSA-N 381.439 4.285 10 40 GICB CC(C)c1ccc(/C=C2/C(=O)N(CCc3ccc(F)cc3)C(=O)N=C2O)cc1 1255478 DEIODCKMINVTTP-CPNJWEJPSA-N 380.419 4.494 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c1 4209083 PIEAVQCRSUNRTB-UDWIEESQSA-N 392.455 4.005 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)C(C(=O)OC)=C1C 409013325 MYGGFQHEVKHRDD-MOSHPQCFSA-N 392.499 4.403 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(F)cccc3F)c2C)cc1 6830885 VEFGSOFYRRRWFL-UHFFFAOYSA-N 399.393 4.421 10 40 GICB CN(Cc1ccc(N2CCCCC2)cc1)Cc1nc(Cc2ccccc2)no1 40153489 RGOWEZYULZQTFL-UHFFFAOYSA-N 376.504 4.283 10 40 GICB Cc1ccc(C2=NC(=O)/C(=C/c3ccccc3OCC(=O)OC(C)C)S2)cc1 1436561 YGBPAQDBZAWMSW-UNOMPAQXSA-N 395.480 4.387 10 40 GICB CCN(CC)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc1 3028067 ITBXEAMONYHCRK-BOPFTXTBSA-N 399.834 4.439 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1cccc(Cl)c1 4498324 CSJJDSOPIGTYDO-CPNJWEJPSA-N 381.863 4.428 10 40 GICB Cc1ccc(C(=O)c2ccccc2)c(N/C=C\c2nnnn2-c2ccccc2)c1 102532064 SNGNBZCZYKAOPH-PFONDFGASA-N 381.439 4.285 10 40 GICB CCOc1ccc(N/C(C)=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)cc1 112120624 MLXZQTAZHWNVAW-UYRXBGFRSA-N 380.404 4.102 10 40 GICB C[C@H]1[C@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C 5336304 GJEDYODRNPXMLU-XNWBNFLHSA-N 387.527 4.179 10 40 GICB O=C(Cc1ccc(Cl)s1)Nc1cccc2c1C(=O)c1ccccc1C2=O 10060933 LNOBJXBEHLYQSE-UHFFFAOYSA-N 381.840 4.358 10 40 GICB CN(C)c1ccc([C@@H](CNC(=O)c2ccccc2)N2CCc3ccccc3C2)cc1 35349267 LQLIPMBUNJXTPY-RUZDIDTESA-N 399.538 4.282 10 40 GICB CCOc1ccccc1N1CCN(Cc2cc(OC)cc(C(C)(C)C)c2O)CC1 89272009 WQYBEBMSZUMRHD-UHFFFAOYSA-N 398.547 4.419 10 40 GICB C#CCOc1c(CC=C)cc(/C=C2\SC(=S)N(CC)C2=O)cc1OCC 107856043 TYRVRNURUMZQDG-LGMDPLHJSA-N 387.526 4.047 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c(OC)c1 5371354 TZRAPEBUMLQMFQ-ZDLGFXPLSA-N 399.493 4.312 10 40 GICB CN(C)c1ccc(CN(C(=O)COc2ccc(Cl)cc2)c2ccccn2)cc1 28288122 CUMSHOBACNQFQD-UHFFFAOYSA-N 395.890 4.413 10 40 GICB COc1ccc(CCC(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260815099 REOGKUOWIGFKIY-SFHVURJKSA-N 380.532 4.489 10 40 GICB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C 408813161 OMBWXFFLNHJNMA-PXNMLYILSA-N 376.865 4.422 10 40 GICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(N(C)C)cc1 1101761 HZZCZHRJVBREDZ-PGMHBOJBSA-N 394.515 4.316 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccccc1 2994320 LBLVDHSUBILSEQ-LDADJPATSA-N 385.510 4.495 10 40 GICB COC(=O)CCCCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S 4076824 NMWWWOYLGWUXCQ-NTCAYCPXSA-N 379.503 4.266 10 40 GICB COc1ccc(C2(NCc3ccc(OC)c(Cn4nc(C)cc4C)c3)CC2)cc1 12238649 FHIIXWRPPDMBHF-UHFFFAOYSA-N 391.515 4.344 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1O 13686973 JODHEPSOPJRJBT-SXGWCWSVSA-N 375.446 4.336 10 40 GICB C[C@@H]1CC(=O)N[C@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C 4621063 QDLUIPKHEOLEDQ-YMXWFHOSSA-N 375.516 4.168 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2ccc(NC(C)=O)cc2)SC1=S 409329295 DLFAGSCMRUABTH-BOPFTXTBSA-N 384.482 4.059 10 40 GICB CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2248410 HMVLMQXNPOMKEP-SSZFMOIBSA-N 377.531 4.320 10 40 GICB Cc1ccc([C@@H](c2cc(Cl)c3cccnc3c2O)N2CCN(C)CC2)cc1 22861018 SMBVLTDYPBOIRN-NRFANRHFSA-N 381.907 4.239 10 40 GICB COc1ccc(N(CC(=O)N2CCc3sccc3C2)Cc2ccccc2)cc1 32892797 SOVUFRZGFUKKOE-UHFFFAOYSA-N 392.524 4.348 10 40 GICB CCCCN1C(=O)/C(=C\c2ccc3c(c2)CCN3CCCC)C(O)=NC1=S 33343432 ZTOWDRLYCRYRLD-VKAVYKQESA-N 385.533 4.116 10 40 GICB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)cc21 222726770 BUGVBFJXGQUCNI-WOJBJXKFSA-N 378.545 4.316 10 40 GICB CN(C)[C@H](Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1 604405227 NYEFLFLFSZNBRR-LJQANCHMSA-N 384.435 4.109 10 40 GICB biogenic COc1ccc2nc(N/C=C3/C(=O)N(c4ccc(F)cc4)N=C3C)sc2c1 101122343 IKLIYRRFAGJZKG-XNTDXEJSSA-N 382.420 4.163 10 40 GICB Oc1ccccc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccc2c(c1)OCO2 102907272 LTXISQBKRVUWGH-WZONZLPQSA-N 386.407 4.363 10 40 GICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cn(CC(=O)O)c2ccccc12 16161009 FBCUKHDTFTZORK-NVMNQCDNSA-N 393.830 4.185 10 40 GICB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 223699887 TWXUIJGUPRXLOW-MRXNPFEDSA-N 390.574 4.123 10 40 GICB C[C@H]1CN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 13060367 AANABLUNKXOBFF-MNVSYLFESA-N 383.879 4.187 10 40 GICB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 5489243 AFPOCWRIFSKKEV-NCPSJORJSA-N 391.445 4.150 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3OC)SC2=S)cc1 5170487 YBIDUQFDZRPZHO-LICLKQGHSA-N 387.482 4.118 10 40 GICB CN1CCCc2cc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)ccc21 9419780 XOYXLZXUECBZPX-LDADJPATSA-N 382.510 4.180 10 40 GICB CCOc1cc(/C=C2\SC(NC3CCCC3)=NC2=O)ccc1OC(F)F 23987211 VUCZTNDKPBNMTB-GDNBJRDFSA-N 382.432 4.189 10 40 GICB O=C1/C(=C\c2c(O)ccc3ccccc23)C(O)=NC(=S)N1c1ccccc1F 59135701 MRTVFKRSMBLURB-PTNGSMBKSA-N 392.411 4.356 10 40 GICB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@@H]21 227486636 PQCBAEKHVSITLM-WMZHIEFXSA-N 387.439 4.428 10 40 GICB CC(/C=C1/C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O)=C\c1ccccc1 408982295 GIYJWVVTJOKHFC-NEOBQEPSSA-N 380.831 4.261 10 40 GICB COc1ccc(N2COc3c(Cl)cc4c5c(c(=O)oc4c3C2)CCC5)cc1 2449884 AUBMVSKNXCVKLG-UHFFFAOYSA-N 383.831 4.300 10 40 GICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl 5614301 ZYGWBEZJERVNLP-GHRIWEEISA-N 399.849 4.394 10 40 GICB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 8738896 PRTDIYONCVAZCR-CYUIRQCWSA-N 392.411 4.405 10 40 GICB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C1 20462560 MZQPOWJBUUEIPL-HXUWFJFHSA-N 391.559 4.449 10 40 GICB CN(C)[C@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 35316632 QJAFHPOCFDXTJT-NRFANRHFSA-N 385.939 4.249 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2ccc3nccnc3c2)SC1=S 54361144 DOCGQKVLNHUNNY-BOPFTXTBSA-N 379.466 4.044 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)NC2CCN(Cc3ccccc3)CC2)cc1 3455710 QFOHGRXAODPOFZ-UHFFFAOYSA-N 387.527 4.489 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1ccc(Cl)cc1Cl 10907015 IUBGWYSNGZHPGC-UHFFFAOYSA-N 393.314 4.031 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O 35040772 IFSJZEIFYOVVIR-RQZCQDPDSA-N 385.466 4.009 10 40 GICB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCOCC2)cc1 54285144 UMBRCXHAOZJGKM-UHFFFAOYSA-N 386.495 4.049 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 653820 ABZQFYNIYXUSBD-UYRXBGFRSA-N 396.874 4.283 10 40 GICB CCCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 1810698 FPWAKIVIRSHAID-WJDWOHSUSA-N 377.531 4.355 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)c1 4341274 ZKWYZMQOKWTQLQ-ZSOIEALJSA-N 375.858 4.444 10 40 GICB Cc1cccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)c1 4575819 FRAGDYUMLNXVNG-AQTBWJFISA-N 385.510 4.284 10 40 GICB COC(=O)c1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 13816199 DGFMSPNSKHGNIQ-OAQYLSRUSA-N 385.423 4.324 10 40 GICB COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 217840673 POHNPQDEWOMBPQ-GOSISDBHSA-N 382.504 4.188 10 40 GICB C[C@H]1CC(=O)N[C@@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C 730796 QDLUIPKHEOLEDQ-QENBSYJXSA-N 375.516 4.168 10 40 GICB Cc1cc(C(=O)OCC(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)cc1 3349689 WERSRJHESIEBLS-UHFFFAOYSA-N 384.382 4.168 10 40 GICB N=C1/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 4549760 DVWSCZCCWAHRAP-OWXMOAHUSA-N 390.346 4.128 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)cc(C)c3)n2C)cc1 7423520 BTPVEYCKXWDJSU-UHFFFAOYSA-N 381.501 4.443 10 40 GICB Cc1nn(C)c(C)c1CC(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 10888395 JCUPDVMJYCWAHY-VWLOTQADSA-N 399.494 4.344 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2cccc3nccnc23)SC1=S 13719395 DCXOGDDSQXIEFO-WJDWOHSUSA-N 379.466 4.044 10 40 GICB CCN1C(=O)/C(=C/c2ccc(C)s2)C(=O)N(c2ccc(Cl)cc2)C1=S 660853 BCFFXBFWIRKSEP-GDNBJRDFSA-N 390.917 4.274 10 40 GICB O=C1NC(=S)S/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 5007397 OOBRLIOZAZPDGT-WQRHYEAKSA-N 398.484 4.348 10 40 GICB CCOc1ccccc1C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288104 VFYMZCNAFOZBHX-UHFFFAOYSA-N 375.472 4.393 10 40 GICB CC(C)C[C@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96113854 GVMBIOQRRDQPAK-ZDUSSCGKSA-N 380.396 4.310 10 40 GICB biogenic CCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1OC 1305645 DIXVCDMBFHSQHQ-LDADJPATSA-N 385.510 4.495 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3ccc(N(CC)CC)cc3)NC2=S)cc1 2247235 GMGWLIZIJBKKAY-HKWRFOASSA-N 395.528 4.194 10 40 GICB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccccc1Br 4745951 OCQQZASBNWHMGY-UKTHLTGXSA-N 377.288 4.250 10 40 GICB Cc1cc(CNC2CC(C)(C)NC(C)(C)C2)c(C)n1-c1ccc2c(c1)OCO2 7984382 HIAKCXFDZZIPMP-UHFFFAOYSA-N 383.536 4.222 10 40 GICB Cc1ccccc1OCCOc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1 16666495 FSQAWWSKPXVECP-AQTBWJFISA-N 385.510 4.284 10 40 GICB Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=S)N=C2O)cc(C)c1O 38172330 YXXVWLIJRRGXTC-OVCLIPMQSA-N 386.860 4.334 10 40 GICB COC(=O)c1ccccc1N/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 618255340 XYHWWGKDHLABJP-WJDWOHSUSA-N 384.482 4.100 10 40 GICB CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2701143 BLVXRTLKKCLMIO-SSZFMOIBSA-N 377.531 4.320 10 40 GICB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1 12564691 TVDXLYAUZQTHLE-UHFFFAOYSA-N 397.500 4.240 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 409338355 IIIXMGBWUOECES-MHWRWJLKSA-N 386.454 4.318 10 40 GICB COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 222793579 RXUBOCRQFCAMKE-QZTJIDSGSA-N 382.504 4.188 10 40 GICB Cc1ccc(N2C(=O)/C(=C\c3ccc(OCC(=O)O)cc3)SC2=S)cc1C 16906407 MPQOVHNAVNGSMT-LICLKQGHSA-N 399.493 4.173 10 40 GICB O=c1oc2c(CN3CCCC3)c(O)ccc2cc1-c1nc2ccccc2s1 4144065 HZEKOSIRUTVOOR-UHFFFAOYSA-N 378.453 4.371 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 6953049 AZVZWAAPZJYULP-KHYOSLBOSA-N 380.400 4.217 10 40 GICB COc1ccc(-c2cc(=O)oc3c(CN4CCC[C@H](C)C4)c(O)ccc23)cc1 2154501 KHHJEQHMCNCFIK-HNNXBMFYSA-N 379.456 4.406 10 40 GICB biogenic CCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccc(OC)cc1 112123193 KUOZXOMSOLAGPP-PGMHBOJBSA-N 393.487 4.118 10 40 GICB CCCCN1C(=O)N=C(O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 9245762 CYEVOAAYXHNMPG-PDGQHHTCSA-N 383.423 4.335 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)c1 967146 USMCBFNLEAPJRN-CXUHLZMHSA-N 380.450 4.272 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 5373675 BZXUDGHTSAEIFR-YVLHZVERSA-N 399.493 4.498 10 40 GICB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 5180430 SQZPWYVLIDVXRC-QLDZPZBVSA-N 391.500 4.467 10 40 GICB CCOc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 6781022 AEEOIOSJFZVOLW-UHFFFAOYSA-N 380.419 4.453 10 40 GICB Fc1ccccc1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1 13568997 AZBXMFAAUKWZCV-UHFFFAOYSA-N 391.490 4.260 10 40 GICB CCN1CCN(C2=NC(=O)/C(=C/c3cccc(Oc4ccccc4)c3)S2)CC1 19841933 AMAKDYNMJWTWHU-SILNSSARSA-N 393.512 4.087 10 40 GICB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cn1 225657695 BYALAKDHYNRRQN-MRXNPFEDSA-N 384.549 4.374 10 40 GICB COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1 4690476 CDGSVDOSYPJPHC-BOPFTXTBSA-N 399.493 4.054 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 13546752 WVCOGLKEXBVACT-LDADJPATSA-N 399.853 4.172 10 40 GICB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1 19842239 XSJZXBZJZYMUBX-RGEXLXHISA-N 397.931 4.128 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1O 59959245 JFLVHCDCXFWQLY-UYRXBGFRSA-N 377.440 4.393 10 40 GICB CCCOC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1 6398339 KMGFLKDTPJTFAE-UYRXBGFRSA-N 381.407 4.111 10 40 GICB O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 27018654 ANWAOSUTNLYTRD-GDNBJRDFSA-N 391.445 4.152 10 40 GICB COc1ccc(N2CCC(N(C)C(=O)Nc3cc(C)ccc3OC)CC2)cc1 58354938 ZHZCWLXZRHEPEH-UHFFFAOYSA-N 383.492 4.145 10 40 GICB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 111442516 MBTPSYGHODMTSU-LVCYWYKZSA-N 377.440 4.476 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 4199903 WTGRLGCHWTUYKT-GJYPPUQNSA-N 380.400 4.217 10 40 GICB COc1cc(N2CCOCC2)ccc1CNC1(c2ccccc2OC)CCCC1 12292846 NCQIGOCWWWCXOS-UHFFFAOYSA-N 396.531 4.100 10 40 GICB Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 58856228 FUKBVIAWVHIKAI-UHFFFAOYSA-N 397.383 4.307 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59959161 ZUMYWSHREZHGAY-YVLHZVERSA-N 398.802 4.125 10 40 GICB O=C(c1cccc(Cl)c1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O 95115978 RRQWVPGCHOETEC-IBGZPJMESA-N 377.831 4.432 10 40 GICB CC(C)C[C@@H]1CC(=O)Oc2c(O)c(O)c3c(=O)cc(-c4ccccc4)oc3c21 96113853 GVMBIOQRRDQPAK-CYBMUJFWSA-N 380.396 4.310 10 40 GICB biogenic CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 222863941 POVMMFLIVMYNAZ-LEWJYISDSA-N 391.544 4.267 10 40 GICB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1 224578663 VRYVXXFHMWBJLW-GOSISDBHSA-N 391.515 4.295 10 40 GICB COC(=O)C1=C(C)N(c2ccc(OC)c(Cl)c2)C(=O)/C1=C\c1ccccc1 638384 VVJJYKBLJUHEAJ-WJDWOHSUSA-N 383.831 4.226 10 40 GICB COc1ccc(N2CCN(C(=S)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 17080818 UOVIOQLGINSBEB-UHFFFAOYSA-N 395.450 4.233 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)cc1 33217971 MGAUFKDCBDPTFY-UHFFFAOYSA-N 377.419 4.370 10 40 GICB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCc3cc(OC(F)F)ccc32)c1C 65597271 CTDPCEGQUODMAW-CYBMUJFWSA-N 390.430 4.460 10 40 GICB Cc1ccc(-n2c(C)cc(/C=C3\C(=N)N4N=CSC4=NC3=O)c2C)cc1Cl 2372677 CQYOELOZCRPJDH-CDMRAEPUSA-N 397.891 4.305 10 40 GICB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4959452 MBTPSYGHODMTSU-WFXMLNOXSA-N 377.440 4.476 10 40 GICB Cc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1 408848536 ZOXAJXZNCBVRAE-FMIVXFBMSA-N 391.279 4.133 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)cc1 409346971 OZZYYAFBPJRIAF-DHDCSXOGSA-N 377.874 4.460 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3coc4ccccc4c3=O)SC2=S)cc1 409383606 YAHMUQCSPNRIQO-LICLKQGHSA-N 395.461 4.207 10 40 GICB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)NC3CCCC3)C2=O)cc1 1180636 GGSCOGVZVMPTFS-GHRIWEEISA-N 388.558 4.035 10 40 GICB COc1cc(/C=C2\SC(Nc3cc(C)cc(C)c3)=NC2=O)ccc1OCC#N 10130854 DYEPLSPFARUDSQ-UNOMPAQXSA-N 393.468 4.297 10 40 GICB CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 28288282 ASVVCVHBUZBIOG-UHFFFAOYSA-N 375.472 4.393 10 40 GICB Oc1cc2c(cc1CN1CCCN(c3ccc(C(F)(F)F)cn3)CC1)CCC2 32784162 JWOAOXBODXTWCO-UHFFFAOYSA-N 391.437 4.007 10 40 GICB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccc(Cl)cc3)C(=O)N=C2S1 41083185 VWBVPNMWLGBUNA-ACXWOISZSA-N 397.891 4.406 10 40 GICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1cccc(Cl)c1 58883977 OPLYGVLRNRYKIW-WQRHYEAKSA-N 383.831 4.226 10 40 GICB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)S2)c1 96663403 ATQAZRQFONJFMS-WOJGMQOQSA-N 396.472 4.360 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)C(=O)c1ccccc1C2=O 100368592 IWWKFGWZXLUTNV-BKUYFWCQSA-N 392.414 4.268 10 40 GICB COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)cc1Cl 2437646 LBBKUESSGLMKCR-UHFFFAOYSA-N 383.831 4.300 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2cccc(Cl)c2)S1 4677080 MQOSNWHGQLHJQD-YVLHZVERSA-N 386.860 4.025 10 40 GICB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 5032431 OBYGXGVVUGCSCY-ZJTXEKFPSA-N 393.873 4.274 10 40 GICB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O 9187958 WIQHEHMPLASIFT-YVLHZVERSA-N 393.530 4.246 10 40 GICB COc1cccc(/C=C2/SC(=S)NC2=O)c1OCc1ccc(Cl)cc1 15008869 DCERXOSJJBFKKL-OQLLNIDSSA-N 391.901 4.416 10 40 GICB COc1ccc(/C=C2\C(=O)N(c3cccc(F)c3)C(=S)N=C2O)cc1Cl 23243067 TVJINOJAOASREI-QPEQYQDCSA-N 390.823 4.159 10 40 GICB C[C@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288288 PLJWWFIRBMXWOS-KRWDZBQOSA-N 393.462 4.287 10 40 GICB CCOc1ccc(/C=C2/SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1 35648149 WODAJFUSOURQQH-LICLKQGHSA-N 382.441 4.174 10 40 GICB COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 222411785 HLPFWSVVQWOJLB-QEEYODRMSA-N 382.416 4.447 10 40 GICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408894590 RNHZHJKEJRKPAQ-QIQQCEGHSA-N 392.411 4.029 10 40 GICB COc1cc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)ccc1O 8470745 FGFINRQMHDVGNO-VIZOYTHASA-N 378.812 4.276 10 40 GICB Cc1ccccc1Cn1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c2ccccc21 33458010 XSIXUFYZBKUGOC-ONBPWHQPSA-N 399.479 4.247 10 40 GICB C[C@H](Sc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 52913958 QBAQIKNSBZAUQS-ZETCQYMHSA-N 377.369 4.189 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 225598098 LATXIQIGOZGSGY-KRWDZBQOSA-N 390.524 4.410 10 40 GICB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)c1 408708099 OBVFAWDMACVGSU-LJQANCHMSA-N 387.483 4.394 10 40 GICB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(c1ccc3c(c1)OCO3)CO2 2125039 XZQBARVEUQDEGG-UHFFFAOYSA-N 391.423 4.065 10 40 GICB biogenic CCCCC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O 4903376 IKZCVITWOLNCTJ-IBGZPJMESA-N 379.416 4.244 10 40 GICB COc1ccccc1/C=C1\Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]2C1=O 16958316 QNNDGMQHGWTLRO-YVLHZVERSA-N 397.457 4.406 10 40 GICB COc1ccc(-c2coc3c(CN4CCC[C@H](C)C4)c(O)ccc3c2=O)cc1 20411252 KOPBLZZKBBVHNB-HNNXBMFYSA-N 379.456 4.406 10 40 GICB biogenic COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OCc1ccc(C)cc1 26680979 QCKQQHYYEBAKRL-WQRHYEAKSA-N 385.510 4.414 10 40 GICB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409131219 KHEIEDARKIPRCK-XDHOZWIPSA-N 384.501 4.394 10 40 GICB COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)C[C@H](C)O4)SC2=S)cc1 2225197 JQKQNEODIJTSSE-JFENUBAZSA-N 397.521 4.420 10 40 GICB COc1cc(/C=C\C(=O)NCCCCN=[N+]=[N-])ccc1OCc1ccccc1 8652494 YUZZVUQSQREMCE-BENRWUELSA-N 380.448 4.494 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 35040943 VVLKIMPUZHRCRK-CXUHLZMHSA-N 384.438 4.203 10 40 GICB C[C@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 222653394 CDMRMQPAXXTGJQ-MSOLQXFVSA-N 394.515 4.462 10 40 GICB O=C(N=NC(=O)OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 299888482 LIEOEYTUTSDYKB-UHFFFAOYSA-N 380.826 4.452 10 40 GICB COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4959468 TUVWSTBUSUXFDH-IQUTYRLHSA-N 380.400 4.217 10 40 GICB Cc1cc(C(=O)Nc2ccc(Cn3cncn3)cc2)c(C)n1-c1ccc(F)cc1 24637115 QIHPMMWDMZWRGJ-UHFFFAOYSA-N 389.434 4.125 10 40 GICB O=C1/C(=C\c2ccccc2Cl)SC(=S)N1c1ccc2c(c1)OCO2 1417244 SZRGABQTYFYSOU-VIZOYTHASA-N 375.858 4.475 10 40 GICB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409255451 ZWFJWSKAVLXUOW-OVGFGYAMSA-N 394.496 4.004 10 40 GICB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)cc1 72329011 YDCJOWBNZBMRKB-UHFFFAOYSA-N 392.503 4.252 10 40 GICB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1267990 OWTVMWSELGSNIW-VBKFSLOCSA-N 386.498 4.208 10 40 GICB O=C(O)CCN1C(=O)/C(=C/c2cccc(Oc3ccccc3)c2)SC1=S 2302634 MOQGNPLRXWWHSS-VBKFSLOCSA-N 385.466 4.155 10 40 GICB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5372209 JMYDSNHVYLNASH-MIEVRDIISA-N 375.515 4.478 10 40 GICB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(O)c1O 7884014 GKROTNSZMDPZIO-JOCHJYFZSA-N 390.439 4.182 10 40 GICB O=C1Nc2ccccc2/C1=C/c1nc2ccccc2c(=O)n1CCc1ccccc1 13494746 PXJJZDZMDXJFRG-SILNSSARSA-N 393.446 4.132 10 40 GICB Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1cccc(C(F)(F)F)c1 3849080 YNFVQZXCWZORBV-WCWDXBQESA-N 390.247 4.470 10 40 GICB CCOc1ccccc1N1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S 4690441 MBUJSVDAYGCLDS-WJDWOHSUSA-N 386.454 4.399 10 40 GICB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N(C)C)cc1 36624896 BSKGWQYYDLTLDR-CYBMUJFWSA-N 381.303 4.485 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59435716 AKNVBKQATHAABN-WJDWOHSUSA-N 398.802 4.125 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCCC3)cc2F)C(=O)N1Cc1ccccc1F 4498310 MADWOGRRKWVMPM-UDWIEESQSA-N 397.425 4.048 10 40 GICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408765856 BOGZJHFVYPWTDQ-QIQQCEGHSA-N 392.411 4.029 10 40 GICB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3OC)c2C)C1=O 409251609 UZEKNWCNYJFNPX-MHWRWJLKSA-N 387.867 4.059 10 40 GICB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(Br)cc1 1099960 VCDNQVBJWWSZOS-ZSOIEALJSA-N 393.331 4.345 10 40 GICB CCN1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)SC1=S 6274670 XAZKQNZAXIYJQL-DHDCSXOGSA-N 390.442 4.085 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(c4ccc(F)cc4)CC3)=NC2=O)cc1 9189281 CFWUJBJHCROKMU-HKWRFOASSA-N 395.503 4.181 10 40 GICB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 10113258 RBHXKGZTEKFQPQ-JOCHJYFZSA-N 382.504 4.159 10 40 GICB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(N2CCCCC2)cc1 219559721 RAXWMXHNKNTFDV-HXUWFJFHSA-N 382.504 4.159 10 40 GICB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2240008 YZLFZFALAZYTCI-NTEUORMPSA-N 393.873 4.276 10 40 GICB in-vivo CCCCC(=O)N[C@@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 4903379 QFCCYBSDVVCERY-NRFANRHFSA-N 377.488 4.402 10 40 GICB COc1ccc(C(=O)C2CCN(Cc3c(O)ccc4ccncc34)CC2)cc1 12943963 NRAIRDGKXUXDRF-UHFFFAOYSA-N 376.456 4.044 10 40 GICB COc1ccc2nc3cc(Cl)ccc3c(NCCCNCC[C@H](C)O)c2c1 4748025 RYAXTIKEXIPLPG-AWEZNQCLSA-N 387.911 4.213 10 40 GICB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=N)N2O1 4921806 YKQNRDPMJPAHHM-YKPRPPQLSA-N 380.835 4.198 10 40 GICB CCc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C 5391325 SOHIOWICWRMKMC-UHFFFAOYSA-N 396.443 4.001 10 40 GICB CC1CCN([C@@H](c2ccc(N(C)C)cc2)c2nnnn2C2CCCCC2)CC1 4847685 UEJUBCPLBNZMBW-NRFANRHFSA-N 382.556 4.066 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O 12548848 INJOHHCAUJSBDY-BOPFTXTBSA-N 393.493 4.023 10 40 GICB COC(=O)c1c(N/C=C2/C(=O)N(c3ccccc3)N=C2C)sc2c1CCCC2 102580626 IXNMHIXITSDDEX-FOWTUZBSSA-N 395.484 4.132 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)cc1 408900123 RQPIEURPLYPRMK-RCCKNPSSSA-N 382.419 4.328 10 40 GICB CCCCC(=O)N[C@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O 2921376 YUDOINUASGGSLQ-LJQANCHMSA-N 379.416 4.244 10 40 GICB CC(C)CC1=NN2C(=N)/C(=C/c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 4525894 MJZKIHHYDNXGPX-RLZKIPSQSA-N 397.287 4.364 10 40 GICB CCCCOC(=O)CCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S 6359224 RHWSTNZSAHNRGX-DTQAZKPQSA-N 377.531 4.184 10 40 GICB O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccc(O)cc1 6584138 OXJQXYAFAMKZIN-JLJGJNDSSA-N 384.438 4.262 10 40 GICB COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 6721757 FFWLQISPOPZIPC-WMZHIEFXSA-N 387.439 4.347 10 40 GICB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccco1 112120728 HOXJIODXTQGOCX-AQTBWJFISA-N 380.473 4.456 10 40 GICB CCO[C@H](C)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1 199928813 YXEVMRSTXLNHQX-OAHLLOKOSA-N 387.560 4.162 10 40 GICB COc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260766116 JASAKRMAVDZIMO-IPHXSNPTSA-N 394.544 4.280 10 40 GICB COCCN1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 26965380 ZDONDGOHJWCTTG-GDNBJRDFSA-N 379.890 4.448 10 40 GICB CCOC(=O)CCCCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 32701750 BLVXRTLKKCLMIO-DTQAZKPQSA-N 377.531 4.320 10 40 GICB COc1cc(/C=C2\SC(Nc3cc(C)ccc3C)=NC2=O)cc(OC)c1OC 8410880 VMDVAGHHMUOOEW-WQRHYEAKSA-N 398.484 4.412 10 40 GICB CCOc1ccccc1/C=C1\C(=O)N(c2cccc(C)c2)C(C)=C1C(=O)OC 408798597 VXWXKVNLIOIAOQ-RGEXLXHISA-N 377.440 4.271 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)CSc3nc(C(C)C)n[nH]3)c2C)cc1 5931851 UXDDBXPODBVIJH-UHFFFAOYSA-N 384.505 4.319 10 40 GICB CCn1cnc2cc(NCc3ccc(OC)c(OC[C@@H]4CCCO4)c3)ccc21 19578310 ZGPIYZONSRKZJD-SFHVURJKSA-N 381.476 4.235 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)ccc1C 409347766 REBJTZANCKJXPN-CAOOACKPSA-N 385.466 4.138 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1O 5374188 UOEQGWLAQNLCIM-AUWJEWJLSA-N 391.857 4.150 10 40 GICB Cc1ccc(C)c(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1 34690846 ZWKTUZBLXYZXKU-STZFKDTASA-N 385.467 4.172 10 40 GICB COc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 96006222 BKVJDXRLWJAQRT-LPMFXHHGSA-N 397.387 4.347 10 40 GICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C2=O)c1 409010485 KQWKHARPZMDYLG-LDADJPATSA-N 390.370 4.061 10 40 GICB O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 4106748 NNFVNTKHCLQXMJ-UYRXBGFRSA-N 381.863 4.033 10 40 GICB Cc1cccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@H]3C=CC[C@@H]32)c1 4623598 MRNCWLHCXNCXOA-SPEDKVCISA-N 376.456 4.026 10 40 GICB O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccnn1C1CCCC1 9672222 OAIPXBPQIPOTNZ-UHFFFAOYSA-N 375.885 4.259 10 40 GICB CCOc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)ccc1OC(F)F 96288908 VUCZTNDKPBNMTB-XNTDXEJSSA-N 382.432 4.189 10 40 GICB CCN(CC)c1ccc(N/C=C2\C(=O)N(C3CCCCC3)C(=O)N=C2O)cc1 102693826 XWKCUXNJDHXGFJ-JXAWBTAJSA-N 384.480 4.080 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@@H]3C=CC[C@H]32)cc1 409167255 HRAHXOUTRNYOAV-LZJOCLMNSA-N 377.440 4.395 10 40 GICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F 222738756 VCARDRRBUMKDHQ-PMACEKPBSA-N 380.492 4.231 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 222809432 WASLMISPPKOBFP-LEWJYISDSA-N 392.528 4.182 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 5235957 RCDBBJPBQSEPRG-ATVHPVEESA-N 395.509 4.015 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10887953 VSMQBHFGSDXZRS-UHFFFAOYSA-N 387.483 4.373 10 40 GICB COc1ccc2c(c1)CCCN2CC(=O)N[C@@H](c1ccccc1)c1cccs1 11419838 OSCCUCKMJNMTQU-QHCPKHFHSA-N 392.524 4.415 10 40 GICB O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)nc1Cl 13629950 AXAQKIHHPAIKTN-UHFFFAOYSA-N 397.217 4.416 10 40 GICB COc1ccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)C[C@@H]2C)cc1 13758564 OXXRKQDODAAULS-INIZCTEOSA-N 387.487 4.143 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1 102570471 RSTSPQARZLWBCP-SFQUDFHCSA-N 389.367 4.367 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H]1CC(c2ccccc2Cl)=NO1 141580079 NPFYHBFADBCNDG-NRFANRHFSA-N 397.906 4.140 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)O)SC2=S)c(C)c1 210432035 GIDZQNDYIFKOOZ-YVLHZVERSA-N 399.493 4.173 10 40 GICB CCOC(=O)c1sc(N2N=C(C)/C(=C\c3ccc(CC)s3)C2=O)nc1C 4544909 WSMHPRMEDRPFQM-NTEUORMPSA-N 389.502 4.058 10 40 GICB COc1ccc(Cl)cc1-n1cccc1/C=C1/C(=N)N2C(C)=CSC2=NC1=O 4909212 IICFWQBSIOMJBN-PBGDOYKQSA-N 398.875 4.306 10 40 GICB CCCCc1ccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)cc1 5373311 KHMVSNPLRHUHDT-HNENSFHCSA-N 391.496 4.458 10 40 GICB COc1ccccc1C(=O)COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 7779568 AHANDUQPXHEEGR-UHFFFAOYSA-N 377.440 4.451 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc(Cl)cc2)C1)CCC3 12321059 LHAUFLMPFNUHLS-MRXNPFEDSA-N 394.858 4.388 10 40 GICB Cc1cc(C(=O)[C@H](C)SCCC(=O)O)c(C)n1-c1ccc(OC(F)F)cc1 12639489 OQSITDJZBQDSPE-ZDUSSCGKSA-N 397.443 4.475 10 40 GICB Fc1ccccc1-c1nnc2ccc(NCc3ccc(N4CCCC4)cc3)nn12 57138402 GHLIOVBCVIUUCC-UHFFFAOYSA-N 388.450 4.143 10 40 GICB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1C 112123575 SYIJMYRSBUZCAA-QNGOZBTKSA-N 395.434 4.094 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC 225690090 KXACXDRXOFZTSO-MRXNPFEDSA-N 399.560 4.427 10 40 GICB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN[C@@H](CC(C)C)C(=O)O 4540332 WUDBIORGCCUMQZ-SFHVURJKSA-N 395.455 4.063 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc(OC(C)=O)cc3)SC2=S)cc1 409338667 NZTGCGDJNCSXIC-BOPFTXTBSA-N 385.466 4.026 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1cccs1 103918606 GUBIJJRNPPXRQK-HKWRFOASSA-N 383.517 4.366 10 40 GICB CCCCN(C)C(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 19809338 SOVKRGMGRQVHRJ-FQEVSTJZSA-N 386.923 4.231 10 40 GICB NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1Cc1ccccc1 44085461 WWRSCQDAUKCACF-UHFFFAOYSA-N 392.311 4.483 10 40 GICB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 8205914 DSISJFIYTZKMCE-XNTDXEJSSA-N 391.445 4.152 10 40 GICB C[C@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288296 VEPZZASHXXLMOG-KRWDZBQOSA-N 393.462 4.287 10 40 GICB O=[N+]([O-])c1ccc(N2CCCCC2)c(CNCCCSc2nccs2)c1 72289950 NQEKWTRBOXGKIV-UHFFFAOYSA-N 392.550 4.314 10 40 GICB O=C(CSc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1)Nc1ccccc1 924843 RWWVJRRWMJUIFZ-IBGZPJMESA-N 393.512 4.460 10 40 GICB CCc1cc2c(C)cc(=O)oc2c(CN(C)Cc2ccc(OC)c(F)c2)c1O 32719967 WBYBTBNJBAFSLR-UHFFFAOYSA-N 385.435 4.149 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C(O)=NC1=S 59182260 YTFOGGNPVIREHN-WOJGMQOQSA-N 381.501 4.198 10 40 GICB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc(Br)c1 408820090 VBALPXDYUHQDDH-AUWJEWJLSA-N 377.263 4.181 10 40 GICB COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4cc(C)ccc34)C[C@H]2C)cc1 35369259 BFQWOLHEPDGCJY-QGZVFWFLSA-N 391.515 4.187 10 40 GICB CC1CCN(C(=O)Cn2cc(/C=C3/C(=O)Nc4ccccc43)c3ccccc32)CC1 4168766 WXCXMQOGLQZPAA-KGENOOAVSA-N 399.494 4.393 10 40 GICB CCOc1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)ccc1OC(C)=O 13517241 AVIHRKZFYMGWFH-ZDLGFXPLSA-N 398.846 4.470 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccccc1 408768063 HTCRGZYMQDUSIF-ATVHPVEESA-N 398.256 4.326 10 40 GICB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1OC 408969565 QDVKPXFGVYOJBC-PTNGSMBKSA-N 390.361 4.442 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3sccc3C)C(C(=O)OC)=C2C)cc1 631847 QROAIIPKPANVRW-ATVHPVEESA-N 383.469 4.332 10 40 GICB O=C(O)CCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S 15034378 DIGNDECBCKLDAO-YFHOEESVSA-N 376.286 4.059 10 40 GICB Cc1ccc(N2C[C@@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2SCCC3)cc1 4086737 BRRDPSLITZSJOY-LJQANCHMSA-N 394.347 4.473 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 225598131 LATXIQIGOZGSGY-QGZVFWFLSA-N 390.524 4.410 10 40 GICB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c1 16692809 CQWWDDUTOPGATJ-MHWRWJLKSA-N 375.446 4.249 10 40 GICB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1C(=O)c1cccnc1 5580199 BHDBSQMIGNPXLW-MLPAPPSSSA-N 395.292 4.430 10 40 GICB CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 15502950 KWRIXLFHUQNKHU-DENIHFKCSA-N 379.504 4.278 10 40 GICB COCCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccccc1 44085886 ZMNHWKAKBAWRRM-UHFFFAOYSA-N 381.501 4.236 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(CN3CCCCCC3)C2=O)cc1 59488426 NSLQBCNYXDFJER-LGMDPLHJSA-N 376.547 4.120 10 40 GICB O=C(NCc1ccccc1O)c1ccc(SCc2cn3ccccc3n2)cc1 58244772 QFURXOTZFFTTJX-UHFFFAOYSA-N 389.480 4.262 10 40 GICB Cc1cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c(C)n1-c1ccccc1 16046705 KLJDUTGVKURNLP-JOCHJYFZSA-N 388.467 4.271 10 40 GICB O=C1c2ccccc2-c2onc3c(Oc4ccc(F)cc4)cc(NCCO)c1c23 6661923 DWVJRPDTNJGBSW-UHFFFAOYSA-N 390.370 4.375 10 40 GICB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408979898 SXXXVYJJNYAMLG-UNOMPAQXSA-N 389.407 4.011 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 4425597 WXBPHVRHBYPNJB-TXQCQQFXSA-N 399.493 4.112 10 40 GICB COc1cc(O)c(CN2CCC[C@@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 13623870 OKRRRPUAENUYAD-OAHLLOKOSA-N 379.456 4.406 10 40 GICB biogenic CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(C)cc3)C2=O)c2ccccc21 5033074 LIHQDHFWDXOXLH-CPNJWEJPSA-N 387.439 4.231 10 40 GICB CN(Cc1ccc(N(C)C)cc1)C(=O)CSc1ccc(Br)cc1 15403963 LHCSNXODKBWDCD-UHFFFAOYSA-N 393.350 4.266 10 40 GICB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)OC)cc1)N2 1461854 MBTPSYGHODMTSU-DBXWQHBBSA-N 377.440 4.476 10 40 GICB O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 4689928 KXBALNFAYVHLCK-QFIPXVFZSA-N 389.455 4.224 10 40 GICB CCN(CC)c1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 4735540 VHAHUFPKRVMFMV-NRFANRHFSA-N 390.487 4.344 10 40 GICB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Br)cc1 15008347 QZMZVHSTKVMJDI-UKTHLTGXSA-N 377.288 4.250 10 40 GICB CN(C)c1ccc(CNC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1 32741129 RVJDGAJZUSQYIY-UHFFFAOYSA-N 394.496 4.182 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 100208027 ZXFOEGBUDHWJNY-UYRXBGFRSA-N 392.411 4.171 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O 5372024 IFSJZEIFYOVVIR-MFOYZWKCSA-N 385.466 4.009 10 40 GICB Cc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccccc2)C(=O)N=C1S 8741246 SNUCGGXRUJAODS-JXAWBTAJSA-N 387.464 4.028 10 40 GICB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 10213914 JMLYQOXJKVPBOF-HXUWFJFHSA-N 377.488 4.138 10 40 GICB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cc(C(C)C)ccc2O)CC1 12344835 LOUWQIIPJYQYQM-UHFFFAOYSA-N 384.495 4.282 10 40 GICB CCCC12CN3CC(CCC)(CN(C1)C3c1c(O)ccc3ccccc13)C2=O 19323924 NCCRYCXZZZTPHV-UHFFFAOYSA-N 378.516 4.331 10 40 GICB biogenic COc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc(OC)c1O 35618628 RXRUWXQSMUJUHM-LFIBNONCSA-N 380.444 4.242 10 40 GICB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc([N+](=O)[O-])c1 59417977 PEIFKYUXWDRSNU-PXNMLYILSA-N 381.438 4.482 10 40 GICB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1cccc2ccccc12 408892569 IJZKQMWHBCVSPR-BKUYFWCQSA-N 384.435 4.108 10 40 GICB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C/c1c(F)cccc1Cl 408893374 MTEXNZJCOJMIHL-RVDMUPIBSA-N 377.843 4.484 10 40 GICB CCc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)c(O)c(OC)c3)S2)cc1 5695240 MDHXRSDCPWIQIZ-GZTJUZNOSA-N 384.457 4.054 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 6349595 OXJOGPDVJHEHMX-WXUZMHMZSA-N 395.463 4.262 10 40 GICB Cc1ccccc1[C@@H]1Nc2ccc(C(=O)NCCC(=O)O)cc2[C@@H]2C=CC[C@@H]21 103020665 ZWIATWQRWNERTL-FGSXEWAUSA-N 376.456 4.026 10 40 GICB Cc1cccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1C 107891412 FMVXREBSGRKOAF-STZFKDTASA-N 385.467 4.172 10 40 GICB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1c(Cl)cccc1Cl 59435756 ROOXPFIYTGYPFQ-ZROIWOOFSA-N 392.238 4.459 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)cc1 13722717 SQRPXCQCGHHJES-LICLKQGHSA-N 379.466 4.044 10 40 GICB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(O)c(O)c2)CS3)cc1 5111709 XBJPFSLYNLYOET-UHFFFAOYSA-N 380.473 4.012 10 40 GICB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3F)C2=O)cc1 4676044 MPUJMURFQJGJQC-FYJGNVAPSA-N 393.462 4.217 10 40 GICB COC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)c1 32109833 KPUZPGYNXHZXDU-WQRHYEAKSA-N 398.484 4.325 10 40 GICB Cc1ccccc1NC(=O)[C@@]1(c2ccc(N(C)C)cc2)CC(=O)N1c1ccccc1 5452090 VVKDLOOBOUUOGU-VWLOTQADSA-N 399.494 4.332 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)Nc3cccs3)N3CCCC3)ccc21 36705358 HSTIWLOGMNLBDJ-LJQANCHMSA-N 384.549 4.089 10 40 GICB CCOc1ccc(NC2=NC(=O)/C(=C/c3ccc(OC)c(OC)c3)S2)cc1 1469851 LHUJMSZZUNYCOK-PDGQHHTCSA-N 384.457 4.185 10 40 GICB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 5003617 HJWLDXYEOZUPBN-HXUWFJFHSA-N 387.524 4.284 10 40 GICB COC(=O)CS[C@@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 21141313 XULMYMHBPQPFAK-ZDUSSCGKSA-N 397.443 4.173 10 40 GICB COc1ccc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] 33313213 QRGKEIFXCWMQCA-GDNBJRDFSA-N 378.475 4.137 10 40 GICB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 2261779 AFFGHMHKALWNGZ-LGMDPLHJSA-N 382.510 4.225 10 40 GICB Cc1cc(C(=O)Cn2nc3c(cc2=O)CCCC3)c(C)n1-c1ccc(Cl)cc1 9378780 DUZMVJJEYCVTFP-UHFFFAOYSA-N 395.890 4.066 10 40 GICB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccn1 12545983 BGMHVQWCWLUFAS-OAHLLOKOSA-N 397.862 4.327 10 40 GICB C[C@H]1CN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 13060359 AANABLUNKXOBFF-LAPQFRIASA-N 383.879 4.187 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(O)c1 408770117 SXKLFZFFEXKCEB-PDGQHHTCSA-N 383.831 4.313 10 40 GICB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 2407975 HOZBOKULBIBXQK-CWUSKICSSA-N 399.479 4.496 10 40 GICB CN(C)c1ccc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)cc1 7586198 NFRZKQHEZMNPOF-SDNWHVSQSA-N 385.389 4.426 10 40 GICB CC1=CN2C(=N)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 33893174 YEMYMIBPBJHWDQ-LCBVWSOUSA-N 380.385 4.022 10 40 GICB CN(C)c1ccc2c(c1)OCCN2C(=O)c1csc(-c2ccc(F)cc2)n1 72303727 RTPLOQDBWPPAKL-UHFFFAOYSA-N 383.448 4.054 10 40 GICB Cc1ccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1 4536576 OWTVMWSELGSNIW-FOWTUZBSSA-N 386.498 4.208 10 40 GICB Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc2ccccc2c1 33365784 HOZBOKULBIBXQK-FNYLDBEHSA-N 399.479 4.496 10 40 GICB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1Br 33735313 GULPBBLTDOUWGK-PTNGSMBKSA-N 390.277 4.064 10 40 GICB Cc1ccc(OCCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1 19798559 LVTNFRBFFDRXAT-AQTBWJFISA-N 385.510 4.332 10 40 GICB COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)cc3Cl)CC2)cc1 44598400 YEIKYVGXGBMPHR-UHFFFAOYSA-N 393.314 4.283 10 40 GICB COC(=O)c1cc(C)n(-c2cc(Br)ccc2Br)c1C 223718774 ADHWBCDIXONHLE-UHFFFAOYSA-N 387.071 4.406 10 40 GICB CCN(CC)Cc1c(O)ccc2c(C)c(-c3cc(OC)ccc3OC)c(=O)oc12 4085063 QQBAQBMSRRCQSW-UHFFFAOYSA-N 397.471 4.333 10 40 GICB biogenic CCc1cc(=O)oc2c(C)c(O)c(CN(C)C[C@@H]3CCCN4CCCC[C@@H]34)cc12 1565520160 NMRPWGZCNJVZND-RXVVDRJESA-N 398.547 4.066 10 40 GICB biogenic CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)C(C(=O)OC)=C1C 6418176 MRZHMOALJRWYHU-MOSHPQCFSA-N 392.499 4.403 10 40 GICB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 5195490 OXJOGPDVJHEHMX-JNADWCBDSA-N 395.463 4.262 10 40 GICB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(O)c(O)c2)cc1 7884043 SNUIJDNHIFWDJL-NRFANRHFSA-N 376.412 4.268 10 40 GICB CC(C)(C)c1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(C(C)(C)C)c1O 108893220 CYBHBYYTCKPTNI-ATVHPVEESA-N 392.499 4.449 10 40 GICB O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1C[C@@H]1CCCO1 12562727 BVFZGKDEIXKGDQ-SGTLLEGYSA-N 393.270 4.445 10 40 GICB O=C1NC(=S)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12604668 ZQYBBLCXKLDTNY-YBEGLDIGSA-N 381.457 4.167 10 40 GICB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2cn(C)c3ccccc23)S1 20226943 NAQYCNHRCXWHSL-VCHYOVAHSA-N 391.452 4.267 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccnc4ccccc34)SC2=S)c1 9422873 RFVKHJUOTPTVNH-BOPFTXTBSA-N 392.461 4.339 10 40 GICB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccc(O)cc1 4575371 CIVCREUNSOUETL-HKWRFOASSA-N 378.497 4.317 10 40 GICB CCN(CC)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 4817421 HDYZCQXKVIPLLB-MIFWMJNYSA-N 389.543 4.478 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c1 5371313 LPYOALZOOZIMPO-SXGWCWSVSA-N 385.466 4.108 10 40 GICB Cc1ccc(/C=C2/C(=N)N3C(SCc4ccccc4)=NSC3=NC2=O)o1 30735470 JSOXXPPLEZKRDS-PYDVBCTCSA-N 382.470 4.098 10 40 GICB CCN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=S 6418186 NIBGWCOXQLBECQ-UVTDQMKNSA-N 393.331 4.461 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1sccc1C 13402105 PKIPQJKMCWEDTJ-ATVHPVEESA-N 383.469 4.332 10 40 GICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCOc1ccccc1OC 103918621 ODWIMTUVLYQKIG-XLNRJJMWSA-N 393.487 4.141 10 40 GICB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(F)c1 5234203 QUNCPCTUDYGPJM-RVDMUPIBSA-N 390.461 4.039 10 40 GICB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccccc1C(F)(F)F 6050334 RBNINMNDMXJUCE-PTNGSMBKSA-N 379.378 4.321 10 40 GICB Cc1cc(C(=O)COC(=O)c2ccc(Cl)nc2)c(C)n1-c1ccc(F)cc1 6414972 CSSRBJIRZPBBQS-UHFFFAOYSA-N 386.810 4.321 10 40 GICB CCc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)O)c3ccccc3)C2=O)cc1 12032581 HIKXXRMIYBENDB-TXQCQQFXSA-N 383.494 4.276 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2cccc(F)c2)CCOCC1 19662163 PFACWZGEBYSLAE-UHFFFAOYSA-N 396.506 4.181 10 40 GICB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(F)c(F)c(O)c(F)c2F)cc1 95971196 SCAKNMNMSNMJRG-MRVPVSSYSA-N 377.359 4.263 10 40 GICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1Cl 408799847 IKOSSWIFTJBVJA-RVDMUPIBSA-N 398.846 4.104 10 40 GICB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1cccc(F)c1 1263857 HAAPMFBRWYGDNO-BAGULLTOSA-N 398.484 4.222 10 40 GICB Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc1 12363656 JWTMVLFKGRIQES-JYRVWZFOSA-N 391.279 4.133 10 40 GICB CN1CCc2cc([C@H](CNC(=O)c3ccccc3Cl)N3CCCCC3)ccc21 13007763 QTVMSGQIXVNSPY-QFIPXVFZSA-N 397.950 4.289 10 40 GICB Cc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)c1C 20037198 ICDAUIOGWOOXJP-ZJNHSXOMSA-N 376.485 4.488 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 35040941 AFZQEFKGYBPTRR-MHWRWJLKSA-N 384.438 4.203 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)ccc1O 5673261 NGOCTUOUHQSUCP-YVLHZVERSA-N 389.473 4.331 10 40 GICB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 54360601 AFPOCWRIFSKKEV-GRRFOWRYSA-N 391.445 4.150 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)cc1 408804467 AERIZGYKXSGCBH-GZTJUZNOSA-N 398.846 4.102 10 40 GICB CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2OC)SC1=S 409008372 XNCAGFRTTIWQFC-YHYXMXQVSA-N 392.727 4.332 10 40 GICB COc1ccc(-c2ccc(CCC(=O)O)n2-c2cc(OC)ccc2OC)cc1 920195 SJUMAGYDNWCVQP-UHFFFAOYSA-N 381.428 4.187 10 40 GICB O=C(NCc1ccccc1Cl)c1nc(-c2ccc(-n3cccc3)cc2)no1 4707476 HKGHQKLILDUMAA-UHFFFAOYSA-N 378.819 4.111 10 40 GICB Cc1ccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)cc1 13942208 YJVWAXJYVRPXEB-AQTBWJFISA-N 385.510 4.284 10 40 GICB Cc1ccccc1OCCOc1ccccc1/C=C1\SC(=S)N(C)C1=O 13897456 SQMYABJNTFSLFB-AQTBWJFISA-N 385.510 4.284 10 40 GICB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2cc(F)cc(F)c2)cc1 43277735 NYLCKXYAAPOCQQ-UHFFFAOYSA-N 384.474 4.320 10 40 GICB CC(=O)Nc1ccc(/N=N\c2ccc(N)c3cc(S(=O)(=O)O)ccc23)cc1 104366823 VXEIJMQIXOIRFD-DQRAZIAOSA-N 384.417 4.043 10 40 GICB COc1cc(OC)c(/N=N/c2[nH]cnc2C(=O)Nc2ccc(C)cc2)c(OC)c1 6160872 SHZVQEDREACAKA-OCOZRVBESA-N 395.419 4.412 10 40 GICB COc1ccc2nc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)ccc2c1 9419790 USGZEWBZSCBDEU-WOJGMQOQSA-N 394.477 4.355 10 40 GICB Ic1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@@H]1CC=C[C@H]21 33401422 ZMAYSCPWRLHCTG-CUFDPUGPSA-N 375.253 4.444 10 40 GICB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccc(N4CCCCC4)cc3)cc2)n1 35317114 HLJWZNXCQWJINZ-UHFFFAOYSA-N 388.515 4.409 10 40 GICB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC 217879727 SAFIEBZLHUHODZ-SJORKVTESA-N 382.504 4.431 10 40 GICB CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=N/N1CCc2ccccc2C1 2271330 CZFNXJMEXZWRLC-WCWDXBQESA-N 378.432 4.410 10 40 GICB CCCCOC(=O)CCCN1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5370682 ZJGZCVZZADIWGS-SSZFMOIBSA-N 393.530 4.020 10 40 GICB O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1Nc1nc2ccccc2s1 14904663 CLEHGQGKTXQPIE-ZROIWOOFSA-N 385.495 4.230 10 40 GICB Cc1cc(N2CCOCC2)ccc1[C@@H]1Nc2cc(Cl)ccc2-c2ccnn21 30952911 FLYSPJBZRMUGBW-OAQYLSRUSA-N 380.879 4.321 10 40 GICB COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)ccc1O 4040404 NQVUUYKCIYGUES-MBSDFSHPSA-N 394.471 4.230 10 40 GICB biogenic CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5374266 BUZOMOAELBKRSW-IFPOBAOFSA-N 375.515 4.333 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccc4ncccc4c3)SC2=S)cc1 9419370 OITIMUUXEOUGLE-GZTJUZNOSA-N 392.461 4.339 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)c1 13653905 POYJRUPVDMYAKX-WJDWOHSUSA-N 392.461 4.339 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3cccn3C(C)(C)C)C(O)=NC2=S)cc1 32116819 NOIXXJZIZSIJOZ-GHRIWEEISA-N 381.501 4.477 10 40 GICB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@H]2CCN(CC(F)(F)F)C2)c1 61582672 VUTBFPSMOMYISB-AWEZNQCLSA-N 399.844 4.114 10 40 GICB CCCCC1=NN2C(=N)/C(=C/c3cccn3-c3cccc(F)c3)C(=O)N=C2S1 13280958 VJUDQOCHTKUYHQ-DXGGMCDASA-N 395.463 4.426 10 40 GICB CN(C)c1ccc(/C=C/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 4817307 SVBAOQYJKKLVCS-FYQZGWMPSA-N 387.527 4.336 10 40 GICB CN1CCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCCCC3)ccc21 13007675 WACJVAOQWCWOSS-QFIPXVFZSA-N 397.950 4.289 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c(OC)c1 35040399 OPCUXTOLMUZXLE-CXUHLZMHSA-N 375.446 4.249 10 40 GICB N=C1/C(=C\c2ccc(Cl)cc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN12 1249950 ZZVCMOMWNNFLFK-NTIVDCSDSA-N 393.177 4.175 10 40 GICB CN(C)Cc1cc(Cl)cc(Cc2cc(Cl)cc(CN(C)C)c2O)c1O 1671245 REEOIFCSJWJBJO-UHFFFAOYSA-N 383.319 4.119 10 40 GICB CCN1C(=O)/C(=C\c2ccc(C)s2)C(=O)N(c2ccc(Cl)cc2)C1=S 4472193 BCFFXBFWIRKSEP-XNTDXEJSSA-N 390.917 4.274 10 40 GICB CSC1=NSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=N)N12 4761538 NRARIZRHQNVPSK-YERBQUFUSA-N 395.513 4.034 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1cccc(C)n1 103917471 FLDQAFKRBZOUNJ-RGEXLXHISA-N 379.420 4.187 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408768713 JXQVMODUEVHILU-UNOMPAQXSA-N 392.411 4.089 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@@H]3C=CC[C@@H]32)cc1 409164757 NKOWDBNVUZTKNG-LQWHRVPQSA-N 377.440 4.395 10 40 GICB COc1cccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)c1 6811732 CMRWROXCXJHLST-UHFFFAOYSA-N 392.455 4.128 10 40 GICB Cc1cc(C(=O)CN2CCc3sccc3C2)c(C)n1-c1ccc2c(c1)OCO2 58160899 HZDAFUKBCNUQRQ-UHFFFAOYSA-N 394.496 4.125 10 40 GICB COc1ccccc1/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 83318962 ODAPVPZGHLNHAX-HMMYKYKNSA-N 399.406 4.438 10 40 GICB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 105413652 TVWZWGGSJHBBTQ-UXBLZVDNSA-N 397.259 4.096 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 408891873 DMAKQABEHXJGFK-ZHZULCJRSA-N 377.440 4.271 10 40 GICB O=C(N[C@@H](c1ccc2c(c1)OCO2)c1ccc2cccnc2c1O)c1ccccc1 1204075 IQPSMMFOEYJSBP-NRFANRHFSA-N 398.418 4.189 10 40 GICB CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 7621600 OJANONNRUAXHBJ-LFIBNONCSA-N 385.470 4.067 10 40 GICB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C2=O)cc1 59105142 YFFGSWXBTKQLTD-RGEXLXHISA-N 389.455 4.410 10 40 GICB O=C(Nc1ccc(C(=O)C(=O)c2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 4892444 RIDBEQSUFYJUFS-UHFFFAOYSA-N 389.367 4.304 10 40 GICB CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OCc1ccc(F)cc1 5718551 VXCMACFFTOFAEB-LICLKQGHSA-N 389.473 4.292 10 40 GICB O=C(C[C@H](C(=O)O)N1CCCCC1)Nc1ccc(/N=N\c2ccccc2)cc1 101090831 ARBNKZFKGXIRPO-QNBCRBJRSA-N 380.448 4.370 10 40 GICB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)ccc1OC(C)=O 409346918 OSJUQSYMWYDUOS-GZTJUZNOSA-N 391.514 4.154 10 40 GICB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1cccc(F)c1 1346183 LYAVWXPPSFGSPZ-UHFFFAOYSA-N 396.403 4.262 10 40 GICB CC(=O)Oc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)cc1 3844577 TTZWVTFCJXWKQV-FMQUCBEESA-N 386.385 4.133 10 40 GICB O=S(=O)(Nc1ccc(O)c(Br)c1)c1ccc2ccccc2c1 944051 ZJCHFNKIRWOXLU-UHFFFAOYSA-N 378.247 4.109 10 40 GICB COc1ccccc1C(=O)N1c2cc(CN(C)C)c(O)cc2[C@@H](C)CC1(C)C 70666542 MSDOWGCJYXQEGG-HNNXBMFYSA-N 382.504 4.395 10 40 GICB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 408803528 QDAYPSQAWUPUEI-MHWRWJLKSA-N 398.846 4.102 10 40 GICB Cc1cc(NC(=S)NCCN(C)c2ccccc2)ccc1Br 225570780 VRUXXNNWFRZRJC-UHFFFAOYSA-N 378.339 4.180 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 225373897 UCXFOZQIFUZBJE-IBGZPJMESA-N 392.543 4.497 10 40 GICB COCCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 2282581 RCQWTHUXGDCZQA-GDNBJRDFSA-N 379.890 4.448 10 40 GICB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5374265 BUZOMOAELBKRSW-IVCJPEPXSA-N 375.515 4.333 10 40 GICB COc1ccc(-n2c(C)cc(CNCc3ccc(CN(C)C)cc3)c2C)cc1 7736241 AJJRHQGMKZXYKY-UHFFFAOYSA-N 377.532 4.454 10 40 GICB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 36092607 OBYGXGVVUGCSCY-PFMRQGHBSA-N 393.873 4.274 10 40 GICB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1 58865612 BMHMSFLNJMPLGP-UHFFFAOYSA-N 378.424 4.409 10 40 GICB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\Nc1ccc(O)cc1 408529011 GTDYQCQMEBMIKA-YBEGLDIGSA-N 386.249 4.182 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)ccc1O 1307498 JODHEPSOPJRJBT-CXUHLZMHSA-N 375.446 4.336 10 40 GICB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 5371544 ZTHFODWBNFASJI-CCAPLTMGSA-N 388.514 4.023 10 40 GICB CCc1ccc(/C=C2\SC(=S)N([C@H](Cc3ccccc3)C(=O)O)C2=O)cc1 5373533 OXUCVRLBKMPSJX-GFWHJHDHSA-N 397.521 4.146 10 40 GICB O=C1N=C(O)/C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(Cl)c(Cl)c1 38170659 VRLOYLVADJJYMF-GHXNOFRVSA-N 377.183 4.206 10 40 GICB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 225330329 MOPXLPDMLRAXMA-UHFFFAOYSA-N 393.314 4.079 10 40 GICB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(Cl)c2)C1=O 408814634 ZMPNQNGKBUTTSF-LFIBNONCSA-N 398.846 4.104 10 40 GICB Nc1c(N2CCCC2)cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O 5451781 QDPRNVUCZSIGLO-UHFFFAOYSA-N 383.451 4.388 10 40 GICB CCCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@H](C)C3)=NC2=O)cc1 18167496 YLGIAGJWGFCVSN-GOMUQIMISA-N 388.533 4.335 10 40 GICB CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 33924107 JYRISJDZXKSIOQ-SFQUDFHCSA-N 399.493 4.136 10 40 GICB Cc1nc(NC(=O)[C@@H](C)N2CCCc3cc(OC(F)F)ccc32)sc1C 65597642 IOGUWTONJMINBV-LLVKDONJSA-N 381.448 4.141 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccccc1I 408550791 JYVZDBPLJCFXAI-RVDMUPIBSA-N 388.208 4.097 10 40 GICB CCOc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 3316846 MUGXBXBJPPONBC-UHFFFAOYSA-N 392.455 4.288 10 40 GICB CC1=NN2C(=NC(O)=C[C@@H]2c2ccccc2)N=C1/C=C/c1ccc(N(C)C)cc1 5735245 FORGHULRCDUSAG-QGFLDLQWSA-N 385.471 4.409 10 40 GICB O=C(Nc1cccc2cnccc12)N(Cc1ccccc1O)C[C@@H]1CCCO1 47325358 XOPXUTMKELPGCV-SFHVURJKSA-N 377.444 4.154 10 40 GICB O=C1/C(=C/c2cnc3ccccc3n2)SC(=S)N1CCc1ccccc1 54361198 QZTMODQFHJXKAL-PDGQHHTCSA-N 377.494 4.074 10 40 GICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NNc1cc(Cl)ccc1Cl 97944364 MVJBZNNZUKNAEG-ZROIWOOFSA-N 379.222 4.356 10 40 GICB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@@H]21 409160486 QECQYVUFVPTCPJ-TYILLQQXSA-N 382.416 4.447 10 40 GICB CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(Cl)cc2Cl)S1 4461887 CILCXIBXMXFMLZ-VZUCSPMQSA-N 376.286 4.260 10 40 GICB COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2C)c1 36397441 GQQOHGVFYMNBIJ-UHFFFAOYSA-N 377.444 4.313 10 40 GICB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2)C1=O 408802805 HRCRBQMIOMVGDP-SFQUDFHCSA-N 398.846 4.104 10 40 GICB Cc1cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)n1-c1ccccc1 3355311 UIJWZQLPVZOUDI-UHFFFAOYSA-N 384.413 4.104 10 40 GICB O=C(CCN1C(=O)/C(=C/c2ccccc2F)SC1=S)Nc1ccccc1 4159195 QTDBYIAXVXGJHK-VBKFSLOCSA-N 386.473 4.056 10 40 GICB CCOC(=O)/C(=C/c1cccs1)C1=NC(=O)/C(=C/c2cccs2)S1 5457031 CDYFVPZFIJJCBY-ITAGJCAXSA-N 375.496 4.469 10 40 GICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(Br)cn1 95481259 KIZFLXMZTGKJFW-YBEGLDIGSA-N 385.265 4.179 10 40 GICB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)C=[N+]=[N-])[C@@]4(C)CC[C@H]32)C1 4104880 VZJASVVRXMLTSG-UMDFJOQQSA-N 384.520 4.367 10 40 GICB biogenic,in-vitro O=C1N=C(O)/C(=C/c2cccc3ccccc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 6942467 AOTOFOIOGBGRBP-PDGQHHTCSA-N 387.351 4.255 10 40 GICB COc1cccc(/C=C2\SC(NC3CCCCC3)=NC2=O)c1OC(F)F 15352887 CHTDOXRVUUKXGL-UVTDQMKNSA-N 382.432 4.189 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2c(C)cccc2C)c1C 17150207 LQCPDDVRXXHWSI-UNOMPAQXSA-N 378.472 4.013 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccc(OCc2ccccc2)cc1 58884121 WKNGHOWOBAYUOM-STZFKDTASA-N 391.467 4.347 10 40 GICB COc1ccc(/C=C2\SC(Nc3ccccc3Cl)=NC2=O)cc1[N+](=O)[O-] 59566235 NYNPXASOXLMVKG-DHDCSXOGSA-N 389.820 4.339 10 40 GICB COc1cc(CNC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)ccc1O 95349960 BNGKZOWMAWPYTF-UHFFFAOYSA-N 384.863 4.392 10 40 GICB COc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222741535 JXVAIBMGYSPKLG-NHCUHLMSSA-N 392.528 4.100 10 40 GICB CSc1ccc(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260572754 TWXUIJGUPRXLOW-INIZCTEOSA-N 390.574 4.123 10 40 GICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408765858 BOGZJHFVYPWTDQ-RMENWYJGSA-N 392.411 4.029 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C)c3)C2=O)c1 408967826 XLOIQEBVJZRYHG-KGENOOAVSA-N 399.450 4.069 10 40 GICB COc1ccc(-c2cc3ccc(O)c(CN4CCCCC4)c3oc2=O)cc1OC 1237923 IHVGGZBFXHCELH-UHFFFAOYSA-N 395.455 4.169 10 40 GICB biogenic C#CCOc1c(Cl)cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 7165638 LZPNNFJPMLAYTM-ATVHPVEESA-N 398.871 4.443 10 40 GICB O=C1N=C(O)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 9015588 ZGRLTIRWFATKGY-QGOAFFKASA-N 391.814 4.002 10 40 GICB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1CN1CCCCC1 59422890 RBKFZZMVXYHVRJ-GXDHUFHOSA-N 397.363 4.094 10 40 GICB Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc2ccccc12 24499702 KBYIHRQOYVOGRL-UHFFFAOYSA-N 380.513 4.319 10 40 GICB Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4Cl)S3)CC2)cc1 2349341 WBZTXLHJPKDNBS-RGEXLXHISA-N 397.931 4.441 10 40 GICB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1 35039043 LFARXRUZMWNKMT-WOJGMQOQSA-N 399.493 4.312 10 40 GICB CN1C(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(O)=NC1=S 2393502 IQIMUAJVUUCMQM-YRNVUSSQSA-N 381.240 4.350 10 40 GICB COC(=O)COc1cccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)c1 408869492 RVQMJTSRSBIZJA-FGSXEWAUSA-N 393.439 4.072 10 40 GICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(Cl)s2)C1=O 409251391 PWMYTVVBFCYVIA-JXMROGBWSA-N 381.240 4.030 10 40 GICB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)S2)c1 13041968 ATQAZRQFONJFMS-WQRHYEAKSA-N 396.472 4.360 10 40 GICB Cc1ccc(C)c(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)c1 5552071 INUVGERHMOTPQA-MSUUIHNZSA-N 380.494 4.056 10 40 GICB Cc1nc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)s1 5643532 OTBRYDKTGNVWBX-UHFFFAOYSA-N 386.448 4.346 10 40 GICB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 6325738 NXKOQXANEXOKQW-ATVHPVEESA-N 392.509 4.155 10 40 GICB Cc1c(O)ccc2c(CSc3ncc(-c4ccccc4)n3C)cc(=O)oc12 9112163 YYYPRIQZAMMLKC-UHFFFAOYSA-N 378.453 4.500 10 40 GICB CN(C)c1ccc([C@H](CNC(=O)c2ccccc2)N2CCc3ccccc3C2)cc1 35349268 LQLIPMBUNJXTPY-VWLOTQADSA-N 399.538 4.282 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 41108120 XSKQNLJUGNKUHT-KUOUREISSA-N 391.500 4.350 10 40 GICB CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 5376025 PLQISDXXCMTSGX-MLJWKTOOSA-N 394.587 4.131 10 40 GICB CCCCCCc1c(C)c2ccc(O)c(CN[C@@H](C(=O)O)C(C)C)c2oc1=O 35686305 QOCCZMVCBIWRAU-LJQANCHMSA-N 389.492 4.129 10 40 GICB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 13008235 BAVLVLLIEQUDBK-DEOSSOPVSA-N 391.559 4.253 10 40 GICB O=C1NC(=S)S/C1=C\c1cn(CCOc2ccccc2)c2ccccc12 1251096 QFAQZZLXKPSCKT-PDGQHHTCSA-N 380.494 4.209 10 40 GICB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 5489074 ARNNWXDDZFANRV-GULXKOIASA-N 391.445 4.150 10 40 GICB CCOC(=O)c1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 6901851 VPYVEKADPCJIAA-UHFFFAOYSA-N 385.419 4.250 10 40 GICB COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 217840825 FHOMWHJYHFWFIE-QZTJIDSGSA-N 382.504 4.188 10 40 GICB CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccccc1[N+](=O)[O-] 409037965 OAJJGVVGJKDZGP-RMKNXTFCSA-N 397.259 4.096 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(C)cc(C)c2)c1C 409052010 FUVTZHOEIDERNQ-NDENLUEZSA-N 378.472 4.013 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 5249931 FUJOBLJDAWSRBY-VGZNWPKRSA-N 377.473 4.042 10 40 GICB O=C(O)c1cc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)ccc1O 5373366 PNZFNGDFIYHZCU-AUWJEWJLSA-N 391.857 4.150 10 40 GICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccc1Cl 6132971 IGYIYNGNIZBUGG-MDWZMJQESA-N 394.930 4.241 10 40 GICB CCOc1ccc2nc(N/C=C3\C(=O)N(c4ccccc4)N=C3C)sc2c1 100552367 RFNWTBFVJGCQIK-VBKFSLOCSA-N 378.457 4.414 10 40 GICB Cc1ccc(C)c(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)c1 409228432 YTZWALGZFLODKR-WOJGMQOQSA-N 395.528 4.134 10 40 GICB COc1cc(OC)c(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)c(OC)c1 5126578 KZCJAFVGDAKBMU-WOJGMQOQSA-N 384.457 4.103 10 40 GICB COCCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 9189375 MAEOLRWMENKQAL-UYRXBGFRSA-N 399.537 4.422 10 40 GICB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)C(=N)N12 103563384 WGMTWAXGNPWAAP-KUOUREISSA-N 376.485 4.320 10 40 GICB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)cc21 260755806 BUGVBFJXGQUCNI-UXHICEINSA-N 378.545 4.316 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1O 408892891 KQXIJVBCMKQVHA-ATVHPVEESA-N 383.831 4.313 10 40 GICB COc1ccc(OC)c(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1 1293914 KUQSMAGRAOIMHF-CXUHLZMHSA-N 375.446 4.249 10 40 GICB CC1(C)Cc2c(cnn2-c2ccccc2)-c2nnc3c(c21)C(=O)c1ccccc1-3 2193334 NGMGOQWMWFUXTF-UHFFFAOYSA-N 378.435 4.374 10 40 GICB CCc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 35040277 GLFRUDSRPTVRQW-SFQUDFHCSA-N 383.494 4.441 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 100423020 WBUZOWRSZKGCDB-STZFKDTASA-N 376.435 4.136 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C/c1c(F)cccc1Cl 408765980 CGZHDSMONJDXGV-JLHYYAGUSA-N 389.785 4.495 10 40 GICB Cc1ccccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 408855897 GMLXZJOMYITSSS-FMIVXFBMSA-N 391.279 4.133 10 40 GICB O=S(=O)(Cc1c(F)cccc1Cl)NCc1ccc(N2CCCCC2)cc1 10113269 HILSIWSYPQHBRE-UHFFFAOYSA-N 396.915 4.089 10 40 GICB O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccc(Br)cc1 13284519 NQGCQCQXWVMXCB-LCYFTJDESA-N 377.288 4.250 10 40 GICB CC(=O)N1N=C(c2cccc(Br)c2)C[C@@H]1c1ccc(N(C)C)cc1 95115906 KAZUNGIGYVUWIQ-LJQANCHMSA-N 386.293 4.213 10 40 GICB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1 408760964 BMUMXNIJXSUIOX-KGENOOAVSA-N 388.398 4.374 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 409344501 JNUDNWJLWNRDBV-OQLLNIDSSA-N 399.522 4.084 10 40 GICB COc1ccc(NC(=O)CC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1504367 LXPCEUUYYSUEPK-UHFFFAOYSA-N 385.419 4.041 10 40 GICB CCOc1ccc(-n2c(C)cc(C(=O)CSc3cccc[n+]3[O-])c2C)cc1 7372647 FICKVBPFWKYKAJ-UHFFFAOYSA-N 382.485 4.101 10 40 GICB CCCCN1C(=O)/C(=C\C=C\c2ccccc2)C(=O)N(Cc2ccco2)C1=O 17118176 CYDBACUDORBDOG-MMWWNLEXSA-N 378.428 4.010 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H]1CC(c2ccccc2Cl)=NO1 141580273 NPFYHBFADBCNDG-OAQYLSRUSA-N 397.906 4.140 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c1 1311793 RHZGDXDMOWKUCC-DHDCSXOGSA-N 388.539 4.205 10 40 GICB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3O)=NN12 10213941 OOAGJSCROSWCHQ-SFHVURJKSA-N 383.879 4.011 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1Cl 409242181 NIEAHNARXOZTPY-YRNVUSSQSA-N 397.308 4.195 10 40 GICB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214104 AVGHBEFAWAZLFK-LJQANCHMSA-N 397.906 4.401 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)c1 13689862 HQZUZIFYKRTHIY-BOPFTXTBSA-N 391.477 4.238 10 40 GICB CN(O)/N=N/c1c(Br)cc(Br)cc1Br 17060502 LPOMRLFCWIGQTP-VAWYXSNFSA-N 387.857 4.294 10 40 GICB Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 102907377 URVOPYQGLVPBJJ-WMZHIEFXSA-N 386.407 4.363 10 40 GICB COC(=O)COc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc1 408868795 BJSGHMGESVQFFL-FGSXEWAUSA-N 393.439 4.072 10 40 GICB Cc1ccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)cc1 2283132 MHLWBQQNEOUPDK-PTNGSMBKSA-N 388.539 4.287 10 40 GICB O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4718527 PJWMSJZDTARCKR-GDZNZVCISA-N 381.344 4.028 10 40 GICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5024765 SQXQQDPJICIETD-XGEMEZLLSA-N 393.555 4.040 10 40 GICB CCS(=O)(=O)Nc1cc(Sc2nc3ccccc3s2)c(O)cc1C 11635035 DRQQGYPWODRLFC-UHFFFAOYSA-N 380.516 4.223 10 40 GICB Cc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC(F)(F)F)cc1)C3 20559441 WMZYMIMDGFWFFK-UHFFFAOYSA-N 377.318 4.357 10 40 GICB CCOc1ccc(S(=O)(=O)Nc2nc(-c3cccc(OC)c3)cs2)cc1 28248553 CTLGIFATDQPSAF-UHFFFAOYSA-N 390.486 4.018 10 40 GICB COc1cc([C@H](C)NCc2ccc(N3CCOCC3)cc2)ccc1OC(C)C 48710131 DXBFMXKSKFXUKN-SFHVURJKSA-N 384.520 4.170 10 40 GICB O=C(c1ccc2ccccc2c1)c1coc2ccc(O)c(CN3CCOCC3)c12 604418918 PMAOSRMDDLMPRW-UHFFFAOYSA-N 387.435 4.355 10 40 GICB Cc1ccc(O)c(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)c1 19325092 BMCWGVPSBWWODF-UHFFFAOYSA-N 390.483 4.128 10 40 GICB CNc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1[N+](=O)[O-] 105412597 IGJYFWXCSPKFCS-LICLKQGHSA-N 382.445 4.336 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C)c(C)c3)C2=O)cc1 408965742 LSXLONHAFBJFFY-KGENOOAVSA-N 399.450 4.069 10 40 GICB CCOc1c(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cccc1OC 409204222 CUFUNHQMJHFWQG-LFIBNONCSA-N 388.514 4.050 10 40 GICB COc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S 409346177 MVKAQYIKHKVWTK-OQLLNIDSSA-N 377.874 4.460 10 40 GICB Cc1cc(/C=C2\C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccccc1 1853276 HAPYROIOHCIAAV-UNOMPAQXSA-N 389.411 4.189 10 40 GICB CC(C)CCN1COc2ccc3c4c(oc3c2C1)C(=O)c1ccccc1C4=O 54387968 MRXUMXGUDSYZFT-UHFFFAOYSA-N 375.424 4.406 10 40 GICB biogenic COC(=O)c1cc2ccccc2c(CN2CCCc3cc(OC)ccc32)c1O 83970022 PAGDUTTUHORBIO-UHFFFAOYSA-N 377.440 4.293 10 40 GICB NC(=O)C1CCN(C(=S)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 409207465 XPOZQJOWZZVBIX-UHFFFAOYSA-N 383.300 4.126 10 40 GICB COc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)c1 4393222 BVMRIMXGIJZDTI-GOSISDBHSA-N 378.453 4.454 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1 83261480 WPGOVATZWRLZNR-BOPFTXTBSA-N 384.482 4.059 10 40 GICB CCCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc23)C(=O)NC1=S 16638800 NBQUMGUNNQNSRV-ZHZULCJRSA-N 388.492 4.420 10 40 GICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/Nc1ccc(Br)cn1 100535685 JGQKPLXZFMCCNG-NTEUORMPSA-N 391.656 4.216 10 40 GICB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 1346167 UGKWOQOOXLCXIM-ZIAGYGMSSA-N 398.488 4.273 10 40 GICB O=C(NCCc1ccc(F)cc1)c1ccc2c3c(onc13)-c1ccccc1C2=O 2296744 SVHBKMIBWJJIPS-UHFFFAOYSA-N 386.382 4.151 10 40 GICB Cn1c(/C=C2/SC(Nc3cc(Cl)ccc3O)=NC2=O)nc2ccccc21 5236005 RGVJHWBIBOUIFL-OQLLNIDSSA-N 384.848 4.015 10 40 GICB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc(OC)c1O 5520494 RXRUWXQSMUJUHM-WJDWOHSUSA-N 380.444 4.242 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(O)c3)C2=O)cc1OC 13583799 FCOKDAAXTIHJEN-YVLHZVERSA-N 387.482 4.205 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1OC 35038976 KJXRJGMFJVFMEE-GZTJUZNOSA-N 399.493 4.312 10 40 GICB COc1ccc(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 222978639 REOGKUOWIGFKIY-GOSISDBHSA-N 380.532 4.489 10 40 GICB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(CNCCc3ccc(O)cc3)cc1OC2(C)C 257290568 QDLJNUSFJGODJE-OFSQETHSSA-N 397.515 4.457 10 40 GICB COc1ccc(N2CCn3c(nc4cc(NC(=O)c5ccccc5)ccc43)C2)cc1 2337861 GQFLNRCPULYVKP-UHFFFAOYSA-N 398.466 4.317 10 40 GICB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1ccccc1 6973108 QATWUCCAEUPAAX-UHFFFAOYSA-N 380.469 4.316 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)c1 27230434 PFEUYUPKBRNQBF-MHWRWJLKSA-N 379.466 4.171 10 40 GICB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3cccc(C)c3)CC2)cc1 225780542 QOUFHMKLJOMOIE-UHFFFAOYSA-N 393.575 4.370 10 40 GICB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2Cl)C1=O 409001836 WXMHDMGBVPXKEP-VQHVLOKHSA-N 381.240 4.030 10 40 GICB CC[C@@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 1282573 XBSIKJYXXADXMH-YDRQLGOLSA-N 377.531 4.353 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 5959359 XXNXDXKEBDJWLU-LFIBNONCSA-N 386.454 4.399 10 40 GICB Cc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)n1-c1ccccc1F 32800844 NUWVSIWPWIRSLH-HXUWFJFHSA-N 385.508 4.327 10 40 GICB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Br)cc1 1476263 RDQOLWVCRPFWBN-JYRVWZFOSA-N 377.288 4.250 10 40 GICB CCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(C)ccc3O)=NN12 10214032 JLBMECBMMLBPNN-HXUWFJFHSA-N 377.488 4.056 10 40 GICB Oc1ccccc1CN1CCOC[C@H]1c1nc(-c2ccc(Cl)s2)c[nH]1 96296172 ADTGGCMVMZQTQJ-AWEZNQCLSA-N 375.881 4.071 10 40 GICB biogenic,in-vitro O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1cccc2ccccc12 214864849 JUTQRTZAKZTYGA-YBFXNURJSA-N 377.421 4.488 10 40 GICB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=N)N12 4150598 OMIBXRVTWKCBGM-UGWYOXCXSA-N 380.448 4.400 10 40 GICB O=C1[C@@H](Nc2ccc(Br)cc2)SC(=S)N1c1ccccc1 6896672 RTBCBKQJJBXJLH-ZDUSSCGKSA-N 379.304 4.252 10 40 GICB Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCO[C@@H](C)C2)c1O 12890005 RWTWZGHGISOKQM-KRWDZBQOSA-N 390.483 4.327 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCC3)cc2F)C(=O)N1c1cccc(Cl)c1 14009806 RTVHSYOXYQNVCF-VCHYOVAHSA-N 385.826 4.177 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 408762577 FACUSHNQTMJKAQ-AUWJEWJLSA-N 381.240 4.360 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 5465371 FIWQBRFBSBGDQX-PTNGSMBKSA-N 398.802 4.125 10 40 GICB CCN1C(=O)[C@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S 6952551 HZCHKVJDBXDPMG-KRWDZBQOSA-N 375.490 4.196 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C)c3C)n2C)cc1 7423515 KMNUOUKMCYXJCM-UHFFFAOYSA-N 381.501 4.443 10 40 GICB COc1ccc(/C=C/C(=O)NCc2ccc(N3CCCCC3)cc2)cc1OC 13668534 AGUYTYABRIKRLY-UKTHLTGXSA-N 380.488 4.024 10 40 GICB CCn1c(SCC(=O)c2sc3ccccc3c2O)nnc1-c1ccncc1 19825320 PTCCSHJYSNSPDA-UHFFFAOYSA-N 396.497 4.255 10 40 GICB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3nnc(C(C)C)o3)cc2)CC1 36752390 WRKVZIPILDIGIY-KRWDZBQOSA-N 384.524 4.239 10 40 GICB CC(C)CCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 101091726 OUAXYJSQVWTSNJ-LUAWRHEFSA-N 382.411 4.081 10 40 GICB O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(Br)c1 1830501 AGKJSXDDLNRYFZ-JYRVWZFOSA-N 377.288 4.250 10 40 GICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 222739192 XPEBNOMWYCKQBR-VQTJNVASSA-N 380.492 4.231 10 40 GICB CC1=NN(c2cc(Cl)ccc2Cl)C(=O)/C1=C/Nc1c(C)nn(C)c1C 408757887 RPDYNHBMNYBIHJ-MDWZMJQESA-N 378.263 4.062 10 40 GICB CC(/C=C1\SC(=S)N(CCC(=O)NC(C)(C)C)C1=O)=C\c1ccccc1 4837231 ZCVCAPNMZSWPRL-QLKCLSONSA-N 388.558 4.139 10 40 GICB CCOc1ccc(N2C(=O)N=C(O)/C(=C/c3cn(C)c4ccccc34)C2=O)cc1 8973982 WLAYEVQKARRQJK-PDGQHHTCSA-N 389.411 4.084 10 40 GICB CCCCNC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 12032461 QSIPNFJIMVYNGQ-NTCAYCPXSA-N 396.965 4.238 10 40 GICB Oc1c(Cl)cc(Cl)cc1CNc1nc2ccc(Br)cn2n1 97105589 VEWGDPJBAZYZFB-UHFFFAOYSA-N 388.052 4.116 10 40 GICB CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3OC)c(C)oc12 20438630 CEXUXZXFAAECPA-UHFFFAOYSA-N 383.444 4.450 10 40 GICB biogenic Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1C 6131706 YOSUAQVSLZEJHA-OQLLNIDSSA-N 388.539 4.205 10 40 GICB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3cccs3)C2=O)c1 59104758 MNKRUPRHQSKZBO-SDNWHVSQSA-N 386.429 4.052 10 40 GICB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S 3183196 OWLXUUSMUBQIGP-BOPFTXTBSA-N 392.509 4.155 10 40 GICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12 34864953 RFODPLNGTHYCKE-JCMHNJIXSA-N 393.446 4.151 10 40 GICB Cc1ccc(C)n1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)SC1=S 409204914 LYBKRGKDGKGSDK-ZSOIEALJSA-N 393.877 4.204 10 40 GICB COc1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c2ccccc12 4569190 AKSGCDCDFLXFSD-UHFFFAOYSA-N 382.485 4.249 10 40 GICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 4703010 PCVHHPIEQKKGHN-PDGQHHTCSA-N 383.831 4.226 10 40 GICB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccc(N2CCCCC2)cc1 224578709 VRYVXXFHMWBJLW-SFHVURJKSA-N 391.515 4.295 10 40 GICB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 4541575 YAUCKHPJJRRFKS-UHFFFAOYSA-N 390.439 4.092 10 40 GICB CCn1c(-c2ccc3c(c2)OCCO3)cnc1SCC(=O)c1cc(C)[nH]c1C 23463539 WNQZNBRYTZPROD-UHFFFAOYSA-N 397.500 4.261 10 40 GICB COc1ccc(/C=C2/SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 33339074 OSQHCAZVUMCCGA-QGOAFFKASA-N 385.510 4.148 10 40 GICB Cc1cccc(C2=NN3C(=N)/C(=C/c4ccc(Cl)cc4)C(=O)N=C3S2)c1 41076691 AVTFUNBXGYZTSF-ACXWOISZSA-N 380.860 4.316 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 408896392 YIRLKALNSHGELZ-UNOMPAQXSA-N 392.411 4.089 10 40 GICB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1ccc(F)cc1 59418088 QJEJGFIEGHSUQS-LICLKQGHSA-N 389.473 4.244 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3)c(Cl)c2)S1 409026406 OFDDTAUSAYNVRU-YVLHZVERSA-N 386.860 4.025 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)cc1 408771123 CSPJKJOJYYLFRI-DEDYPNTBSA-N 391.471 4.195 10 40 GICB CCc1ccc(N2C=C(C(=O)N3CCCCC3)S(=O)(=O)c3ccccc32)cc1 44169780 QUAVOAMURGXRQJ-UHFFFAOYSA-N 396.512 4.028 10 40 GICB CCN(CCC#N)c1ccc(CNC[C@@H](c2ccco2)N2CCCC2)c(C)c1 22799091 BJOZPBDTEVAFTP-QFIPXVFZSA-N 380.536 4.255 10 40 GICB Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccccc2C)cc1 6205352 OCTUWDHRYXSRKT-UHFFFAOYSA-N 376.456 4.428 10 40 GICB COc1cccc2ccc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)nc12 54360839 YXLKOFZJMKJIAH-YVLHZVERSA-N 394.477 4.355 10 40 GICB C[C@H]1CC(=O)N[C@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C 995518 QDLUIPKHEOLEDQ-OJFFMAKCSA-N 375.516 4.168 10 40 GICB CCCCC1(C)OC(=O)C(=Cc2ccc(-c3cc(C(=O)O)ccc3C)o2)C(=O)O1 3622528 UNPHRBXNIYLJTI-UHFFFAOYSA-N 398.411 4.343 10 40 GICB CCN(CC)Cc1c(O)ccc2c(C)c(-c3ccc(OC)c(OC)c3)c(=O)oc12 4353835 JAFUGWLCHCBHHR-UHFFFAOYSA-N 397.471 4.333 10 40 GICB biogenic CCOc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 6508406 DALKIEZOYUHVAV-LICLKQGHSA-N 385.466 4.220 10 40 GICB Cc1ccccc1NC(=O)c1cc2ccccc2c(CN2CCO[C@H](C)C2)c1O 12889996 RWTWZGHGISOKQM-QGZVFWFLSA-N 390.483 4.327 10 40 GICB Cc1ccc(-c2nc(/C=C3/SC(=S)N(C)C3=O)n(-c3ccccc3)n2)cc1 27562127 BHCQHGGQRMGPRQ-FOWTUZBSSA-N 392.509 4.074 10 40 GICB CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)SC1=S 33608144 ITYBGXITYUHQTR-DHDCSXOGSA-N 390.442 4.085 10 40 GICB CCc1ccc(/C=C2/SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 35648143 XCOUCGDFFBEGEJ-HMMYKYKNSA-N 395.503 4.181 10 40 GICB COc1ccccc1[C@H](NC(=O)c1ccccc1)c1ccc2cccnc2c1O 1209705 HZDPJEOGRSUVDG-QFIPXVFZSA-N 384.435 4.468 10 40 GICB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1 1221502 ZCYVNGSVXUKMFW-UHFFFAOYSA-N 392.440 4.431 10 40 GICB CCCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112123524 XRIUBYPPGNTRPZ-SILNSSARSA-N 392.459 4.400 10 40 GICB CC[C@H](C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(C)C)cc2)SC1=S 1282575 XBSIKJYXXADXMH-ATTDUZETSA-N 377.531 4.353 10 40 GICB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(OC)c1)CO3 2160141 DSXTUNJDJAVVQU-UHFFFAOYSA-N 381.428 4.038 10 40 GICB biogenic CC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)N=C2S1 870567 VKJFZQYIFLHOPH-OXMFYWCOSA-N 394.431 4.044 10 40 GICB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(\C)NCc1ccccc1Cl 100422762 LORFVEALJDWUGT-LDADJPATSA-N 384.823 4.035 10 40 GICB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@@H]1/N=N/c1nccs1 100510903 IPVABBOHJHYFLV-YYZBOFOMSA-N 382.474 4.450 10 40 GICB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]2c3c(ccc4oc5ccccc5c34)O[C@H]12 102059725 OVBSWUMXKZSCFO-UGKGYDQZSA-N 385.331 4.418 10 40 GICB COc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222741927 UORRXZDPNAUHOR-LEWJYISDSA-N 392.528 4.100 10 40 GICB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1F 225608419 MNGVITWVTZQGEM-NVXWUHKLSA-N 390.524 4.410 10 40 GICB Cc1ccc(N2NC(=O)/C(=C/c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1C 17146060 GLHLDPSTPBUJLY-JCMHNJIXSA-N 391.515 4.247 10 40 GICB COc1ccc(O)c(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)c1 36740553 XTVNMKUGJWDLJO-UHFFFAOYSA-N 383.536 4.107 10 40 GICB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccccc1Cl 5054726 YNKIDOIXJGVBFJ-ZROIWOOFSA-N 392.864 4.025 10 40 GICB COc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 7423283 PUZNEMLJDPXUIS-UHFFFAOYSA-N 387.892 4.480 10 40 GICB Cc1ccc2c(COC(=O)c3sc4nc(C)cc(C)c4c3N)cc(=O)oc2c1 14151869 NWBKQAKLJJYBGX-UHFFFAOYSA-N 394.452 4.267 10 40 GICB COc1ccc(OC)c(N/C=C2\SC(=S)N(C3CCCCC3)C2=O)c1 102581271 MGYSPXOVRYGXBG-WJDWOHSUSA-N 378.519 4.150 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1cccs1 103918616 UEMOPJBSNKIVMG-RGEXLXHISA-N 398.488 4.265 10 40 GICB COc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)cc3)n2)cc1 1514699 JSGYRICQHHNONI-UHFFFAOYSA-N 380.878 4.273 10 40 GICB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)cc1 7348591 XAUFQGRZJWKWCR-UHFFFAOYSA-N 378.472 4.262 10 40 GICB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)n1-c1ccc(F)cc1 45501046 HFESUNMMBIFKTQ-CQSZACIVSA-N 393.418 4.205 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2cc(F)ccc2F)C1)CCC3 12408586 OUUHXXCKTKXJJK-INIZCTEOSA-N 396.393 4.013 10 40 GICB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/C=C(c2ccc(Cl)cc2)OC1=O 12437316 SLUHQMGBSLUJRV-QPEQYQDCSA-N 387.775 4.247 10 40 GICB Cc1cc(C(=S)N2CCCCC2)c(C)n1-c1ccc(N2CCOCC2)cc1 409204632 CBGRDWYOXXQNQE-UHFFFAOYSA-N 383.561 4.092 10 40 GICB CCN(CC)c1ccc(C(=S)N2CCN(c3ccc(OC)cc3)CC2)cc1 1443835 UFOPGNDYDWHMGV-UHFFFAOYSA-N 383.561 4.039 10 40 GICB COc1ccc(N(C)Cc2nc(N)c3c4c(sc3n2)CCCCC4)cc1OC 58402369 VVLUKHNJCHYMOL-UHFFFAOYSA-N 398.532 4.196 10 40 GICB COc1ccc(N2C(=O)/C(=C\C=C\c3ccc4c(c3)OCO4)SC2=S)cc1 113831168 UJHJRRNMPTUVAJ-WSYLNHOOSA-N 397.477 4.386 10 40 GICB CCO[C@@H](C)n1cc(-c2ncnc3c2ccn3COCC[Si](C)(C)C)cn1 199928781 YXEVMRSTXLNHQX-HNNXBMFYSA-N 387.560 4.162 10 40 GICB COc1ccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260466127 FHOMWHJYHFWFIE-ZWKOTPCHSA-N 382.504 4.188 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 408989976 VUTQZVAMHJYNDE-STZFKDTASA-N 391.467 4.267 10 40 GICB CCn1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1C 409228363 XVTHEIKTWNWSIZ-XDHOZWIPSA-N 395.528 4.080 10 40 GICB Cc1ccc2nc(-c3ccc(O)c(O)c3)c(Nc3ccc4c(c3)OCCO4)n2c1 35606436 YOCKLNHXYQRFKO-UHFFFAOYSA-N 389.411 4.236 10 40 GICB COc1ccc2nc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)ccc2c1 54360798 LDYNTJUVSTUQBO-ZDLGFXPLSA-N 394.477 4.355 10 40 GICB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5374269 BUZOMOAELBKRSW-FYLGPKAWSA-N 375.515 4.333 10 40 GICB O=C1NC(=S)N/C1=C\c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O 408725063 IRBAQBBPBQNWGM-UTSVKORYSA-N 392.362 4.172 10 40 GICB Cc1cc(C(=O)CSc2ncccn2)c(C)n1-c1ccc(OC(F)F)cc1 5701735 JUHSZRQYVNUDBV-UHFFFAOYSA-N 389.427 4.461 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1OC 6009312 UJKDKBHABYLPRW-QGOAFFKASA-N 385.510 4.148 10 40 GICB COc1ccc(N2CCN(Cc3cc(-c4ccc(Cl)cc4)no3)CC2)cc1 25049613 GFQYWUIHIRPMSX-UHFFFAOYSA-N 383.879 4.326 10 40 GICB O=S(=O)(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(F)c(F)c1F 57720373 CEKLALWKISZOCT-UHFFFAOYSA-N 388.367 4.167 10 40 GICB Cc1cc(C(=O)COC(=O)c2ccc3c(c2)COC3)c(C)n1-c1ccccc1 64692075 USOWESKPARJBOV-UHFFFAOYSA-N 375.424 4.164 10 40 GICB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260466530 TZOFTBAJPOCNAW-IRXDYDNUSA-N 382.504 4.431 10 40 GICB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408896671 HCWPBERDKHKQGU-CXDFQFJYSA-N 392.455 4.147 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1 409200762 JDEYAJCQEPKJIG-KPKJPENVSA-N 395.629 4.313 10 40 GICB Cc1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(C)n1-c1ccccc1 3331830 RQEYNBUHMATRBF-UHFFFAOYSA-N 396.874 4.221 10 40 GICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc(Cl)c1 4745498 TUACCNDLHWIPIO-GXDHUFHOSA-N 392.889 4.163 10 40 GICB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3F)o2)SC1=S 5489070 ARNNWXDDZFANRV-NCPSJORJSA-N 391.445 4.150 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)c(OCC)c1 13601126 FTGNXWHYXJYXQR-AQTBWJFISA-N 393.439 4.058 10 40 GICB CCOC(=O)c1cccc(NC(=S)NCCN(CC)c2ccc(C)cc2)c1C 225793861 BRHIRGJCLZHBBF-UHFFFAOYSA-N 399.560 4.293 10 40 GICB CCN1C(=O)/C(=C2/C(=O)N3c4c(cc(C)cc42)C(C)=CC3(C)C)SC1=S 4681571 HQNALZKPOXKWRL-PEZBUJJGSA-N 384.526 4.128 10 40 GICB COC(=O)c1cc2ccccc2c(CN2CCO[C@@H](c3ccc(F)cc3)C2)c1O 29886845 ARDYANRFYCWXIA-OAQYLSRUSA-N 395.430 4.045 10 40 GICB CCN(C(C)=O)c1nc(CN2CCCc3cc(OC(F)(F)F)ccc32)cs1 29923642 LTZZBUSQBYVRIQ-UHFFFAOYSA-N 399.438 4.367 10 40 GICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O 408815254 PUKYKSYAHMIEDA-GZTJUZNOSA-N 398.846 4.022 10 40 GICB CCn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=S)N=C2O)c2ccccc21 33332483 PQMPSPMUIGTPDM-PDGQHHTCSA-N 389.480 4.328 10 40 GICB CCN(CC)c1ccc(/C=C2/N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 1445360 JJQABRIHEDHFHQ-LDADJPATSA-N 379.416 4.094 10 40 GICB CCOc1ccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 4942491 IIUKCIZGGKGRKG-IBGZPJMESA-N 376.412 4.375 10 40 GICB Oc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccncc2)c1 10215461 LJOPNTQDYQLILI-GHTZIAJQSA-N 393.830 4.389 10 40 GICB COc1ccc(-c2cc3ccc(O)c(CN4CCC[C@H](C)C4)c3oc2=O)cc1 1317657 SKJUBGSUKIYEJM-HNNXBMFYSA-N 379.456 4.406 10 40 GICB biogenic Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 4688433 QVRINOFPJOMZSR-XDHOZWIPSA-N 381.863 4.346 10 40 GICB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409125841 GBGJRUUPLGUJOO-XDHOZWIPSA-N 384.501 4.394 10 40 GICB Cc1cc(C(=O)COC(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 3294433 BAKCMECKFPNDQZ-UHFFFAOYSA-N 389.354 4.328 10 40 GICB COc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1C 4957402 HIEOHFHCRFALQX-UHFFFAOYSA-N 387.892 4.480 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC 35039070 HSXUGSJZIBHQQC-WOJGMQOQSA-N 399.493 4.312 10 40 GICB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C1=O 409106822 PMLBEWQTUPEBHJ-WOJGMQOQSA-N 398.484 4.245 10 40 GICB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 36092606 NAIXQXUELKFILC-MBBDXHFBSA-N 393.873 4.274 10 40 GICB COc1ccccc1C1=N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1 408842157 MYNILUOVFAZSSJ-HMMYKYKNSA-N 399.406 4.438 10 40 GICB C[C@H]1CC(C)(C)N(C)c2ccc(/C=C/c3c(C(=O)O)cnc4ccnn34)cc21 253495625 KXHHAVMKQSNTKX-OWNNVSBGSA-N 376.460 4.320 10 40 GICB Cc1ccc(N2NC(=O)/C(=C\c3ccc(N(C)CCC(C)C)cc3)C2=O)cc1C 666609 GLHLDPSTPBUJLY-PXLXIMEGSA-N 391.515 4.247 10 40 GICB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 14862454 UPTKEHOGEFCOTP-AJMCHMBZSA-N 390.443 4.216 10 40 GICB Cn1c(O)c(/N=N/C(=O)C(O)(c2ccccc2)c2ccccc2)c2ccccc21 4553229 DNPVGBKHUGNHDT-OCOZRVBESA-N 385.423 4.430 10 40 GICB COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccc(O)cc1 408846820 ZFMBRAVRZDYJFX-XSFVSMFZSA-N 388.398 4.374 10 40 GICB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccc(N2CCCCC2)cc1 9338713 NACHFRASRNYHET-UHFFFAOYSA-N 395.551 4.059 10 40 GICB COc1ccc(N2CCN(C(=O)c3cc(C(C)C)c(OC)cc3C)CC2)cc1 225658154 XIJBULJRGXAIEK-UHFFFAOYSA-N 382.504 4.098 10 40 GICB CCOc1ccccc1/C=C1\SC(=S)N(CCCCCC(=O)OC)C1=O 13533829 JDCOBOSRYQPHFJ-SSZFMOIBSA-N 393.530 4.020 10 40 GICB COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccc(O)cc2)C1=O 408754240 JGQVITFQPGUHSQ-XSFVSMFZSA-N 388.398 4.374 10 40 GICB CC(C)C1=NN2C(=N)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2S1 4466819 FVQGMGHZZVSIFM-AJUKGGFZSA-N 382.420 4.361 10 40 GICB COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)/C1=C\c1ccco1 409018332 LBEPXJHEYWKJLN-DHDCSXOGSA-N 378.211 4.464 10 40 GICB COc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)c1 638979 QNSSQENVCUDHRS-FYJGNVAPSA-N 387.439 4.200 10 40 GICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(Cl)cc1 1471425 JHZFIMURXJYITD-JXAWBTAJSA-N 383.904 4.133 10 40 GICB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(O)c1 2361621 FRVGXZYSWCACAO-ATVHPVEESA-N 398.509 4.012 10 40 GICB O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)C[C@H]12 2435390 YIGDWECLHXUZDQ-QHCPKHFHSA-N 394.474 4.004 10 40 GICB aggregator CSC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 33738656 KSSBYUIITDONKU-YERBQUFUSA-N 395.513 4.034 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 222793292 MYCDXOBMPNJDJD-PMACEKPBSA-N 391.544 4.185 10 40 GICB O=C1C2=C3CCCCCN3[C@H](c3ccc(Cl)cc3)NC2=NN1c1ccccc1 5824987 QIAQUPQDXGVHQQ-OAQYLSRUSA-N 392.890 4.432 10 40 GICB COc1ccc2nc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)ccc2c1 9419373 XUQZGFGBAQHXNO-LICLKQGHSA-N 382.466 4.238 10 40 GICB CC(C)Oc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 40939870 RZRSBJOVPKDPQQ-ATVHPVEESA-N 398.509 4.020 10 40 GICB Cc1cc(C(=O)Nc2cccc(N3CCOC3=O)c2)c(C)n1-c1ccccc1F 48276555 KIHRPOGNCDLERU-UHFFFAOYSA-N 393.418 4.442 10 40 GICB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1cccc(F)c1 1842447 QUNCPCTUDYGPJM-PTNGSMBKSA-N 390.461 4.039 10 40 GICB Cc1ccccc1OCCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 17185965 AMSNGIWCYJWCNP-XMHGGMMESA-N 382.485 4.176 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)c(C)c1 664702 GDKBPYBIFJFDGM-WOJGMQOQSA-N 395.528 4.134 10 40 GICB O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(Br)c1 2259362 GKVSVBGPHWRTIN-LCYFTJDESA-N 377.288 4.250 10 40 GICB CCCC[C@H](NCc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O)C(=O)O 4540337 JAMZPQVTHJISEL-SFHVURJKSA-N 395.455 4.207 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 5371329 QZDZVZGITXZCIC-SXGWCWSVSA-N 385.466 4.108 10 40 GICB CCc1ccccc1N1C(=O)/C(=C2/C(=O)Nc3ccc(F)cc32)SC1=S 5552106 MXGRUSMXPWTLOF-NXVVXOECSA-N 384.457 4.116 10 40 GICB COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(C(C)C)cc34)CC2)cc1 54105894 BHZGZBASSLYXEK-UHFFFAOYSA-N 392.499 4.247 10 40 GICB biogenic CCN1C(=O)/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S 409210476 KKKDQXYYZIIJET-NTEUORMPSA-N 387.442 4.003 10 40 GICB O=C(Nc1ccc(O)cc1C(=O)O)c1cccc(Oc2ccc([N+](=O)[O-])cc2)c1 3662988 PNKNNTSDMPWSJY-UHFFFAOYSA-N 394.339 4.043 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 103917534 VPWBSGUSTJYZEN-JWGURIENSA-N 393.487 4.270 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)SC1=S 208675058 KHNMFIVBTSDBHE-YBEGLDIGSA-N 387.486 4.223 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 5372277 RZSFYAYSEALBJK-YVLHZVERSA-N 399.493 4.498 10 40 GICB O=C1c2ccccc2-c2nc3[nH]nc(O)c3c(-c3ccc(Br)cc3)c21 18200993 JPSYLOXRWZPEGD-UHFFFAOYSA-N 392.212 4.304 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1Cl 408777588 CQMDDAGTMKQNSR-MHWRWJLKSA-N 398.846 4.022 10 40 GICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccccc1OCc1ccccc1F 58866217 IYSPOLXZRZWSLX-UHFFFAOYSA-N 382.387 4.158 10 40 GICB Cc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)cc1 9187973 NYOZDFPLYWIODQ-UYRXBGFRSA-N 397.931 4.441 10 40 GICB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1cccc(Cl)c1 13714452 FFEQVNTXCGSYAI-ZSOIEALJSA-N 392.864 4.025 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)cc1Cl 408819488 XJZFKXCBAMZONS-XNTDXEJSSA-N 398.846 4.022 10 40 GICB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 408881581 NLQVBXPPYVJAGX-VCHYOVAHSA-N 398.846 4.022 10 40 GICB Cc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)cc1 35624304 ZUPQHVGHXZCCRM-KTZOAPACSA-N 383.494 4.412 10 40 GICB COc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)N1c1ccccc1 408840003 AAODWORNVJVMGD-HMMYKYKNSA-N 398.418 4.228 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3C(=O)O)SC2=S)cc1 1297987 WJSJMOKDTWAYQO-WJDWOHSUSA-N 385.466 4.189 10 40 GICB Cc1ccc(/N=N\c2c(O)c(C(=O)O)cc3ccccc23)c(S(=O)(=O)O)c1 16892518 JYNBEDVXQNFTOX-VXPUYCOJSA-N 386.385 4.214 10 40 GICB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/Nc1ccc(Cl)cn1 101113946 JXCIVTRAPVPARZ-NTEUORMPSA-N 391.656 4.216 10 40 GICB CCc1ccc(/C=C2\C(=O)N(c3cccc(OC)c3)C(C)=C2C(=O)OC)cc1 409064393 CGXLTJIOKWDGTH-MOSHPQCFSA-N 377.440 4.135 10 40 GICB O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1ccccc1 1242721 UDLPJUOAVQIWIS-ZROIWOOFSA-N 392.864 4.025 10 40 GICB CCCc1cc(=O)oc2c(CN3CCO[C@H](c4ccccc4)C3)c(O)ccc12 95479355 IJILDIGSASOXAA-NRFANRHFSA-N 379.456 4.025 10 40 GICB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)N=C2S1 20037241 NFRMDHZQISTKOW-JBTTYCITSA-N 380.448 4.400 10 40 GICB O=C1/C(=C\c2ccc(Br)o2)C(C(F)(F)F)=NN1c1ccccc1 408971634 KOCQZNFNTKXAOQ-FLIBITNWSA-N 385.139 4.391 10 40 GICB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(c2ccc(F)cc2)CC1 2275508 VDBXUBIQIBSVQS-OCOZRVBESA-N 395.438 4.305 10 40 GICB O=C(COc1ccc(Cl)cc1)Oc1cccc2c1C(=O)c1ccccc1C2=O 4659153 WKGKDOHNVHDFHW-UHFFFAOYSA-N 392.794 4.100 10 40 GICB Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 10215397 URVOPYQGLVPBJJ-CVDCTZTESA-N 386.407 4.363 10 40 GICB C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccc(N2CCC[C@@H](C)C2)cc1 218160149 SILOPWUEXIQFDZ-SJORKVTESA-N 381.476 4.251 10 40 GICB Cn1cc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 2437363 APEGBEXNVUBAJY-QGMBQPNBSA-N 394.477 4.313 10 40 GICB CCN1/C(=C2\C(=O)N(c3ccc(NC(C)=O)cc3)N=C2C)C=Cc2ccccc21 101504069 AIXOHNGUYQCREM-DQRAZIAOSA-N 386.455 4.175 10 40 GICB Cc1ccc(N/C=C2\C(=O)NC(=O)N(c3cccc4ccccc34)C2=O)cc1C 408533954 PQIBIKNTKMVVDF-CPNJWEJPSA-N 385.423 4.035 10 40 GICB CCOc1cccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)c1 38180535 DGBSIHMPMNSAEE-LICLKQGHSA-N 396.468 4.079 10 40 GICB CC1=CC2=NC(=O)/C(=C/c3ccc(-c4ccc(Br)cc4)o3)C(=N)N2O1 41078288 KFIUVBISBFLBCM-WJNHLLBISA-N 398.216 4.159 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(OC)c1 59435707 KZYITTQKBKFHAU-PDGQHHTCSA-N 383.831 4.226 10 40 GICB C[C@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 65222442 RYRPOQIYANXTRT-AWEZNQCLSA-N 375.925 4.224 10 40 GICB Cn1c(/C=C2\C(=O)N(Cc3ccccc3)c3ccccc32)nc2ccccc2c1=O 18037430 RZFKEINVYAAVQS-HKWRFOASSA-N 393.446 4.021 10 40 GICB O=C1/C(=C\c2ccccc2[N+](=O)[O-])N=C(c2ccccc2)N1c1ccc(O)cc1 408849356 ZTVDKHWGYBWESK-XMHGGMMESA-N 385.379 4.135 10 40 GICB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 6721755 JFJJWMWSKHJBSG-WMZHIEFXSA-N 387.439 4.347 10 40 GICB COc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 6721758 FFWLQISPOPZIPC-AUSIDOKSSA-N 387.439 4.347 10 40 GICB CC[C@H](C)N1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)C(O)=NC1=S 2426550 YJOJILZALHVPAN-JZBMNUFDSA-N 385.533 4.333 10 40 GICB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2ccccn2)cc1 100423826 YWYPNRWSQDJWNZ-PGMHBOJBSA-N 384.439 4.227 10 40 GICB Cc1cccc(C)c1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 2120796 MYUIREDTJAXECD-BKUYFWCQSA-N 399.519 4.481 10 40 GICB CC(=O)c1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 7378414 AIBUAGJYWRTTFA-UHFFFAOYSA-N 390.439 4.092 10 40 GICB C[C@@H](Oc1ccccc1F)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288294 VEPZZASHXXLMOG-QGZVFWFLSA-N 393.462 4.287 10 40 GICB CN(Cc1ccc(N(C)C)cc1)C(=O)c1cc(Br)ccc1Cl 32722608 FGOWHEVPACNGKY-UHFFFAOYSA-N 381.701 4.441 10 40 GICB COc1ccc(N2CCN(Cc3csc(-c4ccccc4OC)n3)CC2)cc1 58127042 QNOAJYLPSAGRNE-UHFFFAOYSA-N 395.528 4.150 10 40 GICB CCCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(F)cc3)N=C2C)cc1 101114485 KMGFLKDTPJTFAE-CPNJWEJPSA-N 381.407 4.111 10 40 GICB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)CC1=O 408708856 USWPISSMSHFSPN-LJQANCHMSA-N 387.483 4.394 10 40 GICB Cc1cc(-c2cc(C(=O)N(C)Cc3ccccc3O)c3c(C)noc3n2)c(C)o1 53915167 WBUOSKYOWJXNQL-UHFFFAOYSA-N 391.427 4.386 10 40 GICB COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@H](C(=O)O)c3ccccc3)ccc12 950419 IJLWGEUHKYAYIS-NRFANRHFSA-N 390.391 4.468 10 40 GICB COc1cccc(-n2c(C)cc(C(=O)Nc3ccc(OC)c(OC)c3)c2C)c1 32796433 KDRMWMSWURSUEC-UHFFFAOYSA-N 380.444 4.372 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 222793644 WWFOSLCJMTXXTL-RTWAWAEBSA-N 391.544 4.185 10 40 GICB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3ccco3)=NN12 41076732 DVFMBVOEMJBIIZ-YMGOLSLPSA-N 388.408 4.207 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3cccc(F)c3)SC2=S)c(OC)c1 5371793 XQUAVVQIEXWVDI-SXGWCWSVSA-N 375.446 4.249 10 40 GICB COc1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 7496961 MASFRNFEIIPUGD-IZZDOVSWSA-N 380.488 4.307 10 40 GICB Cc1ccc(CNC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 7423434 FBVIFWWEBOBXPE-UHFFFAOYSA-N 385.920 4.457 10 40 GICB O=S(=O)(NCc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2c1 13671182 FWYAFSYRXRPOHE-UHFFFAOYSA-N 380.513 4.309 10 40 GICB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)C(=N)N2O1 20236950 FBRVFMHWPMDSRW-KKKIXCIXSA-N 398.825 4.337 10 40 GICB CC(C)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 38655221 NHQOFPUSBJNHEB-UHFFFAOYSA-N 396.512 4.199 10 40 GICB CNc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc1[N+](=O)[O-] 105412753 XASGQJHXKITQPQ-LICLKQGHSA-N 382.445 4.336 10 40 GICB COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1 409018458 MFQKASZFDUZWLW-WOJGMQOQSA-N 398.484 4.325 10 40 GICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccccc1OC 409056328 CTALTGQVYABJAW-CYVLTUHYSA-N 381.472 4.258 10 40 GICB Cc1c(/C=C/c2cccc[n+]2C)c2ccccc2n1CC(=O)N1CCCCCC1 4933041 GIGKOFGGPOCICU-UHFFFAOYSA-N 388.535 4.347 10 40 GICB COC(=O)c1cccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)c1 5009303 ZCDVXXQDNJBRLV-FQEVSTJZSA-N 385.423 4.324 10 40 GICB COc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2OC)SC1=S 16695962 FUXIBYMXKRMPPF-LFIBNONCSA-N 387.482 4.118 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 35038952 ULESTCQEJHGMBA-LICLKQGHSA-N 387.482 4.118 10 40 GICB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(O)c(Br)c1 102354767 AJDDSGSIJNGWSU-ZROIWOOFSA-N 375.247 4.237 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 409343424 HJFLBPGBXSMRTA-YBEGLDIGSA-N 386.454 4.399 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 4541617 IWWBIUCFHKUTLH-SFHVURJKSA-N 376.456 4.128 10 40 GICB CCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N=C1S 9009464 AEEMGKRZJKZPGD-UYRXBGFRSA-N 395.528 4.241 10 40 GICB Cc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)c(C)n1-c1ccc(C(C)C)cc1 24491191 CQEGJRCSNPFBPK-UHFFFAOYSA-N 389.499 4.498 10 40 GICB CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2cccc(Cl)c2)S1 32109974 MQOSNWHGQLHJQD-LICLKQGHSA-N 386.860 4.025 10 40 GICB Cc1cc(C(=O)Nc2cnccc2N2CCCC2)c(C)n1-c1ccc(F)cc1 40151053 GVCWPCMSJJXKSR-UHFFFAOYSA-N 378.451 4.481 10 40 GICB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1cccc(F)c1 409383079 ZBNAEUHWRWMLPR-LZYBPNLTSA-N 383.425 4.338 10 40 GICB O=c1oc2c(CNCc3ccccn3)c(O)ccc2cc1-c1cc(F)cc(F)c1 13722817 OIWZACKSQGLUBE-UHFFFAOYSA-N 394.377 4.129 10 40 GICB Cc1cc(O)c(CN2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1C 16350463 YBNKAJCFPWUAIS-UHFFFAOYSA-N 399.844 4.398 10 40 GICB CCN(CC)CCOC(=O)c1ccc(/N=N\c2cc(C(=O)O)ccc2O)cc1 104345683 NMVWROTXXTUHJG-DQRAZIAOSA-N 385.420 4.004 10 40 GICB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1cccc(Cl)c1 1311435 SBAHRUKIOIPGMV-JYRVWZFOSA-N 394.930 4.241 10 40 GICB CCOC(=O)C(=Cc1cc(C)n(-c2ccccc2Cl)c1C)C(=O)OCC 3177239 VCTXLJZAJZICML-UHFFFAOYSA-N 375.852 4.257 10 40 GICB CCN(CC)CCOC(=O)c1ccc(/N=N/c2cc(C(=O)O)ccc2O)cc1 4769353 NMVWROTXXTUHJG-QURGRASLSA-N 385.420 4.004 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 35040978 NZFNVLYLHHRAPK-CXUHLZMHSA-N 384.438 4.203 10 40 GICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 222818938 QAYQIEQAZBAKGW-RTWAWAEBSA-N 391.544 4.265 10 40 GICB O=C(COc1cccc2c1CCCC2)NCc1ccc(N2CCCCC2)cc1 224604434 ZUFXQJMCLUBNLM-UHFFFAOYSA-N 378.516 4.251 10 40 GICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cccc(C)c2C)C1=O 408810956 VCOITUKBZNWOIC-LFIBNONCSA-N 398.846 4.022 10 40 GICB COc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 6713553 BKVJDXRLWJAQRT-KSMMKXTCSA-N 397.387 4.347 10 40 GICB Cc1c(CC(=O)O)c(=O)oc2c(CNc3ccc(C(C)C)cc3)c(O)ccc12 8792446 QHYVHITUJWXOHC-UHFFFAOYSA-N 381.428 4.170 10 40 GICB biogenic CCOc1ccc(/C=C2\C(=O)N(c3cccc(C)c3)C(C)=C2C(=O)OC)cc1 408764699 ABCWREJKPKHEHL-ZHZULCJRSA-N 377.440 4.271 10 40 GICB Cc1c(Cl)cccc1N1C(=O)/C(=C/c2ccc(Cl)s2)C(=O)NC1=S 409107956 YVOUGYSPRHBRDU-JXMROGBWSA-N 397.308 4.195 10 40 GICB CC1CCN([C@H](c2ccc(N(C)C)cc2)c2nnnn2C2CCCCC2)CC1 4847686 UEJUBCPLBNZMBW-OAQYLSRUSA-N 382.556 4.066 10 40 GICB CCc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 13069766 UNZUAIPSADUPEY-OAHLLOKOSA-N 398.462 4.464 10 40 GICB O=C(O)c1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 33154935 WIOGQBMJQWKHED-ZSOIEALJSA-N 375.858 4.444 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 35038914 BHJMCELMGQJXTQ-QGOAFFKASA-N 385.510 4.148 10 40 GICB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214199 PRPHLCHWMGPFBC-NRFANRHFSA-N 377.488 4.136 10 40 GICB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 1346165 UGKWOQOOXLCXIM-OKILXGFUSA-N 398.488 4.273 10 40 GICB COc1cc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)ccc1O 4040406 NQVUUYKCIYGUES-FDDCHVKYSA-N 394.471 4.230 10 40 GICB biogenic Cc1cc(C)c2c(N)c(C(=O)O[C@H](C)C(=O)Nc3c(C)cccc3C)sc2n1 12551506 CKLFOUNTUUOMNC-CQSZACIVSA-N 397.500 4.296 10 40 GICB Cn1cc(/C=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21 13777744 OZIHNNXZBHVMBI-WJDWOHSUSA-N 388.514 4.025 10 40 GICB COc1ccccc1C1(O)CCN(Cc2cc(F)c(N3CCCC3)cc2C)CC1 19567060 FFNMTRABRMYMPU-UHFFFAOYSA-N 398.522 4.227 10 40 GICB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 222597985 LJOOGVLKWLAFRE-ONGXBYRLSA-N 389.528 4.473 10 40 GICB Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 409019973 LEENLNFNHMALKF-DEDYPNTBSA-N 375.403 4.331 10 40 GICB COC(=O)c1cc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)ccc1Cl 409334930 XAGIOTLYBASPDV-ZSOIEALJSA-N 393.873 4.218 10 40 GICB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c(OC)c1 225694314 VTGBQTCVEMXICF-OAHLLOKOSA-N 385.533 4.352 10 40 GICB Cc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(O)cc2)cc1 408759201 ZRMRPJUBCGAZQP-KGENOOAVSA-N 399.406 4.443 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1ccccc1OCc1ccccc1 408985483 KTNPEDSSTJLQAH-ZHZULCJRSA-N 391.467 4.347 10 40 GICB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1809316 PXZPADMDHIFZPJ-GHXNOFRVSA-N 390.313 4.148 10 40 GICB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 6781020 KRHMOMNFYMXPML-UHFFFAOYSA-N 380.419 4.453 10 40 GICB CCc1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 104645489 LOEWZPHDACAWKX-HMAPJEAMSA-N 399.519 4.427 10 40 GICB CCOC(=O)Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)c2ccccc21 27836086 SJVKKBZDWMLBRX-MOSHPQCFSA-N 387.439 4.011 10 40 GICB O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 27834314 CAIURDQEOIMIME-HXUWFJFHSA-N 387.395 4.292 10 40 GICB Cc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137337 WBEHQHXJGUQMLM-XMMPIXPASA-N 391.559 4.334 10 40 GICB [N-]=[N+]=NCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 102828911 OQQWRNKEIVZMBU-MRXNPFEDSA-N 384.237 4.437 10 40 GICB CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225417645 JXBOGKSWNSTZJR-UHFFFAOYSA-N 397.544 4.340 10 40 GICB O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 4718528 PJWMSJZDTARCKR-DCGLDWPTSA-N 381.344 4.028 10 40 GICB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 5489246 AFPOCWRIFSKKEV-GULXKOIASA-N 391.445 4.150 10 40 GICB CC(C)C[C@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96116102 HMSGCODURXTTLR-LBPRGKRZSA-N 396.395 4.016 10 40 GICB biogenic COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c(OC)c1 225415933 XLYDFKQLZJVRLI-UHFFFAOYSA-N 385.533 4.181 10 40 GICB Cc1ccc2oc(C(=O)N(C)Cc3ccc(N4CCCCC4)cc3)cc(=O)c2c1 10962716 GCZNVNZUZUTSRN-UHFFFAOYSA-N 390.483 4.364 10 40 GICB Oc1cc2c(cc1CN1CCN(c3cccc(C(F)(F)F)c3)CC1)CCC2 2646994 YODDICMHJSCMLR-UHFFFAOYSA-N 376.422 4.222 10 40 GICB COC(=O)c1cc(N/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl 5601827 AXYJJTWNZMMXTO-WQRHYEAKSA-N 397.862 4.462 10 40 GICB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(NC(C)=O)cc1 905527 NIBVNKBZFXKHPQ-UHFFFAOYSA-N 394.500 4.259 10 40 GICB Cc1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1F 3368878 DSYNCGGORGTEEG-UHFFFAOYSA-N 398.409 4.476 10 40 GICB COc1ccccc1C1(NCc2ccc(N3CCOCC3)c(F)c2)CCCC1 12328359 VMIDBPGORNIVNN-UHFFFAOYSA-N 384.495 4.230 10 40 GICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F 222738697 VCARDRRBUMKDHQ-VQTJNVASSA-N 380.492 4.231 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC 2067494 UOLABPWWTVGMJX-LFIBNONCSA-N 387.482 4.118 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c1 5551907 SFHFWLVQFBCKRK-YBEGLDIGSA-N 384.438 4.203 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)ccc1C 15008447 ILXOEDWICMUGHQ-LDADJPATSA-N 384.526 4.475 10 40 GICB Oc1ccc(Br)cc1CNC[C@@H](c1cccs1)N1CCCC1 69374308 GJONCGJHWMLVOV-HNNXBMFYSA-N 381.339 4.143 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)C(C(=O)OC)=C1C 409015832 BRQWEGHPPRPCTB-ODLFYWEKSA-N 398.890 4.440 10 40 GICB Cc1ccc(N2C(=O)/C(=C/N3CCN(c4ccccc4)CC3)SC2=S)cc1 618255368 ZAXINIKPGBRRGR-CYVLTUHYSA-N 395.553 4.023 10 40 GICB CCN(CC)CCn1c(NC(=O)Nc2cccc(C(C)=O)c2)nc2ccccc21 32502534 MMCQBBYJRLXIQI-UHFFFAOYSA-N 393.491 4.225 10 40 GICB COc1ccc(N2CCN(c3cc(C)nc(-c4ccc(Cl)cc4)n3)CC2)cc1 57519793 AGLOJOSHPRLITJ-UHFFFAOYSA-N 394.906 4.441 10 40 GICB CN1CCN(c2ccc(CNC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)CC1 216927551 YZMGVMADBYMYDH-NTEUORMPSA-N 391.559 4.066 10 40 GICB CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3ccc(N(C)C)cc3)o2)cc1 32722617 NCKNKJKRWPEHRY-UHFFFAOYSA-N 376.456 4.487 10 40 GICB COc1ccc(C2(Nc3ccc(F)cc3F)C(=O)c3ccccc3C2=O)cc1 7003037 RVRXWCUOWZHEDS-UHFFFAOYSA-N 379.362 4.360 10 40 GICB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C2=O)c1 4675608 JYFYPZOZODFWEJ-PDGQHHTCSA-N 390.370 4.061 10 40 GICB Cc1nc(-c2ccc(S(=O)(=O)N=[N+]=[N-])cc2)c(-c2ccc([N+](=O)[O-])cc2)o1 4287947 NWEZFFGKELLGLJ-UHFFFAOYSA-N 385.361 4.224 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 5516293 BLFBPJVNJCEJGE-YNQUSLBMSA-N 391.500 4.350 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 2702081 ZIDIQGKWOLAUAQ-BOPFTXTBSA-N 384.482 4.059 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4C)CC3)=NC2=O)cc1 5516101 PLIWYZZFXOUFMF-PGMHBOJBSA-N 391.540 4.350 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O 13940612 QDJWOLKXPNJPAH-NTEUORMPSA-N 377.874 4.460 10 40 GICB COc1ccc(N(CC(=O)N(C)Cc2ccsc2)Cc2ccccc2)cc1 22376038 XXXQTRWTCIOPAO-UHFFFAOYSA-N 380.513 4.422 10 40 GICB CCOc1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1OCC 59135268 XZRALLYGEQMUPB-LFIBNONCSA-N 398.390 4.130 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(-n2nncc2C(C)(C)C)cc1 103442112 LIGNWVDSHIKWLP-XSFVSMFZSA-N 385.471 4.371 10 40 GICB Cc1cc(C(=O)Cn2cc(C(F)(F)F)ccc2=O)c(C)n1-c1ccc(F)cc1 3347702 BFBVNUQWGIBTIL-UHFFFAOYSA-N 392.352 4.297 10 40 GICB COc1ccccc1NC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1 5000385 OZKPMMFFXPSNDN-UHFFFAOYSA-N 392.455 4.128 10 40 GICB CCc1cc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)ccc1OC 223688593 MVLXCETVDNZREQ-UHFFFAOYSA-N 395.480 4.289 10 40 GICB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O 106379707 STDXQAUQORCAOG-LGMDPLHJSA-N 398.846 4.185 10 40 GICB O=C(NCCc1ccc(O)c(O)c1)[C@@H](Sc1ccccc1)c1ccccc1 3361296 PLJVVCVVLJRJAE-NRFANRHFSA-N 379.481 4.290 10 40 GICB COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)c2c1 13570774 DXTBZQLGYZCRRL-CAOOACKPSA-N 382.466 4.288 10 40 GICB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1Br 32914696 BGDYUZFJDNRDBZ-UHFFFAOYSA-N 377.257 4.118 10 40 GICB Cc1ccccc1-n1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222736973 JCJHHDSWIRAYNZ-NHCUHLMSSA-N 376.529 4.400 10 40 GICB CCOc1c(Cl)cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1OC 96121212 FXJRPAYYBRTHLP-XNTDXEJSSA-N 380.897 4.250 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1OC 5371401 HSXUGSJZIBHQQC-WQRHYEAKSA-N 399.493 4.312 10 40 GICB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1ccc(F)cc1Cl 6862848 AESLIFGTIXXJKN-GIDUJCDVSA-N 379.796 4.127 10 40 GICB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccnc1 20058655 OLASJQFUQSXNEL-YBFXNURJSA-N 392.846 4.240 10 40 GICB CCN(CCNC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccc(OC)cc1 224992588 PPZJSQFFWAJUBS-UHFFFAOYSA-N 390.911 4.149 10 40 GICB CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 2084467 SZCVCLMCEZOIJB-CHWSQXEVSA-N 393.505 4.023 10 40 GICB Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccc([N+](=O)[O-])cc1 3848943 UWXSZZITEQYONC-QURGRASLSA-N 375.348 4.008 10 40 GICB CCc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)S2)cc1 5794732 ZJEQYWGJESTIPV-LDADJPATSA-N 398.484 4.357 10 40 GICB Cc1cc(/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1 13895487 KPVBFKMOHYGSGJ-JMCWYTMQSA-N 391.500 4.369 10 40 GICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C4CCCC4)c3C)C2=O)c1 408777412 YMJCBHLKJJWTDS-DEDYPNTBSA-N 391.471 4.195 10 40 GICB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1 35039041 PPSYSROMLBSNEP-WOJGMQOQSA-N 399.493 4.312 10 40 GICB CCn1cc([C@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 71785149 ALURYFJQWDHASB-HXUWFJFHSA-N 391.431 4.181 10 40 GICB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NC2CCCC2)cc1 17076801 SPEOEWXZBKQIIM-PGMHBOJBSA-N 375.472 4.252 10 40 GICB Cc1ccc(O)c(CN2Cc3ccccc3OC3(CCC(N(C)C)CC3)C2)c1 19133613 IIGYYAVSRKJALU-UHFFFAOYSA-N 380.532 4.338 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@H]3C=CC[C@H]32)cc1 6965796 HRAHXOUTRNYOAV-FVJLSDCUSA-N 377.440 4.395 10 40 GICB O=C1OC(c2ccc(F)cc2)=C/C1=C/c1ccc(I)o1 4662543 ZIZNERDVZAAESN-YFHOEESVSA-N 382.128 4.005 10 40 GICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccccc1Cl 4745496 RSXDQEYIVRUDSF-GXDHUFHOSA-N 392.889 4.163 10 40 GICB COC(=O)c1ccc2c(c1)CCCN2Cc1c(O)ccc2ccc(OC)cc12 83970362 ZPVKUOOFJIPCMT-UHFFFAOYSA-N 377.440 4.293 10 40 GICB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 4863264 FGEKTVXRLJSVQV-QNGOZBTKSA-N 399.406 4.438 10 40 GICB Cc1cccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@@H]3C=CC[C@H]32)c1 14944355 MRNCWLHCXNCXOA-HMFYCAOWSA-N 376.456 4.026 10 40 GICB Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)c1 38177984 QEHMOBDVVBXDSB-LICLKQGHSA-N 380.469 4.297 10 40 GICB Cc1cc(N2CCOCC2)ccc1[C@H]1Nc2cc(Cl)ccc2-c2ccnn21 30952912 FLYSPJBZRMUGBW-NRFANRHFSA-N 380.879 4.321 10 40 GICB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1C 28287895 APPLYISIDPXRID-UHFFFAOYSA-N 389.499 4.377 10 40 GICB COC(=O)c1ccc(NCc2c(O)ccc3c2oc(=O)c2ccccc23)cc1 8741413 PXRKAPKEWMSSMM-UHFFFAOYSA-N 375.380 4.051 10 40 GICB Cc1cc(C(=O)CO[C@H](C)Cc2ncc[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 89578084 ZOJWMCRVSLKTGJ-CYBMUJFWSA-N 389.858 4.440 10 40 GICB COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)c([N+](=O)[O-])cc1OC 832821 OLRFFRGCBBZJLO-RQZCQDPDSA-N 395.415 4.035 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccccc3F)SC2=S)c(OC)c1 5371760 JUGXNVWEHBHWAO-SXGWCWSVSA-N 375.446 4.249 10 40 GICB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(O)c(CN(C)C)ccc12 3079277 UTCBMPFTTVZDAJ-UHFFFAOYSA-N 398.484 4.098 10 40 GICB O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1cccs1 112968288 KHDQRICSQOPMQR-UHFFFAOYSA-N 377.874 4.433 10 40 GICB C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2)cc1 225695166 NSKBBJNHDIEJNO-OAHLLOKOSA-N 383.517 4.106 10 40 GICB Cc1ccc(-n2cccc2/C=C2/C(=N)N3N=C(C(C)C)SC3=NC2=O)cc1 13281049 LFLAWWCWAWCTAM-XGMUFTHNSA-N 377.473 4.061 10 40 GICB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC2CCCC2)cc1 17080371 SRSMIDODUWVJFU-QNGOZBTKSA-N 393.462 4.391 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 5261909 ZHQUZRLIWYNICE-UHFFFAOYSA-N 375.472 4.183 10 40 GICB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\C=C/c2ccccc2)SC1=S 6495809 KYPFHZXHBBGHQE-JTDAKRDYSA-N 381.478 4.270 10 40 GICB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCO2)C3 2124806 YRYREFBTPLLBIK-UHFFFAOYSA-N 379.412 4.221 10 40 GICB biogenic COc1ccc(Br)cc1/C=C1\SC(NC2CCCCC2)=NC1=O 6579337 WKCKTDHMQIMZHQ-GDNBJRDFSA-N 395.322 4.350 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 5161737 VWCVHCGDJOZJNW-WCCNDZKRSA-N 397.891 4.387 10 40 GICB c1csc([C@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2)n1 19334669 VYZFCJUKFOEIQV-IBGZPJMESA-N 385.558 4.115 10 40 GICB CCOc1ccccc1/C=C1\C(=O)N(c2ccccc2F)C(C)=C1C(=O)OC 14010055 DPWRLOMTWHGLLT-SSZFMOIBSA-N 381.403 4.102 10 40 GICB O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc2ccc(Cl)cc2s1 23127177 IXZSBABXSPBVFH-UHFFFAOYSA-N 378.837 4.006 10 40 GICB Cn1c(=O)n(C)c2cc(-n3c(-c4ccccc4)cc4c3CC(C)(C)CC4=O)ccc21 33783283 VXSZBUYWTGHOGS-UHFFFAOYSA-N 399.494 4.490 10 40 GICB Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@@H]2c1ccc2c(c1)OCO2 102907269 LTXISQBKRVUWGH-FDDCHVKYSA-N 386.407 4.363 10 40 GICB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccc(F)cc3)C2=O)c2ccccc21 2596162 ZGPOJPRGCVKXTR-LDADJPATSA-N 391.402 4.061 10 40 GICB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 3510779 LEHKWUPWFGULOF-UHFFFAOYSA-N 395.386 4.002 10 40 GICB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC 217879503 GMDPYWCAURWVNI-KRWDZBQOSA-N 382.504 4.431 10 40 GICB O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 409339483 IVIKVYTUQCUZBV-VIZOYTHASA-N 375.858 4.475 10 40 GICB COc1ccccc1N1C(=O)/C(=C\c2cnc3ccccc3n2)SC1=S 13690156 MYUMOXWFMBEJPM-LICLKQGHSA-N 379.466 4.044 10 40 GICB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(-n2c(C)ccc2C)cc1 5699938 NHGHRBRKBOKKIS-UHFFFAOYSA-N 375.472 4.079 10 40 GICB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CCCC(=O)O)C3=O)o2)cc1 5032708 IDCVIGVIJDCVMJ-LFIBNONCSA-N 387.482 4.321 10 40 GICB COc1cccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)c1OC 13777177 JPCKPIYPUSNZLK-LGMDPLHJSA-N 385.510 4.148 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1 100176353 XFQRBYZAOBRTBU-ZHZULCJRSA-N 377.440 4.271 10 40 GICB Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225795615 PJHPUSRFUIMCOT-UHFFFAOYSA-N 392.366 4.489 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 59959159 BOKIAAAXMLSOPI-YBEGLDIGSA-N 398.802 4.125 10 40 GICB CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cc3ccccc3o2)cc1 8342363 BNFWUJZDURYFHN-HXUWFJFHSA-N 378.472 4.320 10 40 GICB Cc1ccc(N2NC(=O)/C(=C/c3ccc(-c4ccccc4F)o3)C2=O)cc1C 4460738 MVYORXUTDVMMFU-PDGQHHTCSA-N 376.387 4.164 10 40 GICB O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)N=C(c2ccccc2)N1c1ccc(O)cc1 408754718 HFDHGYFKXUVRFF-XSFVSMFZSA-N 385.379 4.135 10 40 GICB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1 260781618 UBXFJOUWZFLNCY-JSNMRZPZSA-N 382.508 4.410 10 40 GICB O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1cccc2ccccc12 1173584 SQRBHZIFOMAGRM-FOWTUZBSSA-N 376.799 4.160 10 40 GICB CCn1cc(/C=C2/C(=O)NN(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 5333781 ISEIGOJQNXIJGF-YVLHZVERSA-N 379.847 4.084 10 40 GICB Cc1ccc(C)c(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)c1 5552110 CLDKXOHTEAFISB-NXVVXOECSA-N 384.457 4.171 10 40 GICB Cc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1S(=O)(=O)c1ccccc1 23042547 JWXFTIQFZKRXNK-NRFANRHFSA-N 392.480 4.241 10 40 GICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 222819004 QAYQIEQAZBAKGW-LEWJYISDSA-N 391.544 4.265 10 40 GICB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O 408806125 AVQDKWAOTRTZFE-SFQUDFHCSA-N 398.846 4.104 10 40 GICB CCOC(=O)c1ccc(N2CC=C(c3c[nH]c4ccc(OC)cc34)CC2)nc1 78876586 SOYPYSAMBGWAHT-UHFFFAOYSA-N 377.444 4.042 10 40 GICB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 35040892 IMLCYGLVWHRUQW-LICLKQGHSA-N 398.509 4.165 10 40 GICB CN(C)c1ccc([C@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 6351424 FKIBCVJAHVKGOY-MRXNPFEDSA-N 382.514 4.188 10 40 GICB Cc1cccc(OCCOc2ccc(/C=C3\SC(=S)N(C)C3=O)cc2)c1 26675791 RWZHJSMQUMTMLC-AQTBWJFISA-N 385.510 4.284 10 40 GICB CCOC(=O)c1c(C)[n+](-c2ccc(C)cc2)c(CC)c2cc(OC)c(OC)cc12 2102470 WBMHKFWLRSDTPB-UHFFFAOYSA-N 394.491 4.490 10 40 GICB biogenic CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)SC1=S 5201214 VTRCKSLIOQHFSP-NTUHNPAUSA-N 379.846 4.129 10 40 GICB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cc(C)n(-c2ccccc2)c1C 24743515 UENDASSGGZMJNI-UHFFFAOYSA-N 389.499 4.422 10 40 GICB CN(CCCN(C)/N=N\c1ccccc1C(=O)O)/N=N\c1ccccc1C(=O)O 100374475 LLWSHWXPHQQTEL-YEUCEMRASA-N 398.423 4.034 10 40 GICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 101623841 OXCVNCNTECJPTG-UYRXBGFRSA-N 394.475 4.264 10 40 GICB Cc1ccccc1-n1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222737038 JCJHHDSWIRAYNZ-RTWAWAEBSA-N 376.529 4.400 10 40 GICB CN(C)c1ccc(/C=C2/SC(NCCc3cc4ccccc4[nH]3)=NC2=O)cc1 1414884 XZSXAEBFVUBXNQ-DEDYPNTBSA-N 390.512 4.037 10 40 GICB CCN1C(=O)/C(=C/c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 5312020 BFCUCAXKVNZMRB-JYOAFUTRSA-N 386.281 4.321 10 40 GICB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(N(C)C)cc2)sc2c1CCC2 3175849 TXVJYOQALNXXQD-JLHYYAGUSA-N 384.501 4.131 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 970459 WITLRGDPMQYEJW-CXUHLZMHSA-N 375.446 4.249 10 40 GICB COc1cccc(/C=C2/C(=O)N(c3ccc(Cl)c(Cl)c3)N=C2O)c1O 8210679 JPJOMYYXDDSUJY-YRNVUSSQSA-N 379.199 4.009 10 40 GICB CCc1cccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1 13069764 UNZUAIPSADUPEY-HNNXBMFYSA-N 398.462 4.464 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1OC 13689715 XNRYPVXRBVFMSC-DHDCSXOGSA-N 375.446 4.249 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1O 975316 UNNWFKSMSIWSEF-RIYZIHGNSA-N 377.874 4.460 10 40 GICB CCN1C(=O)/C(=C/c2cc(Cl)c(O)c(Br)c2)SC1=S 409375561 MNICZIDSFVRDHZ-UITAMQMPSA-N 378.700 4.029 10 40 GICB O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C/c1cccs1 4608529 DDEYIRDVKLBIOS-FOWTUZBSSA-N 389.933 4.194 10 40 GICB CC(C)c1ccc(/C=C2\SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 5551860 FTIJAHZKZAFKQS-PDGQHHTCSA-N 396.537 4.285 10 40 GICB CCOC(=O)c1cc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)ccc1Cl 12410684 SACXGDVJTJZXLG-ZSOIEALJSA-N 393.873 4.266 10 40 GICB Cc1cc(C)c(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c(C)c1 35103644 XMFBEWJKRBNHPO-HMAPJEAMSA-N 399.494 4.481 10 40 GICB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)cc1 408752400 IGZWTAZLECNTOI-KGENOOAVSA-N 388.398 4.374 10 40 GICB COCCN1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 2824641 PXTKMHJAOUDVLP-GDNBJRDFSA-N 379.890 4.448 10 40 GICB COc1cc(N2CCCC2)ccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222593887 JASAKRMAVDZIMO-JHVJFLLYSA-N 394.544 4.280 10 40 GICB CCOc1cc(/C=C2/SC(NC3CCCC3)=NC2=O)cc(Cl)c1OC 96121211 GGRMQTKNNJDISP-XNTDXEJSSA-N 380.897 4.250 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)c1 5373618 STFWPCPQWLUDJF-SXGWCWSVSA-N 385.466 4.108 10 40 GICB O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Br)cn1 4945294 IEVQDKYXKYBDBQ-UHFFFAOYSA-N 397.685 4.105 10 40 GICB O=C(N[C@@H](C(=O)O)c1ccccc1O)OCC1c2ccccc2-c2ccccc21 95748936 XKHOSASNJXLXNK-OAQYLSRUSA-N 389.407 4.057 10 40 GICB CCOc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCC5)C2)cc1 2118304 WVZXPUKVISSWHZ-UHFFFAOYSA-N 377.440 4.345 10 40 GICB biogenic COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccc(O)cc3)C2=O)c1 408761615 HFNGIHQRDBEOKT-KGENOOAVSA-N 388.398 4.374 10 40 GICB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)C1=O 409244194 ZFEQMBHNURZORA-NTEUORMPSA-N 378.259 4.314 10 40 GICB Cc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3O)C2)c1 95115933 OEPLUODREPWPEB-NRFANRHFSA-N 392.480 4.241 10 40 GICB CCOC(=O)CCCN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5370973 LQZUADAUWRICTI-QLKCLSONSA-N 375.515 4.177 10 40 GICB COc1cc(O)c(CN2CCC[C@H](C)C2)c2oc(-c3ccccc3)cc(=O)c12 13623872 OKRRRPUAENUYAD-HNNXBMFYSA-N 379.456 4.406 10 40 GICB biogenic CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 5551905 ORSKYFYBRCYPNS-YBEGLDIGSA-N 384.438 4.203 10 40 GICB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3ccccn3)C2=O)cc1 9423155 GKVLNJQQTFELKZ-PGMHBOJBSA-N 384.439 4.227 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1 44855833 BOOBCMGNUXVWMY-LJQANCHMSA-N 388.515 4.098 10 40 GICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)NC1CCCCC1 2355222 GVIGRHICOQRZSX-QINSGFPZSA-N 394.587 4.178 10 40 GICB COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC 8164855 JERNQSRYJIDFIW-KRWDZBQOSA-N 379.547 4.056 10 40 GICB CCCCN1C(=O)/C(=C/c2ccc3c(c2)N(CCC)CCC3)C(O)=NC1=S 9015977 IIRYXHQOYWRBCQ-GHRIWEEISA-N 385.533 4.116 10 40 GICB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NNc1ccc(C)cc1 408531493 KPMMNHKUAOAQSV-BOPFTXTBSA-N 399.292 4.289 10 40 GICB Cc1cccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 1262933 NKKQRGDDOHOBAI-AWTFBBCTSA-N 394.521 4.391 10 40 GICB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 5192514 PQWHXEAUCHREIR-UHFFFAOYSA-N 391.423 4.332 10 40 GICB CN(C)c1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1 5393723 XMGVMXJGBXHXHE-UHFFFAOYSA-N 399.494 4.050 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3n[nH]c4ccccc34)c2C)cc1 6315195 NWWBJSNZGDYCGJ-UHFFFAOYSA-N 387.439 4.319 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccccc1 103917911 YWQLCSIOWNLLCG-XLNRJJMWSA-N 377.488 4.304 10 40 GICB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1F 260801772 MNGVITWVTZQGEM-DOTOQJQBSA-N 390.524 4.410 10 40 GICB COc1ccccc1NC[C@@H](O)COc1ccc(OCc2ccccc2)cc1 28120560 HGEUJCSOBFHKQD-LJQANCHMSA-N 379.456 4.126 10 40 GICB CC(C)CCN/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 4705499 OUAXYJSQVWTSNJ-PKNBQFBNSA-N 382.411 4.081 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1OC 13617887 LBZGBORYVHGXHU-GDNBJRDFSA-N 375.446 4.249 10 40 GICB Oc1ccccc1C1=NN2[C@H](c3ccc4c(c3)OCO4)Oc3ccccc3[C@H]2C1 10215220 LTXISQBKRVUWGH-JPYJTQIMSA-N 386.407 4.363 10 40 GICB Cc1ccccc1N1C(=O)/C(=C/c2c(C)[nH]c3ccccc23)C(O)=NC1=S 1297360 VPKAIZLJBGGNDC-LFIBNONCSA-N 375.453 4.456 10 40 GICB Cc1cccc(COc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)c1 13897603 ITMLWGWTDWJSRZ-JCMHNJIXSA-N 384.435 4.035 10 40 GICB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1O 409376132 UVJJYSQUHIQEBF-RGEXLXHISA-N 385.419 4.423 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1/C(=O)N=C(O)N(CCC2=CCCCC2)C1=O 17045776 CKGVFVBKQTXKRI-AQTBWJFISA-N 377.444 4.033 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 35040919 ORSKYFYBRCYPNS-MHWRWJLKSA-N 384.438 4.203 10 40 GICB Cc1cccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@@H]3C=CC[C@@H]32)c1 103020605 MRNCWLHCXNCXOA-FGSXEWAUSA-N 376.456 4.026 10 40 GICB COc1ccc(/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)N=C2O)cc1 17123467 MIMLMSSDOFMKAA-OQLLNIDSSA-N 390.317 4.221 10 40 GICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(Cl)ccc2OC(C)C)C1=O 408807980 PLWCTASUUPBRNA-LFIBNONCSA-N 398.846 4.102 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 409057995 QYUZHKFTFJWPNI-ZDLGFXPLSA-N 398.890 4.358 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 2347124 YTEVDGLBPXBAMI-WJDWOHSUSA-N 381.482 4.367 10 40 GICB O=C1[C@H](Nc2ccc(Br)cc2)SC(=S)N1c1ccccc1 6896671 RTBCBKQJJBXJLH-CYBMUJFWSA-N 379.304 4.252 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)c1 13724423 FJNBXRNCWJSSGP-VCHYOVAHSA-N 391.477 4.238 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 35040922 SFHFWLVQFBCKRK-MHWRWJLKSA-N 384.438 4.203 10 40 GICB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cccc3c2CCCC3)cc1 223563674 SOICKRQXORIVBX-SFHVURJKSA-N 380.532 4.495 10 40 GICB COc1cc([C@@H]2CC(c3cc(Cl)cc(Cl)c3O)=NN2)cc(OC)c1OC 1096603 ZLDQGFVTZJSTLJ-ZDUSSCGKSA-N 397.258 4.164 10 40 GICB biogenic Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)Nc3cccc(F)c3)c2C)cc1 3266717 WORONBAFDMHEAZ-UHFFFAOYSA-N 380.419 4.337 10 40 GICB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3ccccc3O)C2)cc1 4248184 DZQVVFKRTCZLEB-NRFANRHFSA-N 392.480 4.241 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 8117803 DQFGDBRGOKFZCG-ATVHPVEESA-N 383.429 4.311 10 40 GICB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2)C1=O 408959615 BZOPBAFUAVDRMX-MOSHPQCFSA-N 395.890 4.342 10 40 GICB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1-c1ccccc1 409069708 VLOAVJUXBYMCSN-BKUYFWCQSA-N 389.430 4.326 10 40 GICB Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1[N+](=O)[O-] 58865534 NOXZFCNFRYYVFP-UHFFFAOYSA-N 397.383 4.307 10 40 GICB O=C(O)c1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 16905800 RDRRSKKCONROBS-NTEUORMPSA-N 375.858 4.444 10 40 GICB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OC)cc2O)cc1 3999726 UPXMYVPGRWFYCY-NRFANRHFSA-N 376.412 4.181 10 40 GICB biogenic,in-vitro CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 2277112 WSUSXXWYVNTHRW-QGOAFFKASA-N 381.407 4.179 10 40 GICB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1c(O)cccc1OC)NC2 4191593 YUDFNRUFPQHGDK-HSZRJFAPSA-N 394.471 4.182 10 40 GICB Cc1ccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)o1 9189255 BUDFYRBKXIUZPU-ATVHPVEESA-N 387.892 4.034 10 40 GICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(Br)cn1C 12813844 RRMLWYZDQSNIMB-UHFFFAOYSA-N 390.325 4.050 10 40 GICB O=C(c1ccc(Cl)cc1)N1CCN(Cc2c(O)ccc3ccccc23)CC1 25474452 LPKQOWBXAOLQJC-UHFFFAOYSA-N 380.875 4.157 10 40 GICB CN(c1ccc(CNC(=O)c2c[nH]c3ccccc3c2=O)cc1)C1CCCCC1 83868088 WDLFVXCXKWAGMF-UHFFFAOYSA-N 389.499 4.227 10 40 GICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccccc2OC(C)C)C1=O 408810881 JSVZHJSTXRZPRN-RVDMUPIBSA-N 398.846 4.102 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3cc4ccccc4oc3=O)SC2=S)cc1 409342752 GGZNMCPGFWIVSQ-BOPFTXTBSA-N 395.461 4.207 10 40 GICB COc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(c4ccccc4)C3=O)c2C)cc1 638967 MQURDZXAUBAZGN-KGENOOAVSA-N 387.439 4.200 10 40 GICB CCCCCCc1cc(/N=N\c2ccc(S(N)(=O)=O)cc2)c(O)cc1O 104090600 BZVODXSVYXYGLN-MRCUWXFGSA-N 377.466 4.283 10 40 GICB Cc1ccc(C(=O)c2ccccc2)c(N/C=C/c2nnnn2-c2ccccc2)c1 100399883 SNGNBZCZYKAOPH-CCEZHUSRSA-N 381.439 4.285 10 40 GICB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-n3c(C)ccc3C)cc1)CC2 8779574 ZRONHLPEFZNCEX-UHFFFAOYSA-N 390.483 4.310 10 40 GICB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(N2CCC[C@@H](C)C2)cc1 225402710 TXFXIHTUYKUYAF-SJORKVTESA-N 380.488 4.185 10 40 GICB Cc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccccc2)SC1=S 5005474 LGCIBRIQSGDGCY-GHRIWEEISA-N 382.510 4.225 10 40 GICB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)N=C2c2ccccc2)cc1 5639333 NGGBKRAZGNEHIF-JCMHNJIXSA-N 397.434 4.185 10 40 GICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1cccc(Cl)c1 6132492 SBAHRUKIOIPGMV-MDWZMJQESA-N 394.930 4.241 10 40 GICB Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 408822733 UVBMCJFTWUCBLT-SFQUDFHCSA-N 382.510 4.103 10 40 GICB CCOc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 6781019 ORBVBCDIAFDFTL-UHFFFAOYSA-N 380.419 4.453 10 40 GICB O=[N+]([O-])c1ccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)cc1 1453182 PXPJTYCQDNCAHK-UHFFFAOYSA-N 393.468 4.353 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c1 13712546 KUQSMAGRAOIMHF-SXGWCWSVSA-N 375.446 4.249 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 248177467 AZVZWAAPZJYULP-CLCXKQKWSA-N 380.400 4.217 10 40 GICB Cc1cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=S)N=C2O)c(C)n1C(C)C 1278551 LRRIFIIWZNRQQT-RQZCQDPDSA-N 385.464 4.497 10 40 GICB N=C1/C(=C/c2ccc(Cl)cc2Cl)C(=O)N=C2SC(C(F)(F)F)=NN12 5649176 ZZVCMOMWNNFLFK-KDYIHULFSA-N 393.177 4.175 10 40 GICB COC(=O)/C=C/c1ccc(N2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1 5393965 CPHPNKHJYVHEDA-CSKARUKUSA-N 396.443 4.174 10 40 GICB CCOc1ccccc1NC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1 22418417 YQHPFPBNDFESQF-NRFANRHFSA-N 396.535 4.110 10 40 GICB COc1ccc(N2CCN(Cc3csc(Cc4ccccc4)n3)CC2)cc1 40105757 CATPTJSWKULDHE-UHFFFAOYSA-N 379.529 4.065 10 40 GICB COc1ccc(N2CCN(C(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 42124303 PVTCVXDCCCRYOL-LJQANCHMSA-N 396.531 4.243 10 40 GICB COC(=O)Cc1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12 2262040 LCPQQYOICPPWPQ-UHFFFAOYSA-N 385.485 4.208 10 40 GICB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409018368 WORBHFTYHCNUTA-MBNTZHJCSA-N 397.500 4.028 10 40 GICB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C/c1c(F)cccc1Cl 408891738 CLRQBISKKVLPRQ-LFIBNONCSA-N 385.822 4.352 10 40 GICB CCCCCOC(=O)CN1C(=O)/C(=C/c2ccc(OCC)cc2)SC1=S 5370680 BRRMAJSSLAXHIL-VBKFSLOCSA-N 393.530 4.020 10 40 GICB CCN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(F)cc3)cc2)SC1=S 5201212 IVAMPNUHHHYJPZ-LFIBNONCSA-N 387.457 4.266 10 40 GICB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)c1ccc(O)c(O)c1 7160747 QXMJVFUIPOIODY-UHFFFAOYSA-N 380.347 4.035 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(F)c1 408585158 BQDJAEOXCLAPPF-UYRXBGFRSA-N 381.403 4.102 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCC)cc1 12411671 IZCWVICLDQTZNW-HKWRFOASSA-N 377.440 4.353 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2ccc(Br)o2)SC1=S 4691262 NJTRSVQTJCBOTK-WQLSENKSSA-N 396.287 4.457 10 40 GICB COc1cccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)c1 9420046 QDWCSKXJJCSBSN-VCHYOVAHSA-N 381.478 4.420 10 40 GICB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)c1 23382743 ZPNXGOHIOSMEPM-LDADJPATSA-N 398.484 4.327 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Br)c1 408895162 UCQOQEHSBJOPEY-ATVHPVEESA-N 398.256 4.326 10 40 GICB CCOc1cc(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)ccc1O 38173031 NZGSUXBKIGAUQJ-LFIBNONCSA-N 396.468 4.025 10 40 GICB COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225671986 ACDMPTAJBJJZJQ-HZPDHXFCSA-N 384.549 4.374 10 40 GICB CCc1ccccc1NC(=O)CN1C(=O)/C(=C\c2cccs2)SC1=S 6081289 XKLXTJDLYXACJD-XNTDXEJSSA-N 388.539 4.150 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 9188355 NBTXKZRYFBUJCJ-JXAWBTAJSA-N 385.510 4.366 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(OCC)c1O 14406568 LSLVVKLIDPTUDI-JXAWBTAJSA-N 393.439 4.058 10 40 GICB O=C1/C(=C/c2ccc(Br)s2)SC(=S)N1c1cccnc1 21274523 DQFNISGFNLXGEX-POHAHGRESA-N 383.317 4.311 10 40 GICB CCN(CC)c1ccc(CN(C)C(=O)c2cnc3c(cnn3C(C)C)c2)cc1 32277210 UYHOVFMBWKOKRB-UHFFFAOYSA-N 379.508 4.131 10 40 GICB CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@@H](C)CC2=O 2561619 FSRKABDFQQBHNA-GFCCVEGCSA-N 395.377 4.247 10 40 GICB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214200 PRPHLCHWMGPFBC-OAQYLSRUSA-N 377.488 4.136 10 40 GICB Cc1cc(C(=O)CN2C[C@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 12377631 ALHGGSZZLWYIKB-OKILXGFUSA-N 378.875 4.179 10 40 GICB O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 13693157 ICQBVPCIJJDNEH-NVMNQCDNSA-N 392.461 4.369 10 40 GICB CCOc1ccc(/C=C2\SC(Nc3cc(C(=O)O)ccc3C)=NC2=O)cc1 54164399 WODAJFUSOURQQH-YVLHZVERSA-N 382.441 4.174 10 40 GICB COc1ccc(C(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 81217766 NNQTZTPWCCIXQZ-UHFFFAOYSA-N 381.453 4.035 10 40 GICB C[C@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCCC2)cc1 225696825 VIFGQRACBIKTRL-INIZCTEOSA-N 396.560 4.036 10 40 GICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c(C)n1C1CCCC1 408789136 JRIZEADBQRXZJR-YBFXNURJSA-N 395.434 4.026 10 40 GICB CCN(C(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccccc1 3383783 KHWYEEIVKYYYIL-UHFFFAOYSA-N 376.456 4.304 10 40 GICB COc1cccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)c1 6007315 MLCHIKXBTIANEU-MHWRWJLKSA-N 387.482 4.118 10 40 GICB CC(=O)c1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1 408770663 ZXQXBUFYDWNAGS-UHFFFAOYSA-N 380.396 4.293 10 40 GICB CCOC(=O)c1sc2nc(-c3ccc(Br)cc3)ccc2c1N 972450 UQROPDSWXLLGFP-UHFFFAOYSA-N 377.263 4.485 10 40 GICB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1cccc(Cl)c1 1958838 VASPPWRYUGYNEW-ZSOIEALJSA-N 392.864 4.025 10 40 GICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccccc1F 6348348 RESXERJAXAVCJK-ZROIWOOFSA-N 389.785 4.495 10 40 GICB Cc1c(Cl)cccc1-c1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)o1 6796261 XWVLVRNASGYQJR-VGOFMYFVSA-N 393.873 4.194 10 40 GICB CCOc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 35041437 RZSFYAYSEALBJK-LICLKQGHSA-N 399.493 4.498 10 40 GICB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@@H]2c3c(ccc4oc5ccccc5c34)O[C@@H]12 102059723 OVBSWUMXKZSCFO-SIKLNZKXSA-N 385.331 4.418 10 40 GICB CCCCSC1=NC(C)=C(C(=O)OCC)[C@@H](c2ccc(N(C)C)cc2)N1 408987139 DQUNPMOWUFWNPQ-GOSISDBHSA-N 375.538 4.123 10 40 GICB COc1cc(N2CCCC2)c(OC)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 409108212 VSZRQBSNORPKPY-CPNJWEJPSA-N 391.471 4.110 10 40 GICB Cc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)C(=O)NC1=S 409245646 WYQAKSDMEGNEIZ-GHRIWEEISA-N 388.448 4.086 10 40 GICB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 4959482 PHGUIQBXOQJKPJ-ZWOKBUDYSA-N 377.440 4.476 10 40 GICB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 1809366 JYWSCHSDAPMKDG-PTNGSMBKSA-N 377.531 4.139 10 40 GICB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 222593415 OZHHLQRZIWMION-UAOJZALGSA-N 382.508 4.410 10 40 GICB COc1ccccc1-n1c(C)cc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)c1C 96343635 WWWPMXSHPMVFQG-TZIWHRDSSA-N 395.547 4.097 10 40 GICB CC(C)OC(=O)c1c2c(n3c1ccc1ccccc13)C(=O)c1ccccc1C2=O 12112439 KAMMQEBQHRBTFR-UHFFFAOYSA-N 383.403 4.433 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3cccs3)N3CCCCC3)ccc21 9137688 HNQWKMQYGNYAIP-HXUWFJFHSA-N 383.561 4.088 10 40 GICB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1Cc1ccccc1 409340203 SDWUYAUQGRPMKA-BOPFTXTBSA-N 379.462 4.194 10 40 GICB COc1ccc(N2CCN(C(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)CC2)cc1 42124302 PVTCVXDCCCRYOL-IBGZPJMESA-N 396.531 4.243 10 40 GICB Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3O)c12 53915148 MNXQEGLWWOWFIO-UHFFFAOYSA-N 379.441 4.238 10 40 GICB Cc1cc2oc(=O)cc(-c3ccccc3)c2c(O)c1CN[C@H](CC(C)C)C(=O)O 11866774 WUDBIORGCCUMQZ-GOSISDBHSA-N 395.455 4.063 10 40 GICB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccc(F)cc1 882970 YILSRLGNMWICDP-UHFFFAOYSA-N 396.403 4.262 10 40 GICB CCCN/C(CC)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 5977879 VAVOKUBQGBVQGY-JLHYYAGUSA-N 382.411 4.225 10 40 GICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 222738892 RUYWECJVFXGJLP-UXHICEINSA-N 380.492 4.231 10 40 GICB Cn1cc(/C=C2/SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 2426633 AQIOIKMQRBUQNP-LICLKQGHSA-N 394.477 4.282 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c(C)c1 6130850 RHZGDXDMOWKUCC-OQLLNIDSSA-N 388.539 4.205 10 40 GICB COc1ccc(N2CCN(Cc3cc4c(cc3O)[nH]c3ccccc34)CC2)cc1 57270669 IANMDTXGBAKZSG-UHFFFAOYSA-N 387.483 4.358 10 40 GICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C3CCCC3)c2C)C1=O 408784910 DEBMFWRZCUDJIA-CPNJWEJPSA-N 391.471 4.195 10 40 GICB COc1ccc(N2COc3c(cc4c(C)c(C)c(=O)oc4c3C)C2)cc1OC 2118602 NDHILBFTKCOPAG-UHFFFAOYSA-N 381.428 4.092 10 40 GICB biogenic CCc1ccccc1N/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1CC(=O)OC 112123581 IPWQCEXHPMHFCZ-STZFKDTASA-N 395.434 4.040 10 40 GICB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(c1ccc2c(c1)OCO2)C3 2372640 JRNFRTOJHOZEMI-UHFFFAOYSA-N 397.814 4.020 10 40 GICB COc1ccc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113091 BVLSSVJLWGEKBJ-UHFFFAOYSA-N 384.545 4.235 10 40 GICB Cc1ccc(-n2c(C)cc([C@@H]3NC(N)=Nc4nc5ccccc5n43)c2C)c(C)c1 13124387 IQCCIAHFNGIBEN-OAQYLSRUSA-N 384.487 4.157 10 40 GICB O=c1c(-c2nc3ccccc3s2)coc2c(CN3CCCC3)c(O)ccc12 20228283 BFZGVEBKRNNBIQ-UHFFFAOYSA-N 378.453 4.371 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)NCc3ccc(C(=O)N(C)C)cc3)c2C)cc1 40049989 QAWUANRAOKDGET-UHFFFAOYSA-N 389.499 4.034 10 40 GICB O=C(Nc1cccc2c1CCCC2)N(Cc1ccccc1O)C[C@@H]1CCCO1 40150526 RCMCJVXNABBVLI-IBGZPJMESA-N 380.488 4.484 10 40 GICB OC1(c2ccccn2)[C@H]2CCC[C@H]1CN(Cc1ccc(N3CCCCC3)cc1)C2 100148900 OUMWRIBNMXTAOW-VXKWHMMOSA-N 391.559 4.192 10 40 GICB O=C1c2ccccc2-c2onc3c(N4CCNCC4)cc(Nc4ccccc4)c1c23 4819981 JGCAGBJTNJQXFC-UHFFFAOYSA-N 396.450 4.192 10 40 GICB COCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O 409130855 WRSMXFWISLMWHZ-BOPFTXTBSA-N 390.892 4.430 10 40 GICB CCN1C(=O)/C(=C\c2ccc(OC(F)F)cc2OC(F)F)SC1=S 5981363 VOBSKUVRGSNRKH-BJMVGYQFSA-N 381.372 4.111 10 40 GICB O=c1oc2c(CN3CCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1 4247242 ASPSPJHQTSHUPK-UHFFFAOYSA-N 375.428 4.028 10 40 GICB biogenic Cc1cc(C)cc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCC2)c1 13008233 BAVLVLLIEQUDBK-XMMPIXPASA-N 391.559 4.253 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OC)c3)SC2=S)cc1 4860736 JQENHOIEIUZNMN-GZTJUZNOSA-N 387.482 4.118 10 40 GICB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)Cc1ccc(N2CCCCC2)cc1 12564667 KVDLLELZIIMWHG-UHFFFAOYSA-N 396.579 4.347 10 40 GICB Cc1ccccc1COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 18063532 NSTJDALGTNIWBA-JCMHNJIXSA-N 384.435 4.035 10 40 GICB Cc1cccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(Cl)cc4)S3)CC2)c1 5705353 YPDLLAHKONUJJX-XMHGGMMESA-N 397.931 4.441 10 40 GICB COc1ccc(-n2cccc2/C=C2/C(=N)N3C(C)=CSC3=NC2=O)cc1Cl 49652925 LSBTWLHPGXXKMI-ZSCJGDHMSA-N 398.875 4.306 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409001346 PGQUVVRCIKBZQV-STZFKDTASA-N 390.483 4.247 10 40 GICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 408894591 RNHZHJKEJRKPAQ-RMENWYJGSA-N 392.411 4.029 10 40 GICB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)ccc1O 408974043 WJRZHLQBJIVZSJ-UVTDQMKNSA-N 376.334 4.139 10 40 GICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)S1 408976805 UADQKWYRRWNNKF-VGOFMYFVSA-N 381.240 4.360 10 40 GICB CCOC(=O)c1cccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1 225734338 VYOAGHPZCSPCCP-UHFFFAOYSA-N 399.560 4.375 10 40 GICB COCCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 4653913 PJDHMNIYGOIZMP-UYRXBGFRSA-N 399.537 4.422 10 40 GICB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)n1-c1ccccc1 2629305 WNRALGMZHRROSS-MRXNPFEDSA-N 388.467 4.229 10 40 GICB COc1ccc(C2(Nc3ccc(C(C)=O)cc3)C(=O)c3ccccc3C2=O)cc1 6902056 NOSKSHHOYCGFCQ-UHFFFAOYSA-N 385.419 4.284 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc(OC)c1O 9188467 YJPNNKLCNKGAMH-YBEGLDIGSA-N 387.482 4.124 10 40 GICB CCCCN(C)C(=O)[C@H]1Cc2ccccc2CN1Cc1cc(Cl)ccc1O 19809341 SOVKRGMGRQVHRJ-HXUWFJFHSA-N 386.923 4.231 10 40 GICB CN(C)c1ccc(CNc2ncc(Br)cc2Br)cc1 19899405 SZOZFUVAGXKUBG-UHFFFAOYSA-N 385.103 4.285 10 40 GICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(Cl)c1 408583648 JAHHFMBZCAAELQ-BOPFTXTBSA-N 398.802 4.125 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2cccc(OCc3cccc(Cl)c3)c2)S1 409024033 HOVCZABODUQEKV-YVLHZVERSA-N 386.860 4.025 10 40 GICB Cc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2O)cc(C)c1O 38181542 BNASFPKKKDQQJH-OQLLNIDSSA-N 386.860 4.334 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 409062405 UCWOJSQPQNMCNG-ZDLGFXPLSA-N 398.890 4.358 10 40 GICB COc1ccc(C(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 882964 QYWTZJSMNORGMR-UHFFFAOYSA-N 393.424 4.375 10 40 GICB COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CCOC(C)(C)C2)ccc1O 1321785 NQVUUYKCIYGUES-WZONZLPQSA-N 394.471 4.230 10 40 GICB biogenic COc1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2116938 ZSXGYSRRPOAJEL-UHFFFAOYSA-N 377.440 4.345 10 40 GICB biogenic CCn1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21 2422018 YWYCLEGKGGHFAJ-GZTJUZNOSA-N 393.443 4.472 10 40 GICB CCCn1c(O)nnc1S[C@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C 5971779 NMQSOKXXPISKHZ-OAHLLOKOSA-N 384.505 4.165 10 40 GICB CCOC(=O)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c(C)c1 225424958 VARHGURMERZPIR-UHFFFAOYSA-N 397.544 4.259 10 40 GICB CSCc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3F)c2C)o1 12539713 FQSBLESTSFRZBC-UHFFFAOYSA-N 391.493 4.454 10 40 GICB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(CN2CCCCC2)c1O 2286207 GGUPXZNQYOMNRH-UHFFFAOYSA-N 384.501 4.479 10 40 GICB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 35040292 DRXYUSWNRUMTBT-GZTJUZNOSA-N 383.494 4.496 10 40 GICB CC(C)c1ccc(NC(=S)NCc2ccc(N3CCN(C)CC3)cc2)cc1 225775679 NQUWVJQCQJWILY-UHFFFAOYSA-N 382.577 4.048 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 5372148 GRRVCHXZSICUOM-RGEXLXHISA-N 398.553 4.205 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1 103917814 UZOSVVGFIUSFAW-HKWRFOASSA-N 378.432 4.161 10 40 GICB Cc1cc(C(=O)[C@@H](C)SCCC(=O)O)c(C)n1-c1ccc(OC(F)F)cc1 12639484 OQSITDJZBQDSPE-CYBMUJFWSA-N 397.443 4.475 10 40 GICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Br)o1 21963548 GAVZYSSACUKIJU-UHFFFAOYSA-N 377.282 4.305 10 40 GICB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1C[C@H]1CCCO1 32593914 YZBPWSDFCIZKGR-ZXMBATIKSA-N 389.473 4.466 10 40 GICB O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)C[C@@H]12 6576789 YIGDWECLHXUZDQ-HSZRJFAPSA-N 394.474 4.004 10 40 GICB aggregator C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 5032428 OBYGXGVVUGCSCY-JNNKLVPLSA-N 393.873 4.274 10 40 GICB C[C@@H]1CN2c3ccccc3C(C)(C)[C@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O 1060068 YXVYMGORJIFWRG-YMXWFHOSSA-N 375.516 4.026 10 40 GICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(OC)c1 2648501 RKCNFLXBXFQVSO-UNOMPAQXSA-N 395.480 4.294 10 40 GICB CN1CCCc2cc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)ccc21 8993054 AJQKAJQJMNMIAA-WOJGMQOQSA-N 382.510 4.180 10 40 GICB CN(C)c1ccc([C@H](CNC(=O)C(C)(C)C)N2CCc3ccccc3C2)cc1 35349269 VNSLFONONWXYIM-QFIPXVFZSA-N 379.548 4.014 10 40 GICB CCN(CCCNC(=S)Nc1ccc(OC)c(OC)c1)c1ccc(C)cc1 225733254 SVNAKHRQDKCEHT-UHFFFAOYSA-N 387.549 4.215 10 40 GICB CCOC(=O)COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 408902154 KZIZTQCSGHXACX-SFQUDFHCSA-N 399.493 4.034 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)cc1 944330 BDIBVTWWRGIXQA-UHFFFAOYSA-N 376.485 4.420 10 40 GICB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 6830406 SMRYFAQFOZDABC-UHFFFAOYSA-N 392.455 4.207 10 40 GICB CCN(CC)c1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1 408999086 WHJXYMDVDOHAAP-PDGQHHTCSA-N 385.558 4.429 10 40 GICB CCc1cc(=O)oc2c(CN(CC)C[C@@H]3CCCN4CCCC[C@@H]34)c(O)ccc12 526052469 HMIVXETYJNJTAJ-RXVVDRJESA-N 398.547 4.147 10 40 GICB FC(F)(F)c1cccc(NC(=S)NCCCN2CCc3ccccc32)c1 225559238 OZMYGUQUJYDNNB-UHFFFAOYSA-N 379.451 4.445 10 40 GICB COc1ccccc1/C=C1/Sc2scc(-c3cccc([N+](=O)[O-])c3)[n+]2C1=O 1636021 QNNDGMQHGWTLRO-LICLKQGHSA-N 397.457 4.406 10 40 GICB COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(C(=O)O)c2)C1=O 5373582 KBBMTYYEWNXNSV-SXGWCWSVSA-N 385.466 4.108 10 40 GICB CCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 5516332 APKQJBOUZPCYIL-DODDZMEZSA-N 395.463 4.262 10 40 GICB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1cccc(Cl)c1 13069442 VHKVUFFAEFDIDE-UHFFFAOYSA-N 391.862 4.284 10 40 GICB C[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S 36092605 NAIXQXUELKFILC-PFMRQGHBSA-N 393.873 4.274 10 40 GICB O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(Cl)cc1 408535868 UGQKDBBVRIKTIY-SFQUDFHCSA-N 391.814 4.072 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cccc(OCc2ccccc2)c1 409017787 PNEBCLRHYUXLSJ-STZFKDTASA-N 391.467 4.347 10 40 GICB COc1cccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)c1 1789845 KJDCXYXTKHJNPI-MFOYZWKCSA-N 387.482 4.118 10 40 GICB CCOC(=O)c1c(C)oc2c1c(CN1C[C@@H](C)O[C@H](C)C1)c(O)c1ccccc12 23224598 VNYPUKLNLDKLDW-ZIAGYGMSSA-N 397.471 4.386 10 40 GICB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2-n2c(C)ccc2C)cc1 72216832 OWGIWSMPYKPLCP-NRFANRHFSA-N 395.528 4.323 10 40 GICB COc1ccccc1N/C=C1/C(=O)N(c2ccc(Br)cc2)N=C1C 101129603 UHRRVFPLEHMKQE-RVDMUPIBSA-N 386.249 4.176 10 40 GICB CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C 107633435 WVNMETFVIOJMNX-JCMHNJIXSA-N 399.494 4.426 10 40 GICB Cc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222737379 HFISNYHWOAROTA-LEWJYISDSA-N 376.529 4.400 10 40 GICB COc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222741592 JXVAIBMGYSPKLG-RTWAWAEBSA-N 392.528 4.100 10 40 GICB Cc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 16790753 NGAOFXYTRWJZJP-GDNBJRDFSA-N 388.901 4.195 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)C(C(=O)OC)=C2C)cc1 408770165 UFYGKROTTHTYOI-ZHZULCJRSA-N 377.440 4.271 10 40 GICB CCn1cc(/C=C2\C(=O)N(c3ccccc3OC)C(=O)N=C2O)c2ccccc21 33330341 SLRSTMMKBGVBJK-VBKFSLOCSA-N 389.411 4.177 10 40 GICB COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260732675 ACDMPTAJBJJZJQ-JKSUJKDBSA-N 384.549 4.374 10 40 GICB Cc1nc2ccc(F)cc2cc1C(=O)N[C@@H](C)c1ccc(N2CCOCC2)cc1 19718322 PASFMTDHHYRGFZ-HNNXBMFYSA-N 393.462 4.010 10 40 GICB Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1C 4602371 MDDARPUAORJHCN-PDGQHHTCSA-N 385.510 4.250 10 40 GICB C[C@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1ccc(N2CCCCC2)cc1 19716565 YOUNVJGXLJCDKN-KRWDZBQOSA-N 389.499 4.020 10 40 GICB CCc1ccc(/C=C2\SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 5373536 NHHZGNMLBWGCSG-SXGWCWSVSA-N 385.466 4.059 10 40 GICB Cc1cccc(N2C(=O)/C(=C\c3c(C)[nH]c4ccccc34)C(O)=NC2=S)c1 17179639 IKNFPCPNQKNXFT-BOPFTXTBSA-N 375.453 4.456 10 40 GICB COc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222741802 UORRXZDPNAUHOR-NHCUHLMSSA-N 392.528 4.100 10 40 GICB CCc1ccccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 7379233 JKMRHSHXEGTSMG-UHFFFAOYSA-N 376.456 4.452 10 40 GICB CN(C)c1ccc(-c2nc(-c3cc4c5c(c3)CC(=O)N5CCC4)cs2)cc1 8042140 FKYZFNBRVCPULR-UHFFFAOYSA-N 375.497 4.378 10 40 GICB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCC2)cc1 28336206 FBHASAVYHPIFLZ-UHFFFAOYSA-N 378.394 4.001 10 40 GICB COc1cccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)c1O 36740537 IZCATTLGRIMUBI-UHFFFAOYSA-N 383.536 4.107 10 40 GICB Cc1ccc(-n2cccc2/C=C2/C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 13546850 JAXJGGQTFYDBOJ-ZHZULCJRSA-N 399.450 4.069 10 40 GICB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1F 16805335 OJZSMSGONYBLAK-YVLHZVERSA-N 395.484 4.476 10 40 GICB Cc1ccccc1-n1c(C)cc(/C=c2\sc3nc4ccccc4n3c2=O)c1C 408903320 QRYFNMYSOLOUON-BKUYFWCQSA-N 385.492 4.173 10 40 GICB Cc1cccc(NC(=O)CCN2C(=O)/C(=C/c3cccs3)SC2=S)c1 1217423 ZMHDVSQEUQJBSL-PTNGSMBKSA-N 388.539 4.287 10 40 GICB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Br)cc1 1416329 QZMZVHSTKVMJDI-LCYFTJDESA-N 377.288 4.250 10 40 GICB Cc1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)OCCOc1ccccc1 5182469 UABGEYICQSPCFC-UHFFFAOYSA-N 395.455 4.278 10 40 GICB CC(=O)Nc1ccc(N/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1 101489698 HFZRKCKXUYLQHW-QGOAFFKASA-N 397.525 4.001 10 40 GICB CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1 2296529 HDYZCQXKVIPLLB-LECGRMGRSA-N 389.543 4.478 10 40 GICB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncc(-c2ccccc2)n1C 4130131 HEZMCOBNXJWBOA-UHFFFAOYSA-N 382.445 4.035 10 40 GICB Cc1cccc(OCCCOc2ccccc2/C=C2\SC(=S)NC2=O)c1 4677101 VBNCFLDSXAGXJT-AQTBWJFISA-N 385.510 4.332 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1 16789978 NMHWYXQIKLHGIM-BOPFTXTBSA-N 384.482 4.059 10 40 GICB CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 60360664 NQXDEENPCTZKSY-HXUWFJFHSA-N 395.547 4.171 10 40 GICB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(O[C@H](C)C(=O)O)cc3)S2)c1C 210836700 DPZZZNJODIIACT-JVVDOCDTSA-N 396.468 4.238 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Br)cc1 408995731 DLLUMFRIGKYVBQ-ATVHPVEESA-N 398.256 4.326 10 40 GICB Cc1ccsc1/C=C1/C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O 16363139 CTUINCMDGQEBGP-CLFYSBASSA-N 397.308 4.195 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(OC)cc1 408984525 IVCLKIOVALFHCZ-WQRHYEAKSA-N 383.831 4.226 10 40 GICB CCCCOC(=O)CN1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5371009 YJOTZKHFKUWTBY-YUTYINLDSA-N 375.515 4.177 10 40 GICB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@H]21 102907456 NFYACXHBDUDVSM-XXBNENTESA-N 387.439 4.347 10 40 GICB Cc1c(/C=C2\SC(Nc3cccc(C(=O)O)c3)=NC2=O)c2ccccc2n1C 979061 YKDKUEYPRKOCJT-WQRHYEAKSA-N 391.452 4.267 10 40 GICB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccc(Cl)cc1 5478048 ZHFRUUBEFOMWQY-NQDFZQDQSA-N 390.873 4.035 10 40 GICB COc1ccccc1C(=O)N1c2cc(CN(C)C)c(O)cc2[C@H](C)CC1(C)C 70666541 MSDOWGCJYXQEGG-OAHLLOKOSA-N 382.504 4.395 10 40 GICB biogenic Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)N=C2O)cc1Cl 8997692 VOMXDUKVZLWMPV-CXUHLZMHSA-N 393.830 4.011 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1-c1ccc(OC)cc1 222809487 WASLMISPPKOBFP-NHCUHLMSSA-N 392.528 4.182 10 40 GICB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)C1=O 5947722 NOKBXBMIMGUFFS-XNTDXEJSSA-N 385.851 4.378 10 40 GICB COc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 227486713 NFYACXHBDUDVSM-CVDCTZTESA-N 387.439 4.347 10 40 GICB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C/c2ccco2)SC1=S 1255661 LECKYRVZFSVFKI-VBKFSLOCSA-N 386.498 4.208 10 40 GICB O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccc(Cl)cc1 4145379 WVCOGLKEXBVACT-PDGQHHTCSA-N 399.853 4.172 10 40 GICB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 7496841 HZDIFSYQDQLKTO-KRWDZBQOSA-N 398.503 4.063 10 40 GICB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 40945640 LSQLRLNLFOSQAJ-UHFFFAOYSA-N 395.849 4.173 10 40 GICB CCOc1c(/N=N/c2ccc(OC)cc2)c(-c2ccccc2)nn1C(N)=S 104230988 XXXBZPQJKIZZQL-QURGRASLSA-N 381.461 4.465 10 40 GICB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2Cl)C1=O 408999438 LAFAEWCGGKGKBI-JXMROGBWSA-N 381.240 4.030 10 40 GICB Cc1ccc(CN2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1 16292321 MCORWDYXGNLIEX-SXGWCWSVSA-N 386.454 4.010 10 40 GICB CCOc1ccc(N/C=C2/C(=O)N(c3cc(C)cc(C)c3)C(=O)N=C2O)cc1 103098895 LCSYFOZCNXRSGP-LDADJPATSA-N 379.416 4.121 10 40 GICB CC(=O)Nc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 212056084 WXNQBTCMKPRXIY-PDGQHHTCSA-N 397.525 4.117 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(C(=O)OC)=C1C 4688428 DJXUXSFOOIZLSW-UNOMPAQXSA-N 398.890 4.440 10 40 GICB COc1ccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)cc1 5393890 FUZZKKBLOKQBCD-UHFFFAOYSA-N 386.495 4.176 10 40 GICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@H]21 6954782 WNDDRILSVNSXPO-JMERFSKESA-N 382.416 4.447 10 40 GICB Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)Cc1ccco1 9409408 FGXMIFOUUHSZLG-UHFFFAOYSA-N 378.472 4.262 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)c1 16932759 SNRSKHLZMLQBMK-MFOYZWKCSA-N 395.461 4.109 10 40 GICB Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)S2)c1 96663265 WLCVBAHHLYKYAG-GZTJUZNOSA-N 382.445 4.052 10 40 GICB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)c1 106708867 QYWUNDKOTAGUJS-ZHZULCJRSA-N 394.496 4.068 10 40 GICB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCO2)CO3 2122367 MTEFDRZILNIDFR-UHFFFAOYSA-N 379.412 4.139 10 40 GICB biogenic O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1C[C@@H]1CCCO1 14153013 DJRCYTZVPLLSMA-INIZCTEOSA-N 378.266 4.114 10 40 GICB COC(=O)c1cc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)N=C2C)ccc1Cl 101112819 AXYJJTWNZMMXTO-WOJGMQOQSA-N 397.862 4.462 10 40 GICB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1cc(Cl)c(O)c(Cl)c1 409125757 KGLBVPTVPIYYHG-JYRVWZFOSA-N 393.251 4.099 10 40 GICB COc1cc(N2CCCCC2)ccc1/C=C1/C(=O)N(c2ccccc2)N=C1C 409235641 CRAPJPGVTGLLSW-RCCKNPSSSA-N 375.472 4.492 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/[C@H]3CC=CCC3)SC2=S)cc1OC 1450827 WABBBGADLAEADC-RVAQLADHSA-N 389.542 4.347 10 40 GICB CCc1ccccc1NC(=O)CCN1C(=O)/C(=C\c2ccco2)SC1=S 4745487 TZOPWCKRAURFKS-FOWTUZBSSA-N 386.498 4.072 10 40 GICB Cc1noc2nc(C3CC3)cc(C(=O)N3CC=C(c4ccc(N(C)C)cc4)C3)c12 95456525 NXHKVVKNIPHSIP-UHFFFAOYSA-N 388.471 4.014 10 40 GICB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 408708811 TUSRPCXFHMHMEY-LJQANCHMSA-N 387.483 4.394 10 40 GICB Cc1ccc(/C=C2/SC(=S)N(CCC(=O)NC3CCCCC3)C2=O)cc1 1181037 BYYYTDZKJYHIKC-GHRIWEEISA-N 388.558 4.035 10 40 GICB O=C1[C@H](Cc2ccc(Br)cc2)SC(=S)N1c1ccccc1 3346348 CLERKMUOMSJPOV-AWEZNQCLSA-N 378.316 4.425 10 40 GICB CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=O)N(CC(=O)O)C2=O)c1C 408961647 UJELGMLVAGLFLQ-YVLHZVERSA-N 398.484 4.086 10 40 GICB COc1ccc2c(c1)N(C)/C(=C1/SC(=S)N(c3ccccc3)C1=O)S2 100497567 VXOJAIVHTRFBRK-ICFOKQHNSA-N 386.523 4.471 10 40 GICB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1 882772 GYQNAWQXJLQUAF-UHFFFAOYSA-N 392.440 4.431 10 40 GICB aggregator CCCCc1ccc(N2C=C(C(=O)OC)S(=O)(=O)c3ccc(F)cc32)cc1 64979289 CASCLHFAYKJFBX-UHFFFAOYSA-N 389.448 4.108 10 40 GICB Oc1ccc(C2=Nn3c(nnc3-c3ccc(Cl)cc3Cl)SC2)cc1O 4598318 KCDUBYRLOMJRPL-UHFFFAOYSA-N 393.255 4.021 10 40 GICB O=C1NC(=S)N/C1=C/c1cc(/N=N/c2ccc(Cl)cc2Cl)ccc1O 408728031 ZHLLJJBFDACOMA-ZCPICQCUSA-N 393.255 4.460 10 40 GICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 408896335 XZODTFIJQXXBLE-HKWRFOASSA-N 393.508 4.324 10 40 GICB CCCOC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 4159491 AFVIKEVOWGODHM-PEZBUJJGSA-N 377.531 4.401 10 40 GICB CN(C)c1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 7209121 UBEWLIWBXCRECY-LFIBNONCSA-N 385.470 4.067 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1235895 STEDCFYADRODMY-ZROIWOOFSA-N 375.858 4.444 10 40 GICB Cc1cccc(Nc2nnc(SCC(=O)c3ccc(O)c(O)c3)s2)c1C 6650349 YWSJZBOZPGUSEM-UHFFFAOYSA-N 387.486 4.285 10 40 GICB O=C(O)c1cccc(-c2ccc(/C=C3\NC(=S)N(C4CCCCC4)C3=O)o2)c1 409079811 MCYGAUIIZYRMMC-ATVHPVEESA-N 396.468 4.035 10 40 GICB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccccc3C)CC2)cc1 225286793 ZVYMMWDLDHLXEU-UHFFFAOYSA-N 393.575 4.370 10 40 GICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccccc1Cl 5026101 LSVCJHMZHZXGMD-JXAWBTAJSA-N 383.904 4.133 10 40 GICB COc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1OC 13784960 UOGYHNZZJKFFMJ-AQTBWJFISA-N 385.510 4.148 10 40 GICB Cc1ccc(-n2c(C)cc(/C=C3\C(=O)N(C)C(=S)N=C3O)c2C)cc1Cl 33457931 HBFXMPRLBIFIPW-NVNXTCNLSA-N 387.892 4.153 10 40 GICB O=C1/C(=C/c2ccc3nccnc3c2)SC(=S)N1CCc1ccccc1 54361149 OUHPCRKDHHLZGG-AQTBWJFISA-N 377.494 4.074 10 40 GICB CCOc1ccccc1/C=C1\C(=O)N(Cc2ccc(C)cc2)C(C)=C1C(=O)OC 59959357 UKHHDXDTCAXMBE-ZHZULCJRSA-N 391.467 4.267 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=O)COc3cccc4c3CCCC4)cc2)C1 223209961 AGWPOGZBAOPGMQ-LJQANCHMSA-N 392.543 4.497 10 40 GICB CCN(CC)c1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 1875976 RCHMXZLEDSTEFJ-QDEBQFNMSA-N 375.516 4.170 10 40 GICB CC(C)c1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)N=C2O)cc1 16575746 LYQCJVDHVNUVTM-BOPFTXTBSA-N 379.372 4.225 10 40 GICB O=C(O)C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc2ccccc2s1 28495890 FGJZAKVSZIQGCF-SSZFMOIBSA-N 380.469 4.148 10 40 GICB O=C1N=C(O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccc(Cl)cc1 33319631 AAJVGLWXPVNUSH-PVZSTHCMSA-N 397.774 4.311 10 40 GICB COc1cccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)c1O 36740500 XSUZIGIQBVYVCT-UHFFFAOYSA-N 383.536 4.107 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)ccc1OC(C)=O 409335888 ZKTQJWBCKNWDGY-WOJGMQOQSA-N 399.493 4.335 10 40 GICB COc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 6721756 JFJJWMWSKHJBSG-AUSIDOKSSA-N 387.439 4.347 10 40 GICB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 871770 MBTPSYGHODMTSU-UEXGIBASSA-N 377.440 4.476 10 40 GICB CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H]2CCC[C@H](C)C2)cc1 3879088 XDVZBBHKOJWUPB-PAXLWEDBSA-N 399.535 4.283 10 40 GICB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1C(=O)c1ccc(Cl)cc1 6221054 RSFPOIJAPGMMEJ-NTEUORMPSA-N 375.858 4.087 10 40 GICB Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccccc1Cl 409193651 KHNKIANODLCUKA-WOJGMQOQSA-N 379.847 4.174 10 40 GICB CCOc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O 409240366 GWCAQYSFBVKYLL-QGOAFFKASA-N 394.496 4.040 10 40 GICB CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1O 3634687 BOSNXIVSWMAEFC-UHFFFAOYSA-N 379.412 4.044 10 40 GICB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(C)cc1 409367246 NNPDBJACWSOSPJ-NDENLUEZSA-N 375.424 4.075 10 40 GICB CCCCC1=NN2C(=N)/C(=C/c3ccc(N(CC)CC)cc3)C(=O)N=C2S1 41082910 LDCMKDUOAUGPEU-IGLFKNPDSA-N 383.521 4.342 10 40 GICB CC1(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(O)c(CN5CCCCC5)c4)OCC[C@@]3(C2)[C@@H]1O 257309307 UAJZCKLEQYPGJT-JQILPUHPSA-N 385.548 4.253 10 40 GICB CCN1C(=O)/C(=C/c2cc3ccccc3nc2N2CCCCC2)SC1=S 24007515 ZKLBLHRFSBYJDY-LGMDPLHJSA-N 383.542 4.446 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)Nc3cc(OC)ccc3OC)c2C)cc1 22006547 DRBMAWFXRKKQHI-UHFFFAOYSA-N 380.444 4.372 10 40 GICB Cn1cccc1/C=C1/C(=O)N(c2ccc(Cl)c(Cl)c2)C(=S)N=C1O 59182417 NGUNQARZYRSBJN-YRNVUSSQSA-N 380.256 4.004 10 40 GICB CCOc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccc(Cl)cc2)C1=O 13548899 XLKIBDYTLORBMH-UYRXBGFRSA-N 392.842 4.353 10 40 GICB COc1cc(N2N=C(C)/C(=C/Nc3cc(Cl)ccc3O)C2=O)ccc1Cl 408530773 JOELHCGBNDBMEQ-LCYFTJDESA-N 392.242 4.426 10 40 GICB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1cccc(O)c1 33626753 PFMJSZPHFYBEGD-ZHZULCJRSA-N 385.419 4.423 10 40 GICB COC(=O)c1ccc(/C=C2\SC(=S)N(CNc3ccccc3C)C2=O)cc1 1051976 FJIYHJAIRPFUEM-BOPFTXTBSA-N 398.509 4.052 10 40 GICB COc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 57690631 GSBIRGWAJWLMJK-UHFFFAOYSA-N 380.878 4.273 10 40 GICB CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)Cc3ccccc3)C2=O)cc1 35040216 FTIJAHZKZAFKQS-LDADJPATSA-N 396.537 4.285 10 40 GICB Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@H]2CCCN3CCCC[C@H]23)cc1 504208033 JYORXJOTXPFKMG-DHIUTWEWSA-N 379.548 4.148 10 40 GICB biogenic O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 409194800 MPJJKPOETOZGLT-WJDWOHSUSA-N 384.819 4.004 10 40 GICB COc1ccc(CNC2(c3ccccc3F)CCCC2)cc1CN1CCOCC1 12292853 WEZQBAXDRHSCDW-UHFFFAOYSA-N 398.522 4.226 10 40 GICB O=C(O)CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S 2302633 MOQGNPLRXWWHSS-FOWTUZBSSA-N 385.466 4.155 10 40 GICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C(C)C 408963118 ACEJOQWMXBPLBC-LICLKQGHSA-N 385.851 4.006 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)C(C(=O)OC)=C1C 409020226 MUVUMWQNHYVHHT-MOSHPQCFSA-N 392.499 4.403 10 40 GICB C[C@@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 223696485 MRWHATIHDUCHTM-OAHLLOKOSA-N 378.925 4.055 10 40 GICB CC1=CC(C)(C)N(C)c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)cc21 260755800 BUGVBFJXGQUCNI-PMACEKPBSA-N 378.545 4.316 10 40 GICB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214189 ULNFPWOHXAXYSC-NRFANRHFSA-N 377.488 4.138 10 40 GICB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)OCCO2)C3 2120250 HDVDYXFFRJSSBO-UHFFFAOYSA-N 393.439 4.263 10 40 GICB biogenic CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 4590949 GQDIFUFXGLKIFO-YVLHZVERSA-N 386.860 4.025 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccccc2Cl)C1)CCC3 12409378 CKAGISIBZGIXBT-INIZCTEOSA-N 394.858 4.388 10 40 GICB Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccnc(-n3ccnc3C)c2)c1C 58382456 KULPMODNEHNLAC-UHFFFAOYSA-N 399.498 4.222 10 40 GICB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1cccnc1 112123012 MOQSUACJZQSYAN-RGEXLXHISA-N 391.500 4.258 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=O)COc3cccc4c3CCCC4)cc2)C1 223210017 AGWPOGZBAOPGMQ-IBGZPJMESA-N 392.543 4.497 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)C(C(=O)OC)=C2C)cc1 408891678 BAFZSFBZZQJTPY-UYRXBGFRSA-N 381.403 4.102 10 40 GICB Cc1ccc(-c2cnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1 1355626 BVMKOBOMBVTUNS-UHFFFAOYSA-N 377.513 4.467 10 40 GICB COc1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c([N+](=O)[O-])cc1OC 13546705 HWBLCKFDDBNRBD-QPEQYQDCSA-N 387.775 4.247 10 40 GICB COc1cccc(N2C(=O)/C(=C\c3ccc4nccnc4c3)SC2=S)c1 13688876 PYELTXDFDOVWTE-LICLKQGHSA-N 379.466 4.044 10 40 GICB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 222863814 POVMMFLIVMYNAZ-SFTDATJTSA-N 391.544 4.267 10 40 GICB C[C@@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(N2CCN(C)CC2)cc1 55711032 UIFDYRLXVVGGGE-QGZVFWFLSA-N 397.950 4.001 10 40 GICB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1CN(C)C[C@H]1CCCN2CCCC[C@H]12 1565520167 NOTPYNFNJCRKTB-UYAOXDASSA-N 398.547 4.120 10 40 GICB biogenic CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(O)c(O)c2)cc1 7884041 SNUIJDNHIFWDJL-OAQYLSRUSA-N 376.412 4.268 10 40 GICB CC(=O)Nc1cccc(N/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 9423778 KAMXQDVQLAGQEX-QGOAFFKASA-N 397.525 4.001 10 40 GICB O=C(COc1ccccc1Cl)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O 9449254 OOEBFFAWLQYCLI-UHFFFAOYSA-N 391.810 4.133 10 40 GICB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1 16712730 UCMMZCUQCCIRNO-DESBJYGPSA-N 380.494 4.083 10 40 GICB COc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222741996 UORRXZDPNAUHOR-SFTDATJTSA-N 392.528 4.100 10 40 GICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1cccc(F)c1 409385180 GKZMAPHLZZQGMK-WQRHYEAKSA-N 383.444 4.425 10 40 GICB COc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(O)cc2)cc1 1092287 XPXITSUZNGBBBW-KGENOOAVSA-N 388.398 4.374 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 4151433 WTGRLGCHWTUYKT-FCEWJHQRSA-N 380.400 4.217 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)cc(Cl)c1 10906980 ASJVMOPEVKMIKQ-UHFFFAOYSA-N 379.287 4.102 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1OC 14414990 XLEXSENEKBUIAQ-SILNSSARSA-N 391.467 4.001 10 40 GICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1cccc(Cl)c1 59435780 JQWMHPGVNZQZDF-UNOMPAQXSA-N 397.858 4.221 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 225690325 UULAAXVUOBGDOM-HNNXBMFYSA-N 383.517 4.138 10 40 GICB CCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1 408991563 QJXAGGGVWKHXFE-HXUWFJFHSA-N 394.544 4.419 10 40 GICB CCOc1ccccc1/C=C1\C(=O)N(CCc2ccccc2)C(C)=C1C(=O)OC 59435678 UKGPPWOXRJMGAX-SILNSSARSA-N 391.467 4.001 10 40 GICB O=C1/C(=C/c2ccncc2)SC(=S)N1c1ccccc1Br 5375855 DGTPGHBPADRYGQ-LCYFTJDESA-N 377.288 4.250 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C(C(=O)OC)=C1C 6711337 FWWPLLNPTMANGW-MOSHPQCFSA-N 378.472 4.095 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccccc3OC(C)C)C2=O)cc1Cl 408809875 SKYGPVHSUHAPAK-MHWRWJLKSA-N 398.846 4.102 10 40 GICB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 224944232 QPIJLESVZYGQRM-SFHVURJKSA-N 378.516 4.249 10 40 GICB O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 2065591 QIALHVLBZCAFDN-SFQUDFHCSA-N 398.846 4.395 10 40 GICB O=C1/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC(=S)N1C1CC1 1246063 LFAGIKOILPTKFU-ATVHPVEESA-N 387.464 4.464 10 40 GICB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc2c(c1)OCO2 7125143 JDDAYKGDCJQRPD-UHFFFAOYSA-N 381.457 4.030 10 40 GICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C\c2ccccc2)cc1 13619091 DBWCTMXAFPCPGF-QNGOZBTKSA-N 399.406 4.438 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=O)COc3ccc4c(c3)CCCC4)cc2)C1 225373862 UCXFOZQIFUZBJE-LJQANCHMSA-N 392.543 4.497 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C(C)(C)C)c3C)C2=O)c1 408967960 YGWSDOFMBOJOKM-XDHOZWIPSA-N 393.487 4.143 10 40 GICB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1CN(C)C[C@@H]1CCCN2CCCC[C@@H]12 1565520164 NOTPYNFNJCRKTB-ICSRJNTNSA-N 398.547 4.120 10 40 GICB biogenic COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1 4551728 ABGLUVHOCIZBCZ-YVLHZVERSA-N 383.831 4.231 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3ccc(OC)cc3OC)C2=O)c1 35038932 NMIHPMXUCFPPSJ-LICLKQGHSA-N 387.482 4.118 10 40 GICB CCOC(=O)c1cc(/N=N/c2ccc([N+](=O)[O-])cc2)c(N2CCOCC2)s1 16687752 ZTMRYVUEWFIZIT-VHEBQXMUSA-N 390.421 4.085 10 40 GICB Cc1c2c(cc3c1oc(=O)c1ccccc13)CN(c1ccc3c(c1)OCO3)CO2 2123191 WBMSJNANRZXXSP-UHFFFAOYSA-N 387.391 4.340 10 40 GICB biogenic Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 408718928 BOMACQYNZNNSTB-SFQUDFHCSA-N 382.510 4.103 10 40 GICB CC(=O)Oc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 409341805 BWVSVXNVTXTRKY-LDADJPATSA-N 398.509 4.084 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)Nc3cccs3)N3CCCC3)ccc21 36705360 HSTIWLOGMNLBDJ-IBGZPJMESA-N 384.549 4.089 10 40 GICB c1csc([C@@H](Cc2ccsc2)NCc2ccc(N3CCOCC3)cc2)n1 19334674 VYZFCJUKFOEIQV-LJQANCHMSA-N 385.558 4.115 10 40 GICB CCCOc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccccc3)C2=O)cc1 6265013 JSUZBSQYGXINCG-LGMDPLHJSA-N 398.509 4.022 10 40 GICB CN1C(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S 4678960 QRLQRDGDQZCYTB-MHWRWJLKSA-N 386.454 4.005 10 40 GICB CCOc1c(/N=N/c2ccccc2OC)c(-c2ccccc2)nn1C(N)=S 17140002 AEAKZXMEWPYCGH-QURGRASLSA-N 381.461 4.465 10 40 GICB COc1ccc2c(c1)c(/C=C1\SC(=S)N(Cc3ccco3)C1=O)c(C)n2C 54360815 KHHLIRLWGTUOAK-ZDLGFXPLSA-N 398.509 4.490 10 40 GICB O=C(Nc1cccc(N2CCOCC2)c1)c1ccc(C2SCCS2)cc1 95365214 LWWUGVQNRPGEOC-UHFFFAOYSA-N 386.542 4.254 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ncccc1C 112120089 JTTZWRMUAAQJFV-JXAWBTAJSA-N 379.420 4.187 10 40 GICB Cc1ccccc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 7988916 RKXHSFKAHXRTSE-NRFANRHFSA-N 398.572 4.361 10 40 GICB CCn1cc(/C=C2\C(=O)N(C3CCCCC3)C(=S)N=C2O)c2ccccc21 33887296 RENAHQJEPWBXKA-ATVHPVEESA-N 381.501 4.461 10 40 GICB COc1ccccc1-n1c(C)cc(C(=O)Nc2ccc(NC(C)=O)cc2)c1C 95472737 SZXNTFCYJTXDJF-UHFFFAOYSA-N 377.444 4.313 10 40 GICB CCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)C(=O)N=C1S 2593474 AEEMGKRZJKZPGD-CPNJWEJPSA-N 395.528 4.241 10 40 GICB CCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc2c1CCCC2 2084466 SZCVCLMCEZOIJB-QWHCGFSZSA-N 393.505 4.023 10 40 GICB CC1(C)CC(NCc2c(O)ccc3c2oc(=O)c2ccccc23)CC(C)(C)N1 6760055 LVSBOJMUTBPKCA-UHFFFAOYSA-N 380.488 4.051 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)c1 54361190 FJNBXRNCWJSSGP-ZDLGFXPLSA-N 391.477 4.238 10 40 GICB Cc1cc(C(=O)N2CCN(c3ncccc3Cl)CC2)c(C)n1-c1ccccc1 58284684 GIVUHMHNUHNXDI-UHFFFAOYSA-N 394.906 4.105 10 40 GICB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(O)=NC2=S)c1C 59138551 GAMDQZPPENGJFT-FOWTUZBSSA-N 395.484 4.168 10 40 GICB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(-n3c(C)ccc3C)nc2)cc1 72216771 XNIVFQNBJRYMTJ-OAQYLSRUSA-N 395.528 4.323 10 40 GICB CC1CCN(c2ccc([C@@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 218159925 IBODOFXSLUNHSA-QGZVFWFLSA-N 381.476 4.251 10 40 GICB COC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)c1 27644782 TYOWEIPLPUPQIN-FQEVSTJZSA-N 385.423 4.324 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O 35040769 YWQKRJAUHYMWCO-LICLKQGHSA-N 385.466 4.009 10 40 GICB Cc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)cc1 35624306 ZUPQHVGHXZCCRM-PCJMVEANSA-N 383.494 4.412 10 40 GICB COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260737644 MTHOQZGBCIXBPK-INIZCTEOSA-N 397.544 4.196 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3O)SC2=S)cc1 5953626 CXAMVPAFMRMIHJ-WJDWOHSUSA-N 387.482 4.205 10 40 GICB O=S(=O)(Nc1ccc(O)c2ccccc12)c1ccc(Br)cc1 3292397 CLIIWUAFPDJNKR-UHFFFAOYSA-N 378.247 4.109 10 40 GICB Cc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 3357693 KAASGJRCNRSRFI-UHFFFAOYSA-N 380.419 4.337 10 40 GICB COc1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1OC 13770741 WCHUOQLZLLEQSH-WJDWOHSUSA-N 393.530 4.246 10 40 GICB COc1ccc(Br)cc1/C=C1\SC(N2CCCCCC2)=NC1=O 13898349 YAUOTEBJFFZFOO-PTNGSMBKSA-N 395.322 4.304 10 40 GICB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCc1ccc(N(C)C)cc1 40119774 CJLQFWCHUWWFGD-UHFFFAOYSA-N 396.922 4.067 10 40 GICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Br)cn1 101141309 XMBAEISXLNWFDL-NTEUORMPSA-N 391.656 4.216 10 40 GICB CCN(CC)c1ccc(CNC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 224202231 LAMWKKSSVBOSEM-NRFANRHFSA-N 397.538 4.200 10 40 GICB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@@H]21 227486613 BBPGRYHTHQBEIY-CVDCTZTESA-N 387.439 4.428 10 40 GICB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)C=[N+]=[N-])[C@@]4(C)CC[C@H]32)C1 4104882 VZJASVVRXMLTSG-DRNGZOKYSA-N 384.520 4.367 10 40 GICB biogenic,in-vitro COc1ccc(CN2C(=O)/C(=C/c3ccc4c(c3)C[C@@H](C)O4)SC2=S)cc1 2225201 JQKQNEODIJTSSE-LPXFMOJISA-N 397.521 4.420 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 16739414 SENDSESJYCBKBX-HYZSBJHASA-N 394.521 4.391 10 40 GICB CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 1416690 KSAGQGFCAIBLBV-QGOAFFKASA-N 383.542 4.224 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc4ncccc4c3)SC2=S)c1 9419435 FMXSYZLCURVCPP-LICLKQGHSA-N 392.461 4.339 10 40 GICB Cc1cccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222737247 HFISNYHWOAROTA-NHCUHLMSSA-N 376.529 4.400 10 40 GICB COC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225695002 ADKCYOUFXPSMCH-INIZCTEOSA-N 397.544 4.429 10 40 GICB Oc1cc2[nH]c3ccccc3c2cc1CN1CCN(Cc2cccs2)CC1 22788007 GNHRNTISRPUZQY-UHFFFAOYSA-N 377.513 4.406 10 40 GICB Cc1cccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)c1 44169801 OJFJSYDQMGHLDA-UHFFFAOYSA-N 396.512 4.020 10 40 GICB Cc1cccc(COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)c1 18063534 KLIKCLJSLJIRCN-JCMHNJIXSA-N 384.435 4.035 10 40 GICB CCc1ccc(-c2ccc(/C=C3/SC(=S)N(CCC(=O)O)C3=O)o2)cc1 5032705 AZJPAUWKAATDQV-LFIBNONCSA-N 387.482 4.185 10 40 GICB COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 871783 TUVWSTBUSUXFDH-BIENJYKASA-N 380.400 4.217 10 40 GICB Nc1c(C(=O)c2cccc3ccccc23)ccc2c1C(=O)c1ccccc1C2=O 4644914 GZXLSMOPTLKQSL-UHFFFAOYSA-N 377.399 4.428 10 40 GICB CC(=O)c1ccc(N2CCN(Cc3c(O)ccc4ccccc34)CC2)c(F)c1 12543908 GOAUYVHGMGWNQI-UHFFFAOYSA-N 378.447 4.209 10 40 GICB CN1CCc2cc([C@@H](CNC(=O)c3ccccc3Cl)N3CCCCC3)ccc21 13007762 QTVMSGQIXVNSPY-JOCHJYFZSA-N 397.950 4.289 10 40 GICB Cc1cccc(C2(C(=O)NCc3ccc(N4CCCCC4)cc3)CCOCC2)c1 19662266 LVBRJRMCADFDQM-UHFFFAOYSA-N 392.543 4.350 10 40 GICB COc1ccccc1-n1c(C)cc(C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)c1C 79188873 WWWPMXSHPMVFQG-PZJWPPBQSA-N 395.547 4.097 10 40 GICB biogenic Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cccc3ccccc23)C1=O 408876754 NGYVQVGICUTHJJ-SFQUDFHCSA-N 390.826 4.468 10 40 GICB O=C(O)CN1C(=O)/C(=C\c2ccc(-c3cccc4ccccc34)o2)SC1=S 3066368 GTYMCKKFGDWJHK-LICLKQGHSA-N 395.461 4.386 10 40 GICB Cc1cc(C=C2C(=O)OC(C)(C)OC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 3193594 DJVCRWWANMEBET-UHFFFAOYSA-N 393.361 4.332 10 40 GICB Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccccc1 3319224 LFYRSMRCMCTIGM-UHFFFAOYSA-N 384.382 4.168 10 40 GICB COC(=O)c1ccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 4151432 WTGRLGCHWTUYKT-FRQCXROJSA-N 380.400 4.217 10 40 GICB Cc1ccc(C(=O)O)cc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 5372160 IMLCYGLVWHRUQW-YVLHZVERSA-N 398.509 4.165 10 40 GICB CCOc1ccccc1NC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1 22418415 YQHPFPBNDFESQF-OAQYLSRUSA-N 396.535 4.110 10 40 GICB CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OC(C)C)C2=O)cc1 27563064 UNZOARWYGWUSPL-WJDWOHSUSA-N 393.530 4.018 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc2c(c1)OCO2 103918119 KOFHWGCISWHEHB-STZFKDTASA-N 395.434 4.121 10 40 GICB C#CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)cc1OCC 107715494 KZALZGSUSHCZQZ-XSFVSMFZSA-N 392.480 4.488 10 40 GICB C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCC2)cc1 225695185 NSKBBJNHDIEJNO-HNNXBMFYSA-N 383.517 4.106 10 40 GICB O=C1N(Cc2ccccc2F)c2ccccc2[C@]12NN=C(c1ccccc1)S2 2052483 BABKOFUBFRDSHB-JOCHJYFZSA-N 389.455 4.224 10 40 GICB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\C=C/c2ccccc2)SC1=S 6495808 KYPFHZXHBBGHQE-YFVSNAIYSA-N 381.478 4.270 10 40 GICB CC(=O)Nc1ccc(N/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 8993261 HFZRKCKXUYLQHW-AQTBWJFISA-N 397.525 4.001 10 40 GICB CN1CCCc2cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)ccc21 54360771 XOYXLZXUECBZPX-PDGQHHTCSA-N 382.510 4.180 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)cc1 58391936 ZMLJJVLQERPAAR-RGEXLXHISA-N 396.537 4.237 10 40 GICB COc1ccc2[nH]cc(CCN/C(C)=C3\C(=O)N(c4ccccc4)N=C3C)c2c1 100422972 DOLDJUJIZJMIIS-JCMHNJIXSA-N 388.471 4.005 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(F)cc1 103917514 DOQCSQKPMPGAEI-JWGURIENSA-N 395.478 4.443 10 40 GICB CCCCCC1=NN2C(=N)/C(=C\c3ccc(Br)o3)C(=O)N=C2S1 4545598 OGMDANAAFSSIKH-RNQVEVKNSA-N 395.282 4.242 10 40 GICB Cc1cc(-c2csc(CC(N)=O)n2)c(C)n1-c1cccc(Br)c1 12522475 XRSDHYHKJPKKCQ-UHFFFAOYSA-N 390.306 4.008 10 40 GICB O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1Cl 14011385 QQGGVFYNPGQFKE-ZHZULCJRSA-N 395.890 4.423 10 40 GICB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NC3CCCC3)C2=O)cc1 17076800 ZMJWHEBCKUHNRH-PGMHBOJBSA-N 375.472 4.252 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3cccn3C(C)(C)C)C(O)=NC2=S)cc1 33313295 JRJQHYNMXBLGGZ-LGMDPLHJSA-N 397.500 4.313 10 40 GICB Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)cc2)cc1 225795130 PFWCTUFVIAFUMS-UHFFFAOYSA-N 378.339 4.180 10 40 GICB CC(C)[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 4745788 XNEFXZSXXIATMM-WJLHWTDCSA-N 381.906 4.120 10 40 GICB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112122337 RQUMRWHSVCLWOO-YVLHZVERSA-N 388.786 4.496 10 40 GICB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccnc2)c2ccccc21 96669510 KBYVELMOCPAZTM-KGENOOAVSA-N 378.435 4.451 10 40 GICB C/C(NC1CCCC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 4679125 OBABZGLZGDFZAP-GXDHUFHOSA-N 394.422 4.367 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/c3cccc(OC)c3)SC2=S)cc1 5371299 BHJMCELMGQJXTQ-AQTBWJFISA-N 385.510 4.148 10 40 GICB CC[C@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374334 ZGBJEPYGRLQJMX-HIAXIYLWSA-N 387.885 4.180 10 40 GICB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1cccnc1 17078031 LXLOQKVDKBXGLQ-UHFFFAOYSA-N 381.888 4.453 10 40 GICB Nc1nc(Cl)c(/N=N/c2ccc(Cl)cc2)c(N[C@@H]2C=C[C@H](CO)C2)n1 34306885 KZQMZONKDSNMSL-NTADDMPPSA-N 379.251 4.130 10 40 GICB in-vitro Cc1ccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)c(C)c1 38171002 XSSGAJFTPPDDDZ-MHWRWJLKSA-N 380.469 4.297 10 40 GICB CCN(CC)C(=O)CCCN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=S 5010040 FCZUJMMLDOESKW-DTQAZKPQSA-N 392.546 4.181 10 40 GICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 5035147 CJRCCKZZVXPQES-RGEXLXHISA-N 386.407 4.175 10 40 GICB O=C1/C(=C/c2ccc(Cl)cc2)SC(=S)N1Cc1ccc2c(c1)OCO2 13711984 FXCCBPZQJGULIU-PXNMLYILSA-N 389.885 4.470 10 40 GICB COc1ccccc1-c1noc(CN(C)Cc2ccc(N3CCCCC3)cc2)n1 15571609 BRTPSYWZWYFDAU-UHFFFAOYSA-N 392.503 4.368 10 40 GICB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2c(O)ccc3ccccc23)CC1 27504681 VRUMXTRPGUESNH-UHFFFAOYSA-N 397.862 4.429 10 40 GICB Cc1cccc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)o3)C2=O)c1 59138020 WBLJDSHCQSBJAN-GHRIWEEISA-N 379.416 4.085 10 40 GICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc2ccccc2c1 108912729 BHSRPDVTIFIQIA-JWGURIENSA-N 379.419 4.092 10 40 GICB O=C1/C(=C\c2ccccc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2 110422916 WLNAZPWUQYMHOA-RQZCQDPDSA-N 398.553 4.135 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OC)c1OC 1506138 FDFXZEHGNPDDOI-RVDMUPIBSA-N 387.482 4.118 10 40 GICB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)cc1 101013441 MBRKMRWBIVKHKJ-VCHYOVAHSA-N 376.441 4.209 10 40 GICB CCN(CC(=O)NC(C)(C)C)Cc1c(O)ccc2cc(Br)ccc12 6859784 PIYNXVGSQUEJNF-UHFFFAOYSA-N 393.325 4.045 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 222786316 QCGNBJODABRYJH-SFTDATJTSA-N 392.528 4.187 10 40 GICB Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 1129598 VCYFLFRKUADARP-XMHGGMMESA-N 396.537 4.237 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)c(OC)c1 5371288 SKNRKLGPNUZPDA-YVLHZVERSA-N 387.482 4.118 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCCC3)ccc21 16838192 DMIFBVOJZLHIOS-JOCHJYFZSA-N 397.950 4.289 10 40 GICB O=C1OC2(CCCCC2)OC(=O)C1=Cc1cccc(OCc2ccccc2)c1 4501776 MZHJFIZMWRWVEU-UHFFFAOYSA-N 378.424 4.409 10 40 GICB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccccc4)S3)CC2)cc1Cl 5852981 GZBDFNAYVRADFL-CPNJWEJPSA-N 397.931 4.441 10 40 GICB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccc(N2CCCC2)cc1 40089165 BACLQOQGUSBYAY-UHFFFAOYSA-N 378.501 4.044 10 40 GICB COc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl 225745600 UQUQTPLHVQRDQW-UHFFFAOYSA-N 389.952 4.478 10 40 GICB Cc1cc(C(=O)Cn2ncc3ccccc3c2=O)c(C)n1-c1ccc(Cl)cc1 8190425 FEODXPLJXOGBEQ-UHFFFAOYSA-N 391.858 4.340 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2)S1 4672809 LMBNQXWLQDOKHB-YVLHZVERSA-N 386.860 4.025 10 40 GICB O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)cc1 32604196 BNAUBDMHBJKXDT-UHFFFAOYSA-N 395.303 4.373 10 40 GICB COc1ccc(N(C)CCNC(=S)Nc2cccc(C(F)(F)F)c2)cc1 225797753 NMMZAFAEYXLMFQ-UHFFFAOYSA-N 383.439 4.137 10 40 GICB COc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 22517520 JABBFGLDUGPQIS-QGZVFWFLSA-N 384.545 4.483 10 40 GICB CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)OC2=O)c(OC(C)=O)c1 408741814 LICXSFFIVZENIT-CXUHLZMHSA-N 398.798 4.172 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1Cl 409336247 NEFVJGAZVRHFJN-YBEGLDIGSA-N 393.830 4.105 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2OC(F)F)SC1=S 3375945 VOBSKUVRGSNRKH-YHYXMXQVSA-N 381.372 4.111 10 40 GICB CCCOC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 16679456 FKJYFPMVTORTNR-FAIWILQLSA-N 375.515 4.177 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3F)N3CCCCC3)ccc21 9137571 JVOBDTWQPMITIR-HSZRJFAPSA-N 395.522 4.165 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 5516496 WSOVMIDDFIJMTF-BGQXKEBWSA-N 397.891 4.387 10 40 GICB O=C1N=C(NC(=O)c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccccc1 9044309 VFQBPNPRYTYELO-ZSOIEALJSA-N 377.252 4.394 10 40 GICB O=C1N=C(O)N(c2ccccc2F)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 13799387 IRBFROZAKSDDSZ-PTNGSMBKSA-N 394.333 4.096 10 40 GICB Cc1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1Cl 33709373 AAVKHOKPYOUKQQ-ATVHPVEESA-N 378.815 4.370 10 40 GICB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225695754 YHIANWQGEJNNCH-HNNXBMFYSA-N 383.517 4.121 10 40 GICB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1O 9188918 QNCQQSGCSRAUGW-HKWRFOASSA-N 378.497 4.317 10 40 GICB CCCCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S 2239774 SQKCAUSSKMYQSI-PEZBUJJGSA-N 377.531 4.401 10 40 GICB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1c(O)cccc1OC)NC2 4191594 YUDFNRUFPQHGDK-QHCPKHFHSA-N 394.471 4.182 10 40 GICB C[C@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 65222430 ZIHWCRXEFRBWRU-ZDUSSCGKSA-N 393.915 4.363 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 222809374 WASLMISPPKOBFP-RTWAWAEBSA-N 392.528 4.182 10 40 GICB Cc1nc2ccc(F)cc2cc1C(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1 19718321 PASFMTDHHYRGFZ-OAHLLOKOSA-N 393.462 4.010 10 40 GICB O[C@@]1(c2ccc(Cl)cc2Cl)CN(c2ccccc2)C2=[N+]1CCCS2 3226879 MQLYLSGXDJMIQB-GOSISDBHSA-N 380.320 4.164 10 40 GICB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 8997437 SOBQPAGCHSUXSI-OAQYLSRUSA-N 390.487 4.343 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1O 13659804 OKNUPJJLLMUUPE-DHDCSXOGSA-N 377.874 4.460 10 40 GICB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc1 38180521 MBRKMRWBIVKHKJ-ZDLGFXPLSA-N 376.441 4.209 10 40 GICB C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)cc1 140011795 RYRPOQIYANXTRT-CQSZACIVSA-N 375.925 4.224 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C(=O)O)cc3)c2C)SC1=S 409350406 RJIGNEBFDWUUNK-YBEGLDIGSA-N 386.498 4.013 10 40 GICB COc1ccc(N2CCN(C(=O)CCc3ccc(C(C)(C)C)cc3)CC2)cc1 8138781 JCCQTCAVYQDMOY-UHFFFAOYSA-N 380.532 4.274 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1cccs1 103918016 WOJKRYXYJCNKHR-AQTBWJFISA-N 384.461 4.223 10 40 GICB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)NCc3ccco3)C2=O)cc1 8992853 SHJPIANUUVZFSJ-PGMHBOJBSA-N 387.439 4.103 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)NC1=S 409004315 AFYRUVUMGIPBSC-MOSHPQCFSA-N 375.497 4.325 10 40 GICB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1cc([N+](=O)[O-])ccc1Cl 213034748 WEZKHOQQXIJSDB-RIYZIHGNSA-N 377.784 4.470 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 1021773 LTBOBBZKPODHCJ-NTUHNPAUSA-N 395.629 4.313 10 40 GICB Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1 3249854 AOMNSBAKKPRJOM-QGZVFWFLSA-N 376.456 4.128 10 40 GICB O=C1/C(=C\c2cccn2-c2ccc(O)cc2)N=C(O)N1c1cccc(Cl)c1 9087225 NWCAXWDKIMYGNI-LDADJPATSA-N 379.803 4.138 10 40 GICB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1F 225608145 GAXIODMSAXETTH-KRWDZBQOSA-N 390.524 4.410 10 40 GICB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1OC 225694374 JJFHGKQNASLGFR-HNNXBMFYSA-N 385.533 4.352 10 40 GICB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260466199 HKHSFVLNYLIUKP-ZWKOTPCHSA-N 382.504 4.188 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 4812187 XQKHVENFBUOACR-QNGOZBTKSA-N 399.406 4.438 10 40 GICB Cc1cccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1 106953511 HOXLSJRIZWXBAR-BKUYFWCQSA-N 385.492 4.173 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 5791450 WNIVKCDSSWFPFS-UNOMPAQXSA-N 396.874 4.283 10 40 GICB C[C@H]1CN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@H](C)O1 33850959 AANABLUNKXOBFF-PJSUUKDQSA-N 383.879 4.187 10 40 GICB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218175185 PZWSEAOMNVNBQI-QGZVFWFLSA-N 382.504 4.431 10 40 GICB Cc1ccc(CN2C(=O)N/C(=C\c3cc(F)c(N4CCCC4)cc3C)C2=O)cc1 33793707 BLOVKBFTCDJEMC-MOSHPQCFSA-N 393.462 4.136 10 40 GICB Cc1cc(N[C@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1 946888 IMWNEYJBYYRRFU-GOSISDBHSA-N 376.372 4.347 10 40 GICB COCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 4808101 RCQWTHUXGDCZQA-XNTDXEJSSA-N 379.890 4.448 10 40 GICB CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(C(=O)OC)cc2)C1=O 13659136 HFGOVTGAMMGJKK-ATVHPVEESA-N 399.493 4.278 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C(=O)N=C2S1 34387835 BLFBPJVNJCEJGE-OTHHCBNDSA-N 391.500 4.350 10 40 GICB Cc1cc(C(=O)OCC(=O)Nc2c(F)cccc2F)c(C)n1-c1ccccc1 3250725 CJFCFZMBVFVAKW-UHFFFAOYSA-N 384.382 4.168 10 40 GICB CCN(CC)C(=O)Cn1cc(/C=C2/C(=O)N(C)c3ccccc32)c2ccccc21 3648308 DJONARMHMSPYGV-XSFVSMFZSA-N 387.483 4.027 10 40 GICB COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC 13389142 SYIBZGJJUGLAAE-SXGZJXTBSA-N 382.416 4.447 10 40 GICB O=C1/C(=C/c2cccc3nccnc23)SC(=S)N1CCc1ccccc1 13689018 UDOLVXSNOVEFCE-LGMDPLHJSA-N 377.494 4.074 10 40 GICB CCc1cc2c(SCc3cc(=O)oc4cc(O)c(O)cc34)ncnc2s1 2663735 YGOKKUZVEXLJBC-UHFFFAOYSA-N 386.454 4.064 10 40 GICB COc1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1NC(C)=O 25579644 PDWQUODNTAHDPZ-UHFFFAOYSA-N 377.444 4.313 10 40 GICB COc1cc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc(OC)c1O 97990639 YBTIKHRCTKQQAY-LICLKQGHSA-N 384.457 4.109 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 19842371 JCMYDASRZYZTPY-PGMHBOJBSA-N 391.540 4.037 10 40 GICB CC[C@@H](C)[C@@H](NCc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O)C(=O)O 11866773 IJFCFMROTGGCBB-LRTDBIEQSA-N 395.455 4.063 10 40 GICB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 4746546 MVMKNNCZMVHXKD-SSZFMOIBSA-N 377.531 4.184 10 40 GICB Cc1sc2ncnc(SCc3cc(=O)oc4cc(O)c(O)cc34)c2c1C 3279127 BXBNYHFVIQGECU-UHFFFAOYSA-N 386.454 4.118 10 40 GICB C[C@@H]1CN2c3ccccc3C(C)(C)[C@@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O 4817373 YXVYMGORJIFWRG-GFLSLHFZSA-N 375.516 4.026 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2coc3ccccc3c2=O)SC1=S 409381690 IQNWXYGLEUAJGG-YVLHZVERSA-N 395.461 4.207 10 40 GICB CCN(CC)c1ccc(/C=C2\N=C(c3ccc(Br)cc3)NC2=O)cc1 4615421 XEFVANLRIXXVHW-AQTBWJFISA-N 398.304 4.213 10 40 GICB Cc1ccc(N2C[C@](O)(c3ccc(Cl)cc3Cl)[N+]3=C2SCCC3)cc1 4086736 XREWPQOUPJHFCM-IBGZPJMESA-N 394.347 4.473 10 40 GICB CCN(CC)c1ccc(/C=C2\SC(=S)N(CN3CCCCC3)C2=O)cc1 13477023 ZBHAUOMSPWHVJG-JXAWBTAJSA-N 389.590 4.177 10 40 GICB Cc1cc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ccccn2)ccc1N1CCCC1 100149034 WRHUIALKSKNVRO-VXKWHMMOSA-N 391.559 4.110 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 222786566 LDSYIASZJMLMMN-SFTDATJTSA-N 392.528 4.187 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2ccc(F)cc2s1 32772606 IUHPAHQVJDARHU-UHFFFAOYSA-N 384.476 4.149 10 40 GICB COc1ccc(Br)cc1CN(C)Cc1cc2c(cc1O)CCC2 7778452 PDFDBNXMHHDOMW-UHFFFAOYSA-N 376.294 4.284 10 40 GICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1ccccc1 100095487 LNLCFDTZSKYRSV-RGEXLXHISA-N 376.485 4.125 10 40 GICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccc(Cl)cc1 16675843 JHZFIMURXJYITD-NBVRZTHBSA-N 383.904 4.133 10 40 GICB COc1ccccc1N1C(=O)/C(=C\c2cc3ccccc3oc2=O)SC1=S 409339674 KKOKPPMHMHXKSF-GZTJUZNOSA-N 395.461 4.207 10 40 GICB CC[C@@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408898019 KNXZQGHVJFQSTB-LVLBFHFTSA-N 398.846 4.184 10 40 GICB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 223640203 UADHYAVLFGDUJZ-UHFFFAOYSA-N 381.453 4.035 10 40 GICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccccc1Cl 408982730 FBKRVWYRWGIOTO-BOPFTXTBSA-N 383.831 4.226 10 40 GICB CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cc3ccccc3o2)cc1 8342360 BNFWUJZDURYFHN-FQEVSTJZSA-N 378.472 4.320 10 40 GICB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3C)C2=O)c2ccccc21 17247484 LPUPIIHYMZYCBW-QGOAFFKASA-N 387.439 4.231 10 40 GICB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(-n3c(C)ccc3C)nc2)cc1 72216772 XNIVFQNBJRYMTJ-NRFANRHFSA-N 395.528 4.323 10 40 GICB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc(OC)c(C(C)C)c2)cc1 225244562 ZVVCEJAKEXDGEK-UHFFFAOYSA-N 390.549 4.143 10 40 GICB N=C1/C(=C/c2coc3ccccc3c2=O)C(=O)N=C2SC=C(c3ccccc3)N12 5035158 YVIHDTXUSXQJEE-BHBBQXGTSA-N 399.431 4.097 10 40 GICB O=C1/C(=C\c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)cc1 6084838 UQAWSZFSAIJGNO-OVCLIPMQSA-N 375.858 4.475 10 40 GICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccc(F)c1 6348293 ALWGWZXDFOCHMZ-DHDCSXOGSA-N 389.785 4.495 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)cc3F)n2C)cc1 7423629 DXHINYIROATENM-UHFFFAOYSA-N 389.427 4.105 10 40 GICB Cc1ccc(-n2c(C)cc([C@H]3NC(N)=Nc4nc5ccccc5n43)c2C)c(C)c1 13124388 IQCCIAHFNGIBEN-NRFANRHFSA-N 384.487 4.157 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCCc1ccc(OC)cc1 18202521 GCNIJGGROXPCLG-HKWRFOASSA-N 381.451 4.053 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 41108115 XHUHZEJKAMBENK-OTHHCBNDSA-N 391.500 4.350 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 222786746 LDSYIASZJMLMMN-NHCUHLMSSA-N 392.528 4.187 10 40 GICB CCc1cc(=O)oc2c(C)c(O)c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)cc12 524730568 NMRPWGZCNJVZND-GHTZIAJQSA-N 398.547 4.066 10 40 GICB biogenic CCOc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(OC)c2)SC1=S 1293684 VHYPLDSORUMIHC-BOPFTXTBSA-N 387.482 4.205 10 40 GICB COc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1OC 2120752 KFDFQYSYKINNDA-UHFFFAOYSA-N 389.407 4.320 10 40 GICB biogenic Cc1cc(C(=S)N=P(N(C)C)(N(C)C)N(C)C)c(C)n1-c1ccccc1 5577881 MIJMOJRMSHENDU-UHFFFAOYSA-N 391.525 4.401 10 40 GICB COc1ccc([C@H]2CC(c3c(O)ccc4ccccc34)=NN2C(C)=O)cc1OC 5855422 AJPOORVEBHHPGL-LJQANCHMSA-N 390.439 4.260 10 40 GICB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 33337821 KSAGQGFCAIBLBV-AQTBWJFISA-N 383.542 4.224 10 40 GICB O=C1OC2(CCCCC2)OC(=O)C1=CNc1nc(-c2ccc(F)cc2)cs1 35592637 XBFJPTYMPQSIDC-UHFFFAOYSA-N 388.420 4.005 10 40 GICB O=C1N/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1Cc1ccccc1Cl 409076114 XYDJXONQHYYYQB-PDGQHHTCSA-N 399.853 4.172 10 40 GICB CCN1C(=O)N/C(=C\c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)C1=O 409234841 NDVAMDBUNCSMIR-PXNMLYILSA-N 378.259 4.314 10 40 GICB CCN1C(=O)/C(=C/c2ccc(NC(=O)C(C)(Cl)Cl)cc2)SC1=S 3191489 JNKHSOWOFHCZMU-FLIBITNWSA-N 389.329 4.040 10 40 GICB CCc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 9188378 VSVQUMKLFHXUHN-ZDLGFXPLSA-N 383.494 4.379 10 40 GICB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1CCc1ccc(O)cc1 10232937 UCZBLJUBIOMIRN-WQRHYEAKSA-N 380.494 4.317 10 40 GICB COC(=O)c1ccc(/C=C2\SC(Nc3cccc(C(F)(F)F)c3)=NC2=O)o1 65487965 NXCQTDZZVFARFR-JYRVWZFOSA-N 396.346 4.167 10 40 GICB COc1ccc2nc(SCC(=O)c3cc(C)n(-c4ccccn4)c3C)[nH]c2c1 8461607 MUDLFFODLCSPOA-UHFFFAOYSA-N 392.484 4.349 10 40 GICB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 260775003 OQRHWIDRFFMJAW-IPHXSNPTSA-N 394.544 4.280 10 40 GICB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccc(F)cc2)N1c1ccccc1 408754844 OPDAHKMWTTUDEL-XDHOZWIPSA-N 386.382 4.389 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O 12625252 FLQSQFXMIYNSSH-BOPFTXTBSA-N 387.482 4.205 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)C(=O)N(c3ccccc3)C2=O)cc1 59139057 GVCKXBDBFUSMRJ-XSFVSMFZSA-N 386.407 4.480 10 40 GICB COc1cccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)c1 51330800 QDWCSKXJJCSBSN-ZDLGFXPLSA-N 381.478 4.420 10 40 GICB O=C1N/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Cl 4106750 YFXRZDLTLYEHBE-UYRXBGFRSA-N 381.863 4.033 10 40 GICB O=C1/C(=C\c2cn[nH]c2-c2ccccc2)SC(=S)N1Cc1ccccc1 8553658 IHLBEDUWOOSYAK-GZTJUZNOSA-N 377.494 4.478 10 40 GICB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)cc2F)S1 260775055 OZHHLQRZIWMION-VOBQZIQPSA-N 382.508 4.410 10 40 GICB CSc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408984025 HTVWOCXYDIMZHD-DHDCSXOGSA-N 386.860 4.037 10 40 GICB Cc1ccc(/N=N\c2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1 409382109 KZWLHNQIKOANQH-AJSNKPEVSA-N 391.427 4.393 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 4688431 NJEGXJORFHFSRL-XSFVSMFZSA-N 395.890 4.423 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)cc1 7289019 NXHUAPJIDUGUCF-UHFFFAOYSA-N 383.473 4.338 10 40 GICB CCN(CC)c1ccc(CN2CCC(C(=O)NCCc3ccccc3)CC2)cc1 9096548 ROSLKXNISSZYAY-UHFFFAOYSA-N 393.575 4.104 10 40 GICB CCOc1ccc(NC2=NC(=O)/C(=C\c3cc(OC)ccc3OC)S2)cc1 35644602 OBOJPQJDOKIMJF-LDADJPATSA-N 384.457 4.185 10 40 GICB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 2278286 ORCGWLRQUMZBCZ-DTQAZKPQSA-N 397.475 4.344 10 40 GICB O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4718526 PJWMSJZDTARCKR-AHIWAGSCSA-N 381.344 4.028 10 40 GICB CCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(OC)cc1OC)CO3 6785150 AUDLYOAPUZZEGQ-UHFFFAOYSA-N 381.428 4.038 10 40 GICB Cc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2Cl)C1=O 15013444 LNMHGGQZGRAERZ-DEDYPNTBSA-N 395.890 4.342 10 40 GICB O=C1N=C(O)/C(=C\c2cccc(Br)c2)C(=O)N1c1ccc(F)cc1 59135017 RTIXSKCKAUIRAE-NTEUORMPSA-N 389.180 4.095 10 40 GICB COc1cc(N2CCCC2)ccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222593705 JASAKRMAVDZIMO-IWMITWMQSA-N 394.544 4.280 10 40 GICB CC1=CSC2=NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=N)N12 4150600 BVYWRBJKXGMGSM-PQOWSYMHSA-N 380.448 4.400 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 35105116 FUJOBLJDAWSRBY-RVROMCMOSA-N 377.473 4.042 10 40 GICB CCCc1cc(=O)oc2c(CN3CCO[C@@H](c4ccccc4)C3)c(O)ccc12 95479356 IJILDIGSASOXAA-OAQYLSRUSA-N 379.456 4.025 10 40 GICB COc1ccc(-c2csc(N3N=C(C)[C@H](/N=N/c4nccs4)C3=O)n2)cc1 100510756 NHVSQGNWUDZYBE-PXKHIBQASA-N 398.473 4.150 10 40 GICB Oc1ccc2cc(Br)ccc2c1CN1CCN(c2ccccn2)CC1 3358343 RBOYTLWGWGCJMB-UHFFFAOYSA-N 398.304 4.025 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)S1 5457925 RRRWAFPOCYEJEG-QPEQYQDCSA-N 381.240 4.360 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O 35040805 SRHIXJHNHXVCBI-WOJGMQOQSA-N 399.493 4.399 10 40 GICB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408706915 FCDLGIBSQJSUBX-QGZVFWFLSA-N 391.446 4.225 10 40 GICB CCc1ccc(/C=C2\C(=O)N(Cc3ccc(C)cc3)C(C)=C2C(=O)OC)cc1 409061066 URUCBTLLNQRRKS-STZFKDTASA-N 375.468 4.430 10 40 GICB CC(C)(C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 108175488 WNACLHFSCJOFTI-HKWRFOASSA-N 386.451 4.479 10 40 GICB O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3ccccc3F)s2)SC1=S 24752131 DFVLCXNZNTWNPF-NTEUORMPSA-N 393.486 4.230 10 40 GICB Cc1cc(C(=O)Nc2ccc(N3CCCC3)cn2)c(C)n1-c1ccccc1F 84081332 MCCPTOCAAWHLHN-UHFFFAOYSA-N 378.451 4.481 10 40 GICB CCn1cc(NC(=O)N2CCN(c3ccc(OC)cc3)CC2)c2ccccc21 5265961 SJMIQLGMVHJSNN-UHFFFAOYSA-N 378.476 4.024 10 40 GICB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(N(C)C)c([N+](=O)[O-])c2)S1 6822241 ANUHGUHIJKSUDR-BOPFTXTBSA-N 382.445 4.052 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3Cl)n2C)cc1 7423756 OSQMBYMJABGMDJ-UHFFFAOYSA-N 387.892 4.480 10 40 GICB C[C@@H]1[C@H](/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C 16608277 GJEDYODRNPXMLU-CNPAHOQCSA-N 387.527 4.179 10 40 GICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 408990987 YPEXNRAIDPGCCB-DHDCSXOGSA-N 389.238 4.222 10 40 GICB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5374268 BUZOMOAELBKRSW-ASIPPBRESA-N 375.515 4.333 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccc(Cl)nc3)c2C)cc1 6634405 PTNGSPXKKJUOHD-UHFFFAOYSA-N 398.846 4.191 10 40 GICB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(N2CCCC2)cc1 7179202 AXFQAYYHNXMEID-UHFFFAOYSA-N 392.528 4.418 10 40 GICB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccc(N2CCCC2)cc1 10113672 GDCPMJKPKYOZKE-UHFFFAOYSA-N 399.343 4.213 10 40 GICB Cc1ccc(Cl)cc1-c1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)o1 34719606 WJJUEXNXIYPIBS-PDGQHHTCSA-N 378.815 4.370 10 40 GICB CCc1ccccc1N1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)SC1=S 35040274 PSVYZHIITODNJH-SFQUDFHCSA-N 383.494 4.441 10 40 GICB CCCCCCOc1ccc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OCC 408540544 TVJFRDIHFWCBAC-QGOAFFKASA-N 390.505 4.151 10 40 GICB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCC4)c3oc2=O)cc1OC 4353880 RAKHBBUGGJUOBF-UHFFFAOYSA-N 395.455 4.087 10 40 GICB biogenic CCCN1C(=O)/C(=C\c2ccccc2OCC)C(=O)N(c2ccccc2)C1=S 4739657 ARAREOIHZFACOO-OBGWFSINSA-N 394.496 4.039 10 40 GICB O=C1/C(=C\c2ccncc2)SC(=S)N1c1ccc(Br)cc1 5855966 NQGCQCQXWVMXCB-UKTHLTGXSA-N 377.288 4.250 10 40 GICB CCc1ccccc1N1C(=O)/C(=C/c2cc(C)c(O)c(C)c2)C(O)=NC1=S 38173097 BNUXFDQHNIAZQE-LFIBNONCSA-N 380.469 4.243 10 40 GICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 4699130 HCFVZJWAQLCOMU-PDGQHHTCSA-N 383.831 4.226 10 40 GICB CCN(C)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1 5261307 XGSOGDYXRKTESF-BOPFTXTBSA-N 397.862 4.300 10 40 GICB Cc1cccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c1C 5374765 PUHGYAULWSAVPE-GZTJUZNOSA-N 382.510 4.387 10 40 GICB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3nccn3CC(F)(F)F)S2)c1 96316204 ZKKGXGARGPMCJP-MDWZMJQESA-N 380.395 4.145 10 40 GICB O=C1N=C(S)N(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(F)cc1 103101457 GEEXAFXUUCDJGO-SFQUDFHCSA-N 391.427 4.134 10 40 GICB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222596039 OQRHWIDRFFMJAW-ONGXBYRLSA-N 394.544 4.280 10 40 GICB CCOc1c(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cccc1OC 409341274 AQRDMRLPOZOQFO-ATVHPVEESA-N 385.510 4.495 10 40 GICB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)C=[N+]=[N-])[C@@]4(C)CC[C@@H]32)C1 4104881 VZJASVVRXMLTSG-MTMZYOSNSA-N 384.520 4.367 10 40 GICB biogenic,in-vitro O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 6096700 PWBQFERDVGNGGR-RIYZIHGNSA-N 377.784 4.470 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)ccc3C)n2C)cc1 7423525 AGIYTBOWQKXDGZ-UHFFFAOYSA-N 381.501 4.443 10 40 GICB COc1cccc(Oc2c(C)oc3c(CN4CCCC4)c(O)ccc3c2=O)c1 20444434 RHGHWEFICNJBNK-UHFFFAOYSA-N 381.428 4.204 10 40 GICB biogenic CC(=O)c1cc2c(cc1NC(=O)c1ccc(-n3c(C)ccc3C)cc1)OCO2 22372076 IUPNTHGJMKJKSG-UHFFFAOYSA-N 376.412 4.278 10 40 GICB Cc1cc(C(=O)/N=c2\[nH]c3ccccc3n2C(C)(C)C)c(C)n1-c1ccccn1 89580068 YGWWTUGJGSNQHN-UHFFFAOYSA-N 387.487 4.268 10 40 GICB CC(=O)Nc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1 409023247 ZHNMFOREOOAAEC-YBFXNURJSA-N 397.500 4.497 10 40 GICB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3C)c2C)C1=O 409106821 MXNRJHSCKFIJKE-WOJGMQOQSA-N 398.484 4.245 10 40 GICB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc2c(c1)OCCO2)C3 5489993 NPKPRRBNGZHMAD-UHFFFAOYSA-N 399.830 4.137 10 40 GICB CCOc1ccc(/C=C2/SC(Nc3ccccc3OC)=NC2=O)cc1OC 6870527 BLWIKKUFMAWKDH-LDADJPATSA-N 384.457 4.185 10 40 GICB CC(C)N(C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1)C(C)C 1346192 SZUBXBCWLJVIPE-UHFFFAOYSA-N 386.477 4.129 10 40 GICB CCOc1ccc2c(c1)SC1=NC(=O)/C(=C/c3ccc(N(C)C)cc3)C(=N)N12 13815847 ZVOLNZGTOUDASR-SAIIIAOYSA-N 392.484 4.020 10 40 GICB C[C@@H]1CCN(C(=O)CN(C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 7990542 RALISEZULMHLPK-QGZVFWFLSA-N 383.561 4.102 10 40 GICB Cc1ccc(C)n1Cc1ccc(C(=O)NC[C@H]2CCCN3CCCC[C@@H]23)cc1 504208034 JYORXJOTXPFKMG-PKTZIBPZSA-N 379.548 4.148 10 40 GICB biogenic Cc1ccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222737645 FIBUKRWRQGBSAQ-LEWJYISDSA-N 376.529 4.400 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCO4)cc2)C1 225690299 UULAAXVUOBGDOM-OAHLLOKOSA-N 383.517 4.138 10 40 GICB COc1ccc(/C=C2/SC(=S)NC2=O)cc1OCc1ccccc1Cl 5165844 BUYSOKSZHXKVLC-CXUHLZMHSA-N 391.901 4.416 10 40 GICB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccccc1Cl 12032497 YNKIDOIXJGVBFJ-NTEUORMPSA-N 392.864 4.025 10 40 GICB CCCC1=NN2C(=N)/C(=C\c3cc(Cl)c(O)c(Cl)c3)C(=O)N=C2S1 4670459 WPSHSPOIIKVHEH-JTWKBZCVSA-N 383.260 4.118 10 40 GICB Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c(C)c1 4745481 WSBTXRLPOISELP-LFIBNONCSA-N 386.498 4.126 10 40 GICB O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 6274876 NJNMWFMFDSQZAU-OCOZRVBESA-N 384.395 4.337 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)c(Cl)c1 12555294 MRAINDFDGUXDGT-UHFFFAOYSA-N 379.287 4.102 10 40 GICB O=C1OC2(CCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2F)cc1 1427447 NFBADLAWJNAFMO-UHFFFAOYSA-N 382.387 4.158 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)cc1 35038955 QZDZVZGITXZCIC-CXUHLZMHSA-N 385.466 4.108 10 40 GICB Cc1nc(C2CC2)nc2sc(C(=O)NCc3ccc(N(C)C)cc3)c(C)c12 32909746 DWYGGIFKFGIQMW-UHFFFAOYSA-N 380.517 4.182 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 222793772 WWFOSLCJMTXXTL-NHCUHLMSSA-N 391.544 4.185 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 3069367 ZANWWRMLUZSJND-YBEGLDIGSA-N 384.438 4.203 10 40 GICB CCC[C@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374282 DMFRFOWGGGIZHI-IBIMOMITSA-N 381.906 4.264 10 40 GICB O=C1c2ccccc2S(=O)(=O)N1CNc1ccc(/N=N/c2ccccc2)cc1 27024056 FKRZRQZCUKAURW-GHVJWSGMSA-N 392.440 4.316 10 40 GICB Cc1ccc(Sc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)o2)cc1 13496523 FUTXMERIQQASRF-AQTBWJFISA-N 376.437 4.201 10 40 GICB CCCC(=O)Nc1ccc(CNC(=O)N(CCC)Cc2ccccc2O)cc1 66699837 KONIIIIXXXNAEZ-UHFFFAOYSA-N 383.492 4.253 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1 408973816 BYIXOXFDARXWDP-PGMHBOJBSA-N 391.467 4.001 10 40 GICB O=C1N=C(NC(=O)c2ccccc2)S/C1=C\c1ccc(Cl)cc1Cl 409145571 QIGWUFREZWPYBY-ZSOIEALJSA-N 377.252 4.394 10 40 GICB COc1ccc(NC2=NC(=O)/C(=C/c3cc(OC)c(OC)cc3C)S2)cc1 34706791 UMTGWWKGVYKHNK-WQRHYEAKSA-N 384.457 4.103 10 40 GICB COC(=O)c1cccc2c1N[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]1CC=C[C@@H]21 226638080 BXKKNAXMJZILHM-SIFCLUCFSA-N 395.455 4.326 10 40 GICB Cc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccc(F)cc2)cc1 14153067 RDBCTOWQOKOOLA-UHFFFAOYSA-N 380.419 4.259 10 40 GICB CCN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=S 6594303 WCEKPUCXMYBCEG-DAXSKMNVSA-N 397.113 4.026 10 40 GICB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)CS3)c(C)n1-c1ccccc1 24295224 HZCGTHXXOUOZAY-UHFFFAOYSA-N 377.469 4.391 10 40 GICB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 408755660 RVYINDJHNIOGJW-CJLVFECKSA-N 383.451 4.293 10 40 GICB CCN(CC)c1ccc(CNC(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408718544 WUCGZTJFTHBTDB-UHFFFAOYSA-N 394.302 4.095 10 40 GICB CCCc1cc(=O)oc2c(CN(C)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 524729936 OXMJGBKDZTURMI-GHTZIAJQSA-N 398.547 4.147 10 40 GICB biogenic Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CCCC(=O)O)C3=O)o2)cc1 13592187 IDCVIGVIJDCVMJ-WJDWOHSUSA-N 387.482 4.321 10 40 GICB COc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] 1095890 GAXIHNQNTFGQFH-MHWRWJLKSA-N 386.454 4.005 10 40 GICB COc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1OC 2115769 NZAMWYRJZPZYQA-UHFFFAOYSA-N 393.439 4.046 10 40 GICB biogenic COc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c(OC)c1 5622835 QIZKGALVFYRDRF-UHFFFAOYSA-N 393.439 4.151 10 40 GICB Ic1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@H]21 6547935 ZMAYSCPWRLHCTG-GBOPCIDUSA-N 375.253 4.444 10 40 GICB COc1ccc(N2CCN(c3nc(-c4cccnc4)nc4ccccc34)CC2)cc1 8178427 GUGWSVLIWYFJBH-UHFFFAOYSA-N 397.482 4.027 10 40 GICB O=C1NC(=S)S/C1=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1 408766173 SFXKGDAQHPXKHH-ZSOIEALJSA-N 375.858 4.048 10 40 GICB Cc1c(/C=C2/NC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1 409189971 ORFKNRWWDCSWAN-WOJGMQOQSA-N 379.847 4.174 10 40 GICB COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 409231182 IERQZVZOCXZJKT-LDADJPATSA-N 397.862 4.046 10 40 GICB CC(=O)c1sc2c(c1O)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1 1016688 NTHPNPZTOAZBEV-UHFFFAOYSA-N 394.477 4.481 10 40 GICB Cc1cc(C(=O)COC(=O)[C@H]2C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 3372985 ILKHGRIDFBOTDY-BZNIZROVSA-N 377.387 4.077 10 40 GICB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1F 16268483 ASWUNVRRZQPQFS-NSIKDUERSA-N 395.253 4.320 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(OC(C)=O)cc3)SC2=S)cc1 83302509 WGQPPXKJNMBHJW-LDADJPATSA-N 399.493 4.416 10 40 GICB CCN(CCNC(=S)Nc1ccc(OC)c2ncccc12)c1ccc(C)cc1 225794726 RXKJCSDDTMGNNF-UHFFFAOYSA-N 394.544 4.365 10 40 GICB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 408967989 YJRWTXDZIFKMNG-KGENOOAVSA-N 399.450 4.069 10 40 GICB Cc1cc(C(=O)OCC(=O)NC2CCCCCCC2)c(C)n1-c1ccccc1 3321107 FMGRGYPTCFZBBD-UHFFFAOYSA-N 382.504 4.480 10 40 GICB CCc1ccc(/C=C2/SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 97497861 CSTFFACJSCSUKJ-CAPFRKAQSA-N 377.513 4.042 10 40 GICB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)SC(=S)N1c1ccccc1 5201136 IGIJFELDKBVYJO-VIZOYTHASA-N 375.858 4.475 10 40 GICB COCCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 27018660 SZGZAPWWGCZVHL-WJDWOHSUSA-N 377.462 4.323 10 40 GICB Cc1cc(/C=C2/C(=N)N3N=CSC3=NC2=O)c(C)n1-c1ccc(C(C)C)cc1 33663882 SQZPWYVLIDVXRC-KUOUREISSA-N 391.500 4.467 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)c(Br)c1 1212483 DAVCCPIDTRBITI-WJDWOHSUSA-N 384.277 4.321 10 40 GICB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(Br)cc1 14671680 CYXMQEYBDUTEHS-ZROIWOOFSA-N 375.247 4.237 10 40 GICB C[C@H]1CC(C)(C)N(C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 208199388 JMLKXDHBALMBEB-GQFJFNLSSA-N 389.524 4.179 10 40 GICB Cc1cc(C(=O)COC(=O)[C@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 7180847 LIXWQKCPHAZTDF-GOSISDBHSA-N 395.377 4.018 10 40 GICB O=C(CSc1nc(-c2ccc(O)c(O)c2)cs1)c1cc([N+](=O)[O-])cs1 12173559 OJIQYWDDXUDDMT-UHFFFAOYSA-N 394.455 4.166 10 40 GICB COc1cccc(CN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)c1 100422673 BAJSJAIMIDQFMU-UYRXBGFRSA-N 392.484 4.091 10 40 GICB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C(=O)OC)ccc3C)c2C)C1=O 409068003 SDNMKAHRPDAIEZ-WOJGMQOQSA-N 398.484 4.245 10 40 GICB COc1cccc(/C=C2/SC(=S)NC2=O)c1OCc1cccc(Cl)c1 1169385 FMSBOLKMIUHEDU-OQLLNIDSSA-N 391.901 4.416 10 40 GICB O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccc(F)cc1 1267975 OLWZPHZONPZLNG-AQHRCUNFSA-N 398.484 4.222 10 40 GICB O=C1Nc2ccc(S(=O)(=O)Nc3ccc(O)c4ccccc34)c3cccc1c23 2494771 HPQFRSUJNLKMGN-UHFFFAOYSA-N 390.420 4.065 10 40 GICB C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1 8023586 FMTBWKOLRDZOJC-CVDCTZTESA-N 380.532 4.454 10 40 GICB C[C@@H]1[C@@H](/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C 16608273 GJEDYODRNPXMLU-NAEZADMHSA-N 387.527 4.179 10 40 GICB CCOc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1OC 35039392 RSBMDJTYQOSRPZ-MHWRWJLKSA-N 375.471 4.088 10 40 GICB O=C(O)CCN(CCC(=O)O)c1ccc(/C=C/c2ccnc3ccccc23)cc1 72137691 OAAAXCOHQBODFK-VMPITWQZSA-N 390.439 4.161 10 40 GICB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(C)cc3)CC2)cc1 224165626 HZKAYAZLHHVLPN-UHFFFAOYSA-N 393.575 4.370 10 40 GICB CCOc1ccc([C@H](NC(=O)c2cccnc2)c2ccc3cccnc3c2O)cc1 890435 IHGKRRGTIZSSFX-NRFANRHFSA-N 399.450 4.254 10 40 GICB COc1cc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 4959410 SYIBZGJJUGLAAE-AUSJPIAWSA-N 382.416 4.447 10 40 GICB COC(=O)c1sc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)c2c1N 27587084 QEVGHPDDAHSULI-UHFFFAOYSA-N 397.334 4.259 10 40 GICB CCOC(=O)/C(=C(/C)NCc1ccccc1)c1cc(O)c(Cl)c(Cl)c1O 19708233 IXCXXQUMDQONSE-PTNGSMBKSA-N 396.270 4.489 10 40 GICB O=c1oc2c(CNCc3cccc(C(F)(F)F)c3)c(O)ccc2c2c1CCC2 6760345 ZYBKHCHYTJHFCT-UHFFFAOYSA-N 389.373 4.296 10 40 GICB CC1CCN(c2ccc([C@H](C)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 225402329 VRUIUWCXAQGYPJ-KRWDZBQOSA-N 380.488 4.185 10 40 GICB O=C(CSc1ccc(F)cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4564172 XZOMGDRCABMDMH-UHFFFAOYSA-N 391.423 4.332 10 40 GICB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@H]21 10215877 DSUXZMFAJHEAQV-XXBNENTESA-N 387.439 4.428 10 40 GICB CCCOC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1809314 PZSHXEXLCJUJPT-SDQBBNPISA-N 390.313 4.148 10 40 GICB Cc1ccccc1N1C[C@](O)(c2ccc(Cl)c(Cl)c2)[N+]2=C1SCCC2 4086811 IGPGGVKEXIGRCQ-IBGZPJMESA-N 394.347 4.473 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2cc(Cl)ccc2OCc2ccccc2)S1 4675497 HOOCPRJPDQPSDF-YVLHZVERSA-N 386.860 4.025 10 40 GICB CO[C@H](C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O)c1ccccc1 9419288 VQSQHUGMJKHABK-GMAHTHKFSA-N 386.451 4.458 10 40 GICB COc1ccc2[nH]cc(/C=C3\SC(=S)N(Nc4ccccc4)C3=O)c2c1 9419329 ZNWCNBPZUMDCCL-MFOYZWKCSA-N 381.482 4.405 10 40 GICB Oc1ccccc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccc2c(c1)OCO2 10215219 LTXISQBKRVUWGH-MBSDFSHPSA-N 386.407 4.363 10 40 GICB Cc1cccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)c1 17145949 XCTYRXTVYWELCH-OIQQPNLJSA-N 380.860 4.316 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)ccc1O 17373721 SPXAQCRVGKEJGI-BOPFTXTBSA-N 387.482 4.205 10 40 GICB Cc1cc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ccccn2)ccc1N1CCCC1 100149039 WRHUIALKSKNVRO-FGZHOGPDSA-N 391.559 4.110 10 40 GICB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1Cl 8742581 VERLSFILVRVEHZ-YBEGLDIGSA-N 383.835 4.221 10 40 GICB O=C1N=C(Nc2ccccc2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1O 18209812 RLGMJXCKTAMTNH-ZSOIEALJSA-N 375.793 4.036 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 34379517 SCFVCBOZLMQCPY-LVKBRKGQSA-N 377.473 4.042 10 40 GICB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O 100147667 JBIWSJYZHCHZIN-KPKJPENVSA-N 392.198 4.413 10 40 GICB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 408708800 SYQAYKLJILPLLZ-FQEVSTJZSA-N 387.483 4.081 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl 408986559 MYZDSHKJWCPCGN-YVLHZVERSA-N 382.847 4.438 10 40 GICB COc1ccc(C[C@@H]2SC(=S)N(CCC3CCCCC3)C2=O)c(OC)c1 8115218 HFIKVYWFHCHIPF-SFHVURJKSA-N 393.574 4.446 10 40 GICB C[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)SC1=S 36092608 OBYGXGVVUGCSCY-MBBDXHFBSA-N 393.873 4.274 10 40 GICB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(c1ccc2c(c1)OCCO2)CO3 5516592 NNLJNGXZGOBRIU-UHFFFAOYSA-N 399.830 4.191 10 40 GICB O=C1C2=C3CCCCCN3[C@@H](c3ccc(Cl)cc3)NC2=NN1c1ccccc1 5824988 QIAQUPQDXGVHQQ-NRFANRHFSA-N 392.890 4.432 10 40 GICB COc1ccccc1C1(O)CCN(Cc2ccc(N3CCCC3)c(C)c2)CC1 12328211 FFDXFWANUMRQLK-UHFFFAOYSA-N 380.532 4.087 10 40 GICB COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4959539 HLPFWSVVQWOJLB-AVYPCKFXSA-N 382.416 4.447 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(C)c1 14415148 PNHANZSPFDSYQW-PGMHBOJBSA-N 375.468 4.300 10 40 GICB Cc1cc(C(=O)Nc2cc(CSCCO)ccn2)c(C)n1-c1ccccc1F 95979252 RAJKIXZFJVVXFQ-UHFFFAOYSA-N 399.491 4.106 10 40 GICB COC(=O)c1cccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)c1 5009304 ZCDVXXQDNJBRLV-HXUWFJFHSA-N 385.423 4.324 10 40 GICB Cc1c(Cc2ccccc2)c(=O)oc2c(CNCc3ccncc3)c(O)ccc12 9423683 SWYKEYILBZPEEY-UHFFFAOYSA-N 386.451 4.083 10 40 GICB O=C(O)c1ccccc1C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 4546243 ZHGXLDPTDDKQEI-FQEVSTJZSA-N 386.407 4.082 10 40 GICB CSc1ccc(/C=C2\C(=N)N3N=C(c4cccc(C)c4)SC3=NC2=O)cc1 4600393 HOODNYCKBIYCFN-SUIAZJLOSA-N 392.509 4.384 10 40 GICB CN(C)c1ccc([C@@H](CNC(=O)C2CCCC2)N2CCc3ccccc3C2)cc1 35560537 NXHKRQQTTLHYTN-XMMPIXPASA-N 391.559 4.158 10 40 GICB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 1461900 PHGUIQBXOQJKPJ-FUHIMQAGSA-N 377.440 4.476 10 40 GICB C[C@@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1 8023614 FMTBWKOLRDZOJC-WMZHIEFXSA-N 380.532 4.454 10 40 GICB CN(C)c1ccc([C@H](CNC(=O)CC(C)(C)C)N2CCc3ccccc32)cc1 5098636 VCNIUJYYZNPFDM-QFIPXVFZSA-N 379.548 4.409 10 40 GICB CCOc1cc(/C=C2\SC(NC3CCCC3)=NC2=O)cc(Cl)c1OC 23218698 GGRMQTKNNJDISP-GDNBJRDFSA-N 380.897 4.250 10 40 GICB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC 32904681 DCANUIDNSRCOLJ-CBHXRGPZSA-N 380.488 4.147 10 40 GICB O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Cl)cc1Cl 409213338 SLCGDTRSWNKNSZ-AWNIVKPZSA-N 395.629 4.313 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 58883962 NJWRALUEMZZACT-YVLHZVERSA-N 398.802 4.125 10 40 GICB Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)N(C2CCCCC2)C(=S)N1C 409081599 QDYVRLJUXVYHCK-HKWRFOASSA-N 383.561 4.328 10 40 GICB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1C 225695330 DYKDGFQWGSMTBQ-MRXNPFEDSA-N 397.544 4.429 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)ccc1O 1108167 MMILPRHBEBRBJC-OVCLIPMQSA-N 377.874 4.460 10 40 GICB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@H]21 10215870 DSUXZMFAJHEAQV-AUSIDOKSSA-N 387.439 4.428 10 40 GICB O=C1/C(=C/c2cccc3cccnc23)SC(=S)N1c1ccc2c(c1)OCO2 9419321 FEKJKNKTCGBXKK-MFOYZWKCSA-N 392.461 4.369 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 5218152 LYETVSYVTXLMLN-ZJNHSXOMSA-N 391.500 4.432 10 40 GICB CN(CCO)c1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 7884774 NQFHIIULHKFWQW-JOCHJYFZSA-N 391.446 4.025 10 40 GICB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=N)N2O1 41078303 VXVIKIQYYBASQJ-FNGBSHHDSA-N 393.830 4.369 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)cc1 5235993 WBNHHAYYUPVVEC-GZTJUZNOSA-N 393.493 4.182 10 40 GICB CN(C)c1ccc([C@H](CNC(=O)C2CCCC2)N2CCc3ccccc3C2)cc1 35560540 NXHKRQQTTLHYTN-DEOSSOPVSA-N 391.559 4.158 10 40 GICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 112124555 GPUOQXQMCNZXRY-ZHZULCJRSA-N 397.862 4.300 10 40 GICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 222739142 XPEBNOMWYCKQBR-UXHICEINSA-N 380.492 4.231 10 40 GICB O=C(c1ccccc1)c1ccccc1NC[C@@H](O)COc1ccc(Cl)cc1 1585935 GSBTWGCMIVOHLM-GOSISDBHSA-N 381.859 4.423 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3Cl)c2C)cc1 6390859 FDQVOZMOBNUCQI-UHFFFAOYSA-N 382.847 4.491 10 40 GICB O=C1N=C(O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccco1 34387643 YBJUKZQNXOYFQK-MHWRWJLKSA-N 380.331 4.181 10 40 GICB O=C(O)Cn1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c2ccccc21 408900990 BGJMSEBTMVXBFE-LICLKQGHSA-N 394.477 4.132 10 40 GICB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCC4)cc3)C2=O)cc1C 59104852 XNPOHOYZTGZBJV-ZHZULCJRSA-N 389.455 4.410 10 40 GICB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(N(C)C)cc2)S1 408800441 PNDIXLHEDNQVFO-UHFFFAOYSA-N 388.900 4.178 10 40 GICB CCOC(=O)c1ccc(N/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 618255031 NNKATEXDJZMLIJ-ATVHPVEESA-N 398.509 4.490 10 40 GICB O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H]1CCCN2CCCC[C@H]12 604406363 RJOXFTKRUPTEJW-HTAPYJJXSA-N 398.506 4.477 10 40 GICB biogenic CCCCC(=O)N[C@@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O 4817566 VVRFQSOMYLFRRY-NRFANRHFSA-N 394.471 4.353 10 40 GICB biogenic CCN(CC)/N=N/c1ccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4831828 GXMKFXXGNSKOFT-XTQSDGFTSA-N 390.553 4.274 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc4ccccc4n3)SC2=S)c1 54360830 AWFPYCSGLJVKLW-BOPFTXTBSA-N 392.461 4.339 10 40 GICB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccc(O)c(O)c1 44867303 JGNKJEGONKDNLK-UHFFFAOYSA-N 396.346 4.142 10 40 GICB CC(=O)Nc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 3446541 YIUZTBIFFAOYCV-UHFFFAOYSA-N 380.419 4.453 10 40 GICB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1cccc(F)c1 6993384 RXTWNSYUAVMERQ-UHFFFAOYSA-N 384.480 4.443 10 40 GICB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)CC2)cc1 217949078 QWVYEJVLTYPCPT-VGOFMYFVSA-N 378.516 4.355 10 40 GICB CCOC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1C 225424844 IJTWYLLQHGFAGO-UHFFFAOYSA-N 397.544 4.259 10 40 GICB Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260572678 QBMJTIIVBRKWFI-INIZCTEOSA-N 386.561 4.327 10 40 GICB O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 13634762 PJWMSJZDTARCKR-IIYDPXPESA-N 381.344 4.028 10 40 GICB COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/c2ccccc2)cc1 100913844 DBWCTMXAFPCPGF-RCCKNPSSSA-N 399.406 4.438 10 40 GICB COc1cccc(/C=C2\SC(=S)NC2=O)c1OCc1ccc(Cl)cc1 4689760 DCERXOSJJBFKKL-DHDCSXOGSA-N 391.901 4.416 10 40 GICB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260466194 HKHSFVLNYLIUKP-ROUUACIJSA-N 382.504 4.188 10 40 GICB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1281122 ZUCSWHRESOZPRO-GDNBJRDFSA-N 388.901 4.195 10 40 GICB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 17083555 HSCXIOBLWYERFL-VXJOIVPMSA-N 393.306 4.195 10 40 GICB O=C1NN(c2cccc(F)c2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 4470674 CETAPIOFSOFRTB-BOPFTXTBSA-N 382.778 4.201 10 40 GICB CCc1ccccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 4541606 MXZOOORTWBEJRJ-UHFFFAOYSA-N 376.456 4.452 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc1OC 13590080 HFVUEIKFKMSDJF-GZTJUZNOSA-N 387.482 4.118 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1 103917934 GOKTYPGRLBDDFY-JWGURIENSA-N 395.478 4.443 10 40 GICB O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 408912384 FNXYTMDONKGTJP-DEDYPNTBSA-N 386.382 4.159 10 40 GICB COc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 6205350 KDXBLWCBOSYVJS-UHFFFAOYSA-N 392.455 4.128 10 40 GICB C[C@@H]1CN([C@@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 21673427 AANABLUNKXOBFF-ARGWCVDVSA-N 383.879 4.187 10 40 GICB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)c1 33643031 IATDMPXUVFIOGA-HMAPJEAMSA-N 385.467 4.172 10 40 GICB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 218175119 PZWSEAOMNVNBQI-KRWDZBQOSA-N 382.504 4.431 10 40 GICB COc1ccc(/C=C/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1 1147712 WNYCYGDLSVIZMN-FKJKDRHESA-N 382.416 4.062 10 40 GICB CCCN1C(=O)/C(=C\c2c[nH]c3ccccc23)C(=O)N(c2ccccc2)C1=S 19814705 KKGFUXJMLVHHQR-QGOAFFKASA-N 389.480 4.122 10 40 GICB Cc1cc(C)cc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 28288098 YXLBTXRMROOUSP-UHFFFAOYSA-N 389.499 4.377 10 40 GICB COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2c(C)noc2C)cc1 7988646 SHTNVUOKDADEIJ-UHFFFAOYSA-N 379.460 4.213 10 40 GICB Cc1ccc(N2C(=O)/C(=C\c3ccccc3OCC(=O)O)SC2=S)cc1C 9233043 UDQWLEXXFYCKSQ-LICLKQGHSA-N 399.493 4.173 10 40 GICB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 222593206 UBXFJOUWZFLNCY-GKCIPKSASA-N 382.508 4.410 10 40 GICB Cc1cc(C)cc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)c1 1009697 LGAAVKRUSMGWII-BOPFTXTBSA-N 382.510 4.143 10 40 GICB CCOC(=O)c1sc2nc(C)c(C(C)=O)c(-c3ccc(OC)cc3)c2c1N 667769 WUXKACDSUFYGLQ-UHFFFAOYSA-N 384.457 4.242 10 40 GICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC(C)C)C2=O)c1 408800580 PWEDFFBKUYSRTC-GZTJUZNOSA-N 398.846 4.102 10 40 GICB CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)SC1=S 6792135 GMZHVZREECGRMG-GDNBJRDFSA-N 383.523 4.432 10 40 GICB COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(-c3csc(C)n3)c2C)c1 7763276 ISCYQACPSAHKBA-UHFFFAOYSA-N 384.457 4.099 10 40 GICB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1[N+](=O)[O-] 96193266 WLPOQFPMPUMDGB-AQTBWJFISA-N 378.432 4.247 10 40 GICB CCc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 12032582 HIKXXRMIYBENDB-WBILKINKSA-N 383.494 4.276 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C(C)=O)cc3)n2C)cc1 881682 XPNXUDNEQINEGA-UHFFFAOYSA-N 395.484 4.029 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 5551926 AFZQEFKGYBPTRR-YBEGLDIGSA-N 384.438 4.203 10 40 GICB Cc1cnc(C(=O)OCC(=O)c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cn1 6350466 XEXTXLUEWVHJGE-UHFFFAOYSA-N 391.471 4.356 10 40 GICB C/C(NCCc1ccc(O)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 9059880 BESSJBZHGBVXFS-NKFKGCMQSA-N 397.478 4.249 10 40 GICB COc1cc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cc(OC)c1OC 16666186 PFNFFNUHDSAQTP-GZTJUZNOSA-N 384.457 4.103 10 40 GICB COc1c(C)cnc(CNC(=O)c2cc(C)n(-c3ccccc3F)c2C)c1C 65164301 KALBPOQSBOMYHD-UHFFFAOYSA-N 381.451 4.184 10 40 GICB COc1ccc(N2CCN(C(=O)c3cccc4c(Cl)cccc34)CC2)cc1 95117365 MRRNLIAHFWRWJS-UHFFFAOYSA-N 380.875 4.464 10 40 GICB Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 3343101 YFZANLTVJVLQAE-MRXNPFEDSA-N 394.446 4.267 10 40 GICB O[C@@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccccc2)C2=[N+]1CCCS2 22404195 QOTBSKBRQYGKSK-GOSISDBHSA-N 380.320 4.164 10 40 GICB O=C(NCCc1ccc(O)c(O)c1)[C@H](Sc1ccccc1)c1ccccc1 3361297 PLJVVCVVLJRJAE-OAQYLSRUSA-N 379.481 4.290 10 40 GICB Cc1ccc(N2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 4719473 DRSFQSBWSMRAPN-QNGOZBTKSA-N 384.435 4.035 10 40 GICB CN(CCCN(C)/N=N/c1ccccc1C(=O)O)/N=N/c1ccccc1C(=O)O 1614668 LLWSHWXPHQQTEL-DQPVQCHKSA-N 398.423 4.034 10 40 GICB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 5482398 FXEAHQJTAKZOKF-STZFKDTASA-N 399.446 4.418 10 40 GICB CCN(CC)c1ccc(/C=C2/C(=N)N3N=C(CC(C)C)SC3=NC2=O)cc1 27549449 VCAJNHLZTVXLPL-MWSJVPHRSA-N 383.521 4.198 10 40 GICB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(N2CCCCCC2)cc1 8429328 IWDHZWBGQAKFRG-UKTHLTGXSA-N 392.499 4.468 10 40 GICB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccn2)c1C 222863886 POVMMFLIVMYNAZ-RTWAWAEBSA-N 391.544 4.267 10 40 GICB COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)cc1 974965 FHKYFIJYBKISJW-XNTDXEJSSA-N 389.885 4.390 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 1417252 INJOHHCAUJSBDY-GZTJUZNOSA-N 393.493 4.023 10 40 GICB COC(=O)CCCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 4070704 HONBNSTVAINMNJ-KAMYIIQDSA-N 383.922 4.275 10 40 GICB Nc1c(C(=O)O)sc2nc(-c3ccc([N+](=O)[O-])cc3)cc(C(F)(F)F)c12 8419204 QSIGGJNZIDPYGE-UHFFFAOYSA-N 383.307 4.171 10 40 GICB CCCN1C(=O)/C(=C\c2cc(C)n(CC)c2C)C(=O)N(c2ccccc2)C1=S 409024372 RHKQYINRQVVLDG-XMHGGMMESA-N 395.528 4.079 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c(OC)c1 971673 IKGQINYJMILHKA-LZYBPNLTSA-N 375.446 4.249 10 40 GICB Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 3659331 QDYVNQMOWGIYHB-KGENOOAVSA-N 393.462 4.217 10 40 GICB CCCOC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2285276 MVTGTNCDVFOEOG-KAMYIIQDSA-N 383.922 4.275 10 40 GICB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)cc1 6562999 MKKNDMVYHSNDSJ-ODLFYWEKSA-N 390.468 4.219 10 40 GICB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(F)cc1 8132761 BJTNSMLRZIUJCW-UHFFFAOYSA-N 393.462 4.322 10 40 GICB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C2=O)cc1 9477877 GPINXXXCYYBGLP-ATVHPVEESA-N 393.418 4.241 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 13769391 NXMINUAEMUGBGP-ATVHPVEESA-N 383.429 4.311 10 40 GICB COC(=O)C1=C(C)N(Cc2ccccc2)C(=O)/C1=C\c1ccc(SC)cc1 408788586 LJSKULAZKIXPTI-UYRXBGFRSA-N 379.481 4.281 10 40 GICB O=C1NN(c2ccccc2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 5616789 RFODPLNGTHYCKE-PXLXIMEGSA-N 393.446 4.151 10 40 GICB O=C1c2ccccc2N[C@@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1 7884138 CBFCZBDQAWCPNH-XMMPIXPASA-N 399.494 4.290 10 40 GICB Oc1c([C@H](c2ccc(Br)cc2)N2CCOCC2)ccc2cccnc12 21554799 SNCXLSBVBJAJHM-IBGZPJMESA-N 399.288 4.125 10 40 GICB CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cc(N)ccc23)cc1 4809430 CQFJFCMYVJHOHE-UHFFFAOYSA-N 378.457 4.085 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)C(C(=O)OC)=C2C)cc1 6962901 LOYXVQXVWBVFAT-UYRXBGFRSA-N 381.403 4.102 10 40 GICB COCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 9189371 PBDPOZAYOYBBRU-AQTBWJFISA-N 385.510 4.113 10 40 GICB Cc1ccc(S(=O)(=O)NNc2nc(-c3ccc(Cl)cc3)cs2)cc1 1415091 WGZZBVNQRZNIHV-UHFFFAOYSA-N 379.894 4.077 10 40 GICB CSC1=NC(C)(C)C[C@@]2(C[C@@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 5839982 MBCPPOKJQJROEC-BLVKFPJESA-N 390.530 4.261 10 40 GICB CCOC(=O)/C=C(\C)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1O 80325215 ZSOWRMFHMJYKAB-GUCAUAJOSA-N 380.444 4.019 10 40 GICB COc1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1Cl 225559607 YRYJETRIIIIYPU-UHFFFAOYSA-N 375.925 4.088 10 40 GICB CCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214208 CBNXJPFWPLPVTI-HXUWFJFHSA-N 397.906 4.401 10 40 GICB Oc1c([C@@H](c2ccc(Br)cc2)N2CCOCC2)ccc2cccnc12 21554801 SNCXLSBVBJAJHM-LJQANCHMSA-N 399.288 4.125 10 40 GICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(C(=O)OC)cc1 103918888 GBUDAXWZSXTDBR-HKWRFOASSA-N 377.444 4.362 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4)o3)C(=O)N=C2O)cc1 8769136 CJRCCKZZVXPQES-XMHGGMMESA-N 386.407 4.380 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)C(=O)N=C2S1 34807173 VWCVHCGDJOZJNW-UMDJYDDXSA-N 397.891 4.387 10 40 GICB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2ccc(F)c(F)c2)cc1 13991169 WJSGKYXSNSZZKN-UHFFFAOYSA-N 384.474 4.320 10 40 GICB C[C@@H]1[C@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C 5336110 GJEDYODRNPXMLU-OMZJYFQPSA-N 387.527 4.179 10 40 GICB CC1CCC(Oc2cc(CNC(=O)N(C)Cc3ccccc3O)ccn2)CC1 95959556 VADKSRGNIAHKAY-UHFFFAOYSA-N 383.492 4.086 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(OC)c1 409057145 IWCHZWPUJVKNOE-VBKFSLOCSA-N 383.831 4.226 10 40 GICB CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1 1269737 AVLBVROSKDFCEM-UHFFFAOYSA-N 389.864 4.005 10 40 GICB CCOc1ccccc1NC1=NC(=O)/C(=C\c2nc3ccccc3n2C)S1 5236009 ASBWOEVYRKWJBC-SFQUDFHCSA-N 378.457 4.054 10 40 GICB Cc1ccc2nc(N3CCCCC3)c(/C=C3\SC(=S)N(C)C3=O)cc2c1 20310803 MECQKOGAAZIEFH-ATVHPVEESA-N 383.542 4.365 10 40 GICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408765838 BNDPGPMMQPHZSE-NOEYKIMYSA-N 390.483 4.186 10 40 GICB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)c(F)c3)C2=O)cc1 409251361 PPONRPJSXHWXDA-XSFVSMFZSA-N 393.462 4.217 10 40 GICB CCCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)=O)cc3)N=C2C)cc1OC 4839112 QFWAAMQXZPMRIR-MOSHPQCFSA-N 392.455 4.493 10 40 GICB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4172126 MBTPSYGHODMTSU-LQWHRVPQSA-N 377.440 4.476 10 40 GICB CN(C)c1ccc(/C=C2/N=C(C34CC5CC(CC(C5)C3)C4)OC2=O)cc1[N+](=O)[O-] 6027092 JDYLROHRHAYALW-CAOOACKPSA-N 395.459 4.173 10 40 GICB Nc1ccc(C(=O)Nc2ccc(/N=N/c3ccc(S(=O)(=O)O)cc3)cc2)cc1 4523157 OCDSIKWPKIWLSG-GHVJWSGMSA-N 396.428 4.183 10 40 GICB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1ccc(Cl)cc1 4682041 VARKSSQRJHOOPG-ODLFYWEKSA-N 395.842 4.420 10 40 GICB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1 5372680 MKKNDMVYHSNDSJ-YBFXNURJSA-N 390.468 4.219 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(C(=O)O)c3)N=C2C)cc1 33436720 NBVRNTNHGHNDCU-YBEGLDIGSA-N 384.819 4.243 10 40 GICB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)ccc2-n2c(C)ccc2C)C1 60360663 NQXDEENPCTZKSY-FQEVSTJZSA-N 395.547 4.171 10 40 GICB C/C(Nc1cccnc1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920337 LAMBDLBUBWSEAJ-HKWRFOASSA-N 399.410 4.127 10 40 GICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 112120535 YXTDQSJDOFLMPX-PDGQHHTCSA-N 380.448 4.222 10 40 GICB C/C(NCCCOC(C)C)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112123662 QXTVUNVRLTZVIZ-FXBPSFAMSA-N 395.478 4.255 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)C1CN(Cc2ccc(Cl)cc2)C1 57776079 HEBUUHYTICIMHB-UHFFFAOYSA-N 397.950 4.079 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1O 113830395 ZMDDJTLZSWWMQC-OQLLNIDSSA-N 377.874 4.460 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(C)=C2C(=O)OC)cc1 408894625 RXICBQWVMTVAOT-UYRXBGFRSA-N 381.403 4.102 10 40 GICB Cc1ccc(/C=C2/C(=O)N(c3ccc(Br)cc3)C(=O)N=C2O)cc1 38203298 JGNIDYFCJBGYPR-XNTDXEJSSA-N 385.217 4.264 10 40 GICB C/C(NC(C)(C)C)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17077361 WGJKETDFWHZRAS-JXAWBTAJSA-N 378.432 4.008 10 40 GICB Cc1cccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 5552689 YXDZOBGGJBIPEP-YVLHZVERSA-N 393.493 4.023 10 40 GICB C[C@H]1C[C@H](C)CN(C2CCN(Cc3cc(Br)ccc3O)CC2)C1 2734634 YDICPMBHHWNYNB-GJZGRUSLSA-N 381.358 4.097 10 40 GICB COCCCN1C(=O)/C(=C\Nc2ccc(Cl)cc2Cl)SC1=S 13569767 DSPXDVQBJKCTGQ-XYOKQWHBSA-N 377.318 4.144 10 40 GICB O=C(CN1CCCc2cc(OC(F)(F)F)ccc21)Nc1cccnc1Cl 29923363 NUEHJDKSIPCFSB-UHFFFAOYSA-N 385.773 4.025 10 40 GICB COc1ccc(NC2=NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)c(OC)c1 38180522 GIEMHJJSKSEOLV-NVMNQCDNSA-N 379.441 4.268 10 40 GICB O=C(C[C@H]1OCCc2ccsc21)Nc1c(-c2ccccn2)nc2ccccn12 95409199 XFTOQSJIWUSNRF-MRXNPFEDSA-N 390.468 4.100 10 40 GICB Cc1cc2oc(=O)c(C)c(C)c2c(O)c1CN(C)C[C@H]1CCCN2CCCC[C@@H]12 1565520166 NOTPYNFNJCRKTB-QUCCMNQESA-N 398.547 4.120 10 40 GICB biogenic CC(C)(C)NC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5669218 KRJYEIQXUHISDQ-SDNWHVSQSA-N 396.965 4.236 10 40 GICB CCn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 9013984 WZTNOMOTXLUTKH-LICLKQGHSA-N 393.830 4.185 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)SC1=S 12545778 ZXQBFZHOTRVJJA-CXUHLZMHSA-N 387.486 4.223 10 40 GICB CCCn1cc(/C=C2\C(=O)N=C(O)N(C3CCCCC3)C2=O)c2ccccc21 17252462 QVKNMWPYIDGZQK-QGOAFFKASA-N 379.460 4.050 10 40 GICB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 981281 HFCFVQUVNXJRIY-PWDRBQJJSA-N 398.484 4.082 10 40 GICB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1ccc(Cl)cc1 1243723 KYBDXMNHPOVONL-NTEUORMPSA-N 392.864 4.025 10 40 GICB Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1ccc(Br)cc1 8992203 GERDJXGAJHGETK-UHFFFAOYSA-N 388.261 4.298 10 40 GICB biogenic O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(N2CCCCC2)cc1 223828654 CONXKRFTRGZFCN-UHFFFAOYSA-N 378.516 4.251 10 40 GICB Cc1ccc(-c2ccc(C=C3C(=O)OC(C)(C(C)(C)C)OC3=O)o2)cc1[N+](=O)[O-] 1406867 AWGDBXKABMJNBG-UHFFFAOYSA-N 399.399 4.409 10 40 GICB CCCCCOc1ccc(/C=C2/SC(N3C[C@@H](C)O[C@H](C)C3)=NC2=O)cc1 2677970 YLGIAGJWGFCVSN-KIHYJURLSA-N 388.533 4.335 10 40 GICB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(N(C)C)cc1 4059291 PTWYLKQSAMSGMN-LJQANCHMSA-N 386.293 4.213 10 40 GICB COc1ccc(C(=O)N2N=C(c3cccs3)C[C@@H]2c2ccccc2O)cc1 4942347 XBNKTPIKADMMHV-GOSISDBHSA-N 378.453 4.454 10 40 GICB CCCCCOC(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5824980 HMVLMQXNPOMKEP-DTQAZKPQSA-N 377.531 4.320 10 40 GICB Cc1cc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ccccn2)ccc1N1CCCC1 12135164 WRHUIALKSKNVRO-OFFJZUQKSA-N 391.559 4.110 10 40 GICB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccccc1 15811863 IVMDJXJCCBPJIQ-OAHLLOKOSA-N 397.862 4.327 10 40 GICB C[C@H]1CCCN(c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)cc2)C1 223696545 MRWHATIHDUCHTM-HNNXBMFYSA-N 378.925 4.055 10 40 GICB COC(=O)CCCCCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 4860681 OXUIQLRFLIUHTR-SDNWHVSQSA-N 383.922 4.275 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(c4ccc(C)cc4)CC3)=NC2=O)cc1 5516443 SMALYSCWSGYDFI-PGMHBOJBSA-N 391.540 4.350 10 40 GICB CN(C)CCNC(=O)c1cccc2nc3c4ccccc4c4ccccc4c3nc12 5808525 ZWBMWGCHEXXUPK-UHFFFAOYSA-N 394.478 4.381 10 40 GICB Cc1cc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)ccc1Br 13881625 HOIOXOBHLUHDFC-NVNXTCNLSA-N 391.290 4.489 10 40 GICB O=C1N=C(S)N(CCC2=CCCCC2)C(=O)/C1=C/Nc1ccc2c(c1)CCC2 103120976 LCYAPRPPEZIRMH-XMHGGMMESA-N 395.528 4.016 10 40 GICB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(N2CCCC2)c(C)c1 107846013 NECQUCAHBZKBRS-LJQANCHMSA-N 383.517 4.363 10 40 GICB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218175292 TZOFTBAJPOCNAW-SJORKVTESA-N 382.504 4.431 10 40 GICB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)NCc1ccco1 924751 HNYPLYUJLSFKRD-UHFFFAOYSA-N 393.468 4.193 10 40 GICB CN1C(=O)/C(=C/c2cc(Cc3ccccc3Cl)ccc2O)SC1=S 5577217 YECBEAARYAIMGJ-YBEGLDIGSA-N 375.902 4.467 10 40 GICB Cn1c(-c2ccccc2)cnc1SC[C@H]1CN(Cc2ccccc2)CCO1 12771546 UHPXRVVENISKNH-HXUWFJFHSA-N 379.529 4.080 10 40 GICB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13670773 ABBZSTDLDOCQHD-MDWZMJQESA-N 378.516 4.150 10 40 GICB CC(=O)N1CCc2cc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)ccc21 22642602 RPTDFKVMJQAUSD-UHFFFAOYSA-N 391.446 4.395 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 35040886 VOECKXGIWQJNSN-LDADJPATSA-N 382.510 4.361 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)c1 51330829 FMXSYZLCURVCPP-YVLHZVERSA-N 392.461 4.339 10 40 GICB CCOC1=NN(c2ccccc2)C(=O)/C1=C\NCc1ccc(Cl)cc1Cl 100249976 OKUYKGPYFAXZKB-VBKFSLOCSA-N 390.270 4.364 10 40 GICB COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 100484771 IFNGGZGCIVIIGT-WJDWOHSUSA-N 378.457 4.332 10 40 GICB CCOc1ccc(-n2cccc2/C=C2/C(=N)N3C(C)=CSC3=NC2=O)cc1 102446408 PKHWVSSUSXTLSZ-WAHGPNOUSA-N 378.457 4.043 10 40 GICB COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4172136 HLPFWSVVQWOJLB-SIFCLUCFSA-N 382.416 4.447 10 40 GICB CCN(CC)c1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)cc1 24187516 VQUCNMUYSCQBJP-UHFFFAOYSA-N 388.895 4.230 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCC1 409006952 LONBUMBPLOAPDR-RGEXLXHISA-N 376.416 4.001 10 40 GICB CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)N1 408991210 PRKNHGDRKOAORZ-LJQANCHMSA-N 380.517 4.029 10 40 GICB COc1ccc2c(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c[nH]c2c1 51330766 KKKKRWVKEYPHEE-IDUWFGFVSA-N 382.466 4.288 10 40 GICB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 103916306 YZMFOTQSQVXAQO-PDGQHHTCSA-N 384.823 4.035 10 40 GICB O=C(Cn1ncc2ccccc2c1=O)Nc1ccc(/N=N/c2ccccc2)cc1 8240640 AURRAIQGRBHSOB-OCEACIFDSA-N 383.411 4.451 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc(OC)c1 409342110 BYYROEHDRIMDII-PXNMLYILSA-N 375.446 4.249 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)O)cc3)N=C2c2ccccc2)cc1 408753682 HEYPHQGHBOSYGP-RCCKNPSSSA-N 398.418 4.228 10 40 GICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1Cc1ccccc1 409249801 OTGUXMLBJQDOFF-HYARGMPZSA-N 385.467 4.246 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O 5372075 YNXRIEVRXYUORE-ZDLGFXPLSA-N 399.493 4.399 10 40 GICB Cc1ccccc1NC(=O)CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S 16746052 PAPJCGIRHOMPJY-TYUKPDHWSA-N 394.521 4.391 10 40 GICB Cc1cc(N2C(=O)N=C(O)/C(=C\c3cccs3)C2=O)ccc1Br 59860451 PDHPKAJPNYWEGD-XYOKQWHBSA-N 391.246 4.326 10 40 GICB COc1cc(N/C(C)=C2\C(=O)N(c3ccccc3)N=C2C)c(OC)cc1Cl 100423103 MIGNMSDVBHTYBW-UNOMPAQXSA-N 385.851 4.466 10 40 GICB COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)c2c1 9419708 XECKXYUOMIDELU-IDUWFGFVSA-N 382.466 4.288 10 40 GICB CCCCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N=C1S 103100199 MIRFRYMDHWIWMO-LDADJPATSA-N 399.491 4.071 10 40 GICB CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)cc1 15502952 KWRIXLFHUQNKHU-KNQAVFIVSA-N 379.504 4.278 10 40 GICB Cc1cccc(NC(=O)CN2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)c1 16745596 NKKQRGDDOHOBAI-PDDUZAPNSA-N 394.521 4.391 10 40 GICB O=C1/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2O)SC(=S)N1c1ccccc1 408961531 MWZICWMENWLKFX-NTUHNPAUSA-N 392.845 4.360 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 409339051 RHPPJWCVRIEDCP-YBEGLDIGSA-N 386.454 4.318 10 40 GICB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1Br 408586756 PFYIGBPHXHOJDJ-GDNBJRDFSA-N 392.293 4.168 10 40 GICB CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/c2ccccc2Cl)SC1=S 2285187 KRJYEIQXUHISDQ-KAMYIIQDSA-N 396.965 4.236 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C(=O)OC)cc3)SC2=S)cc1 5959342 VYKWITRGFQETQR-SFQUDFHCSA-N 399.493 4.278 10 40 GICB Cc1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1Cl 13476822 YRRBDOXBPWQOLM-AUWJEWJLSA-N 393.873 4.194 10 40 GICB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 5127903 YATIFOHNIMBMCI-WJDWOHSUSA-N 385.470 4.067 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 5373377 IWEHWFZYUQDNHV-SXGWCWSVSA-N 385.466 4.108 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C)c2C)cc1 8025374 DFADLOKCBPOEPW-UHFFFAOYSA-N 396.516 4.084 10 40 GICB Cc1c(O)c(CNC2CC(C)(C)NC(C)(C)C2)cc2c3c(c(=O)oc12)CCCC3 8739105 FHXFITSWCPTFAO-UHFFFAOYSA-N 398.547 4.085 10 40 GICB CCN1C(=O)/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)SC1=S 33747546 BFCUCAXKVNZMRB-QDEBKDIKSA-N 386.281 4.321 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)cc1O 35648817 JCCCMMZGJQSUKG-WLTDFXCXSA-N 383.450 4.052 10 40 GICB CN1CCCc2cc(/C=C3\SC(=S)N(c4cccc(O)c4)C3=O)ccc21 54360861 AJQKAJQJMNMIAA-WQRHYEAKSA-N 382.510 4.180 10 40 GICB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(N2CCOCC2)cc1 225353848 FRWBFWCZLKEWBE-UHFFFAOYSA-N 393.314 4.079 10 40 GICB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(N2CCSCC2)cc1 54035674 KMKSSWWMZCWQAF-UHFFFAOYSA-N 393.512 4.133 10 40 GICB CN(C)c1ccc(-c2nc3ccccc3n2C(=O)c2ccccc2C(=O)O)cc1 2311264 WCGJEVQCGKKUCD-UHFFFAOYSA-N 385.423 4.156 10 40 GICB O=C(O)c1ccc(N2C(=O)N=C(O)/C(=C/c3cccc4ccccc34)C2=O)cc1 17028731 ALGCHAJBAVNCKT-PDGQHHTCSA-N 386.363 4.045 10 40 GICB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc(Br)cc1 4379943 BDWFJXAVKKJIKS-UHFFFAOYSA-N 399.273 4.244 10 40 GICB COc1ccc(/C=C2/SC(=S)N(C(=O)c3ccccc3Cl)C2=O)cc1 408719781 RVZYLSBHYVYSMG-XNTDXEJSSA-N 389.885 4.390 10 40 GICB COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)c1 207350770 KPUZPGYNXHZXDU-WOJGMQOQSA-N 398.484 4.325 10 40 GICB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3)o2)SC1=S 10232881 PMYJYKNSGDLDRZ-KWZJRMENSA-N 387.482 4.319 10 40 GICB COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(SC)cc1 408893201 LATSUBIHMYWLHK-UYRXBGFRSA-N 395.480 4.294 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(Cl)cc2)c1O 95276475 AIMDRIGWYIBGNY-PDGQHHTCSA-N 392.846 4.346 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(Cl)cc2)C1)CCC3 12321060 LHAUFLMPFNUHLS-INIZCTEOSA-N 394.858 4.388 10 40 GICB Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4Cl)S3)CC2)c1 2389174 MTCYWOGSSLCTEY-RGEXLXHISA-N 397.931 4.441 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2Cl)c1C 409017454 WTILPPAWLLULBD-WJDWOHSUSA-N 384.863 4.050 10 40 GICB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 44910724 YKMXVPKBIZGXGJ-UHFFFAOYSA-N 388.515 4.160 10 40 GICB CCc1ccccc1-n1c(C)cc(/C=C2\C(=N)N3N=C(C)SC3=NC2=O)c1C 5487091 NWGQBMBAJRVSLN-CDLNYGKDSA-N 391.500 4.296 10 40 GICB COc1ccc(NC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c([N+](=O)[O-])c1 23393680 MQVWIEPETKJTGQ-UHFFFAOYSA-N 398.463 4.258 10 40 GICB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 54283997 NRDLLQJQIZLQQN-IBGZPJMESA-N 396.531 4.039 10 40 GICB COc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccccc2)cc1 408762160 JNCMKTVXGHZMND-RCCKNPSSSA-N 398.418 4.228 10 40 GICB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 1296089 GJVVUSQHWVZEJW-REZTVBANSA-N 380.450 4.302 10 40 GICB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1Cc1ccc2c(c1)OCO2 13711713 JOOMUBLUUDPGRR-DFBITEFZSA-N 381.478 4.373 10 40 GICB CN(C)c1ccc(/C=C2/SC(=S)N(CNc3cccc(F)c3)C2=O)cc1 3092199 XAJFFRJVCZYZDZ-LICLKQGHSA-N 387.505 4.163 10 40 GICB Cc1ccc(C)n1-c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 15231067 LSYDLTMRJLITLD-UHFFFAOYSA-N 381.344 4.130 10 40 GICB COc1ccc(/C=C2/SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)cc1 16692928 IVPWEOHNNCSLNQ-PCJMVEANSA-N 399.493 4.112 10 40 GICB CCc1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2CC(=O)OC)cc1 17080805 PJARUMTUBXOBRE-STZFKDTASA-N 395.434 4.040 10 40 GICB O=C1/C(=C\c2cnn(-c3ccc(Cl)cc3)c2)SC(=S)N1c1cccnc1 44024171 XMTAMCMDSLHRTF-LZYBPNLTSA-N 398.900 4.327 10 40 GICB COc1ccccc1/C=C1/SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O 27530334 SZWKCJRGFMHCJU-GZTJUZNOSA-N 384.482 4.059 10 40 GICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)Nc2ccccc2)C1=O 4536640 ZONHSYNIHVFIBC-PYEASBQRSA-N 394.521 4.473 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 16932849 ALHSAHZBQSWLPS-YVLHZVERSA-N 395.461 4.109 10 40 GICB CCOc1ccccc1N/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1C 112120583 HZQXPTBYBGDJFI-UYRXBGFRSA-N 380.404 4.102 10 40 GICB O=C(c1cccc([N+](=O)[O-])c1)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O 27834304 CAIURDQEOIMIME-FQEVSTJZSA-N 387.395 4.292 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1OC 35038978 ADOZOQIKVNGYSF-GZTJUZNOSA-N 399.493 4.312 10 40 GICB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)SC1=S 113834923 JBPOIWOEUXIYDI-LFIBNONCSA-N 387.482 4.344 10 40 GICB COc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c(Cl)c2Cl)cc1 851474 WNBLCJJHDTUIHY-UHFFFAOYSA-N 382.652 4.162 10 40 GICB Cc1ccc(N2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)cc1C 4718881 QLAIJYSQJCYCOK-HAHDFKILSA-N 398.462 4.344 10 40 GICB CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)c(C)c3)C2=O)cc1 5863153 HLNAOJCRKDKXEN-JWGURIENSA-N 391.515 4.391 10 40 GICB COc1ccc(N2CCN(Cn3c(-c4ccccc4)nsc3=S)CC2)cc1 58162853 OSDLRJYKOOHXNE-UHFFFAOYSA-N 398.557 4.129 10 40 GICB CCN(Cc1cc(Br)ccc1O)Cc1cc([N+](=O)[O-])ccc1OC 72305017 ZGVWDUSOCKXRPE-UHFFFAOYSA-N 395.253 4.094 10 40 GICB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc([N+](=O)[O-])c1 409337632 WKMCYLLKJPYNIO-AUWJEWJLSA-N 392.845 4.360 10 40 GICB CCOc1ccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)cc1 2123813 ZXAOPHQJOWRJCV-UHFFFAOYSA-N 377.440 4.427 10 40 GICB biogenic O=C1Nc2ccccc2/C1=C\c1cn(CC(=O)N2CCCCC2)c2ccccc12 3646640 UCGONRUNBQCPOU-XSFVSMFZSA-N 385.467 4.147 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4)CC3)=NC2=O)cc1 5373182 CSTFFACJSCSUKJ-SILNSSARSA-N 377.513 4.042 10 40 GICB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(OC)c2O)cc1 7883872 PCUGUOHFSQVUEP-NRFANRHFSA-N 376.412 4.181 10 40 GICB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3O)=NN12 10213945 OOAGJSCROSWCHQ-GOSISDBHSA-N 383.879 4.011 10 40 GICB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1C[C@H]1CCCO1 14153015 DJRCYTZVPLLSMA-MRXNPFEDSA-N 378.266 4.114 10 40 GICB O=C(NCc1ccc(N2CCCC2)cc1)c1cc(F)ccc1Br 28329986 GDZSACRFGLICEK-UHFFFAOYSA-N 377.257 4.118 10 40 GICB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 35040283 ZMKOJOMRXUXORQ-GZTJUZNOSA-N 397.477 4.082 10 40 GICB CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 4714282 FUAZUFQPYBCLPY-SSZFMOIBSA-N 393.530 4.020 10 40 GICB COc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260766108 JASAKRMAVDZIMO-GQWLDOHISA-N 394.544 4.280 10 40 GICB COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccc(C(=O)O)o3)ccc12 1183822 YEECIVDYYFANBD-UHFFFAOYSA-N 380.352 4.133 10 40 GICB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3F)C2=O)c2ccccc21 2391747 QBQJCOQXULYKGW-FOWTUZBSSA-N 391.402 4.061 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 4341267 ZBIUKUBIIUMXRL-NTEUORMPSA-N 375.858 4.444 10 40 GICB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1-c1ccc2c(c1)OCO2 7289631 ZRNZMQYLCHZWDM-UHFFFAOYSA-N 397.456 4.058 10 40 GICB Cc1cccc(OCCOc2ccccc2/C=C2\SC(=S)N(C)C2=O)c1 26681002 NABPPVBCFQKWOF-AQTBWJFISA-N 385.510 4.284 10 40 GICB COc1cc(/C=C2\SC(Nc3cccc(Cl)c3)=NC2=O)ccc1OCC#N 35331006 ZBDVCVKAWYQLMO-YVLHZVERSA-N 399.859 4.333 10 40 GICB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1 223658265 AQDIVGGXTHBFKF-UHFFFAOYSA-N 397.538 4.200 10 40 GICB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1ccc(F)cc1 9836091 OVXHGDLBBWIUEU-UHFFFAOYSA-N 384.480 4.214 10 40 GICB CCOc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@H]21 10215888 PQCBAEKHVSITLM-AUSIDOKSSA-N 387.439 4.428 10 40 GICB N=C1/C(=C\c2ccc(F)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 80348197 QUPDLUIRGZWNDE-WKWHHHHXSA-N 398.850 4.341 10 40 GICB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)c(F)c2)S1 260781620 UBXFJOUWZFLNCY-VOBQZIQPSA-N 382.508 4.410 10 40 GICB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3O)S2)cc1 408775499 TWDYMGQJLNACEL-VLOXRPPESA-N 397.544 4.400 10 40 GICB Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)c1C 409125776 FFAOMIDDSVNSAK-WOJGMQOQSA-N 395.528 4.134 10 40 GICB Cc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3F)c2C)c([N+](=O)[O-])n1 12533216 KVWLOXMJFGDTAA-UHFFFAOYSA-N 383.379 4.107 10 40 GICB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 17083552 HSCXIOBLWYERFL-GLEZIHRCSA-N 393.306 4.195 10 40 GICB CN(C)c1ccc([C@@H]2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1 2319827 ILMJNVJSBBGXFM-INIZCTEOSA-N 383.304 4.056 10 40 GICB Cc1cccc(N2C(=O)/C(=C/c3ccc(N4CCOCC4)cc3)SC2=S)c1 409350579 YBHJXGLSQCBBHV-RGEXLXHISA-N 396.537 4.237 10 40 GICB CC(C)CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35349259 XWHXIOWYEUXYLC-QHCPKHFHSA-N 379.548 4.014 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3ccccc3)N3CCCCC3)ccc21 9137934 QLINHHYOWIYLDX-QHCPKHFHSA-N 377.532 4.026 10 40 GICB CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3cccc(OC)c3)c(C)oc12 20412357 NRTQHOGXGZKIGR-UHFFFAOYSA-N 383.444 4.450 10 40 GICB biogenic CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)c(OCC)c3)S2)cc1 35647647 ZAISGWXJJJJGSC-LDADJPATSA-N 384.457 4.272 10 40 GICB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(Cc3ccccc3)=NN12 41108510 JOZVZABCFAQIJV-SRRKIXIOSA-N 380.860 4.202 10 40 GICB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)cc1 59336658 PCRPSSOFNUPNLN-XSFVSMFZSA-N 386.382 4.159 10 40 GICB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc(N2CCCCC2)cc1 10113171 JMWQWDZPOGHQCK-UHFFFAOYSA-N 399.494 4.107 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)CSc3ncnc4c3cnn4C)c2C)cc1 11495012 PESBRPVIEAOEML-UHFFFAOYSA-N 391.500 4.054 10 40 GICB O=C1/C(=C\c2cnc3ccccc3n2)SC(=S)N1CCc1ccccc1 13689104 QZTMODQFHJXKAL-LDADJPATSA-N 377.494 4.074 10 40 GICB Cc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)c(C)n1C 408771366 FXUQXXCVTBVLNN-UHFFFAOYSA-N 399.450 4.225 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cccc(Cl)c1Cl 10906972 CAHRKNLVQZEXGL-UHFFFAOYSA-N 379.287 4.102 10 40 GICB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)CC(C)C 20724193 BQPZAZHDTVBLEB-UHFFFAOYSA-N 392.503 4.440 10 40 GICB COc1ccc(Cl)c2c(=O)c3ccc4c(c3[nH]c12)C(=O)c1ccccc1C4=O 4973206 HFZJNDDQCAPETD-UHFFFAOYSA-N 389.794 4.119 10 40 GICB O=C1[C@@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCCC1 409149556 JRUUXURWSLTRPX-QGZVFWFLSA-N 377.531 4.157 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1OC 1300638 XNRYPVXRBVFMSC-OQLLNIDSSA-N 375.446 4.249 10 40 GICB Cc1ccccc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3487277 WICNGCIQQWEYHG-UHFFFAOYSA-N 391.423 4.171 10 40 GICB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(Cl)c(C(=O)O)c1 408818153 ZLQULHFHDRGLSP-CHHVJCJISA-N 390.848 4.112 10 40 GICB COc1ccccc1/C=C1/SC(=S)N(c2ccc(C)c(C(=O)O)c2)C1=O 35648410 KBBMTYYEWNXNSV-CXUHLZMHSA-N 385.466 4.108 10 40 GICB Cc1cccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)c1C 6132027 NNEZEVWEGLFOMK-OQLLNIDSSA-N 388.539 4.205 10 40 GICB CCCCN1C(=O)/C(=C/c2ccc3c(c2)CCN3CCCC)C(O)=NC1=S 2373523 ZTOWDRLYCRYRLD-SAPNQHFASA-N 385.533 4.116 10 40 GICB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)n1-c1ccccc1 2629306 WNRALGMZHRROSS-INIZCTEOSA-N 388.467 4.229 10 40 GICB CCN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3C)o2)SC1=S 409371565 XEPVMBHGOAYUMA-YBEGLDIGSA-N 387.482 4.263 10 40 GICB CCCOC(=O)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1809318 OONSXGXRLMJSLP-GHXNOFRVSA-N 390.313 4.148 10 40 GICB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@H]21 10215892 PQCBAEKHVSITLM-XXBNENTESA-N 387.439 4.428 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O 13615126 WCKDAASSQMXJGK-YBEGLDIGSA-N 375.446 4.336 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(F)cc1 14414966 BQEAJARKBPKCRB-HKWRFOASSA-N 379.431 4.131 10 40 GICB COc1ccc(N2CCN(Cc3csc(-c4cccc(OC)c4)n3)CC2)cc1 57548560 IXVDGGDIQWZAKB-UHFFFAOYSA-N 395.528 4.150 10 40 GICB Cc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)s1 69577287 NFWQOUBALLANOI-DRUFCSCSSA-N 384.545 4.344 10 40 GICB CCOC(=O)/C=C(\C)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1O 80325216 ZSOWRMFHMJYKAB-UPTIQUDWSA-N 380.444 4.019 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 9260612 NNFVNTKHCLQXMJ-CPNJWEJPSA-N 381.863 4.033 10 40 GICB Nc1c(N2CCCC2)cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O 5451772 XDJVXZQNOPVHPW-UHFFFAOYSA-N 397.478 4.257 10 40 GICB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(OCc2ccccc2)cc1 2210277 FJFDAHKKTFGAMT-UHFFFAOYSA-N 378.424 4.409 10 40 GICB CCOc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OC 409195144 PPPDHALDJVRKNL-GZTJUZNOSA-N 388.514 4.050 10 40 GICB COC(=O)c1ccc([C@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 4151430 WTGRLGCHWTUYKT-TXPKVOOTSA-N 380.400 4.217 10 40 GICB O=[N+]([O-])c1ccccc1-c1ccc(C(=S)N2CCN(c3ccccc3)CC2)o1 1303080 REQKHWLDPAUFFP-UHFFFAOYSA-N 393.468 4.353 10 40 GICB CCn1c(-c2ccccc2)cnc1SCC(=O)N1CCc2sccc2C1 36398263 HCOYQUNKZFDAQL-UHFFFAOYSA-N 383.542 4.309 10 40 GICB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 222593136 UBXFJOUWZFLNCY-UAOJZALGSA-N 382.508 4.410 10 40 GICB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 5374191 VCBXBURSGYHKAN-OYUORYAFSA-N 376.286 4.058 10 40 GICB CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 2196776 VWZWHMPGDFGIDE-SSZFMOIBSA-N 393.530 4.020 10 40 GICB COc1ccccc1/C=C1\SC(=S)N(c2ccc(NC(C)=O)cc2)C1=O 2702076 SZWKCJRGFMHCJU-BOPFTXTBSA-N 384.482 4.059 10 40 GICB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1cccc(F)c1 4704727 WFOIIIYLDMOAHZ-JAIQZWGSSA-N 389.455 4.004 10 40 GICB Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)c1C 4745478 XOROYRMSRGBAHU-LFIBNONCSA-N 386.498 4.126 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccc(Cl)cc1Cl 10906854 BIGSIYOLHSZZBH-UHFFFAOYSA-N 379.287 4.102 10 40 GICB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 83318706 WFFNCQNWRTURFO-UYRXBGFRSA-N 379.456 4.450 10 40 GICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(F)c3)c2C)C1=O 409247093 BSUBTHSICGVVBM-WOJGMQOQSA-N 388.464 4.306 10 40 GICB CCN(CC)CCOC(=O)c1ccc(/N=N/c2cc(NC(C)=O)ccc2O)cc1 4769352 MASHXKWLPWHOKQ-WCWDXBQESA-N 398.463 4.265 10 40 GICB Cc1nc(-c2cccs2)ccc1C(=O)N1CCOc2cc(N(C)C)ccc21 175426469 PSLMJKHRKZUKNB-UHFFFAOYSA-N 379.485 4.224 10 40 GICB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409130142 KLKJMRSIYWRCMO-LDADJPATSA-N 384.501 4.394 10 40 GICB CCOc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 408646529 PEZFITPBSDZFGB-UHFFFAOYSA-N 392.455 4.288 10 40 GICB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 408762017 JKGHYNRJBUSSLX-RCCKNPSSSA-N 398.418 4.013 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 222793126 OJCIRLSYHPQXBF-LEWJYISDSA-N 391.544 4.185 10 40 GICB O=C(c1ccccc1)c1ccccc1NC[C@H](O)COc1ccc(Cl)cc1 5582037 GSBTWGCMIVOHLM-SFHVURJKSA-N 381.859 4.423 10 40 GICB CCCCCOC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370829 LUGYEJQXEYOEKQ-NJAVVXAXSA-N 375.515 4.177 10 40 GICB COc1ccc2ncc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)cc2c1 3999970 CVLQDQPZKJLXDX-MYHFBWBUSA-N 399.494 4.271 10 40 GICB biogenic CC(=O)c1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 5235963 CQXVVGKEQUPWMP-YBEGLDIGSA-N 379.466 4.171 10 40 GICB COc1ccccc1-c1coc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c1=O 19682094 BJQXCHURLJCSBA-OAHLLOKOSA-N 379.456 4.406 10 40 GICB biogenic CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 222781924 APGOAGLBNPYBLT-LEWJYISDSA-N 376.529 4.482 10 40 GICB Cc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccn1 260769294 LJOOGVLKWLAFRE-GQWLDOHISA-N 389.528 4.473 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccc(O)c1 408984645 JJURKCXXYDUXMI-MOSHPQCFSA-N 377.440 4.393 10 40 GICB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 44902701 QGQPMRINOMQZPX-QFIPXVFZSA-N 382.504 4.159 10 40 GICB CCc1nc(C)c2c(C)c(C(=O)NCc3ccc(N(C)C)c(F)c3)sc2n1 58972185 KZFGKLGYQHGQKL-UHFFFAOYSA-N 386.496 4.006 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC)cc3)cc2)SC1=S 59254474 HRLZTQBQIOJZKM-ATVHPVEESA-N 399.493 4.136 10 40 GICB COc1ccc(-c2cc(=O)oc3c(CN4CCC[C@@H](C)C4)c(O)ccc23)cc1 2154505 KHHJEQHMCNCFIK-OAHLLOKOSA-N 379.456 4.406 10 40 GICB biogenic Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccccn1 409234680 XCTBQZOIPQKOLA-LDADJPATSA-N 392.846 4.240 10 40 GICB COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2O)ccc1OC(C)C 671163 VGVXLECRUBSDHQ-GZTJUZNOSA-N 394.427 4.298 10 40 GICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)cc1 1162512 AGXURPNNQHNVBA-NTEUORMPSA-N 389.238 4.222 10 40 GICB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)OCCO2)CO3 2118256 RLKVDKHRNABDLN-UHFFFAOYSA-N 393.439 4.182 10 40 GICB biogenic CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 4043599 JKGCBZXHNUIVLO-FOIQADDNSA-N 387.524 4.140 10 40 GICB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(N2CCCCC2)cc1 10113257 RBHXKGZTEKFQPQ-QFIPXVFZSA-N 382.504 4.159 10 40 GICB CCc1ccc(/C=C2/SC(=S)N(c3ccc(C(=O)O)c(O)c3)C2=O)cc1 35648398 NHHZGNMLBWGCSG-CXUHLZMHSA-N 385.466 4.059 10 40 GICB CCN1C(=O)/C(=C/C=C2/Sc3ccc(OC)cc3N2CC)SC1=S 100496799 SLLOGAPHLGLKIJ-DJJIWSAGSA-N 378.544 4.233 10 40 GICB COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225691488 MTHOQZGBCIXBPK-MRXNPFEDSA-N 397.544 4.196 10 40 GICB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(O)c(CNCc3ccc(CO)cc3)cc1OC2(C)C 257231407 GGOHCORYGHIVKB-OFSQETHSSA-N 397.515 4.202 10 40 GICB COc1ccc([C@@H]2Nc3c(OC)ccc(OC)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 408737485 SDABXDUPMHRWAT-CKNLXJGOSA-N 382.416 4.447 10 40 GICB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(c2ccccc2F)N1c1ccccc1 408757596 AOUBPEAYRZFXQO-XDHOZWIPSA-N 386.382 4.389 10 40 GICB CCOc1c(Cl)cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OC 408934437 AQIWHSBHEDETTD-MHWRWJLKSA-N 398.846 4.189 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1F 885192 BJVSXYHQEFCWTP-RGEXLXHISA-N 395.430 4.492 10 40 GICB CC1=CC2=NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=N)N2O1 20236534 SDSNJQXPATXEPC-OTHHCBNDSA-N 380.835 4.198 10 40 GICB COc1cccc([C@H]2CC(c3ccccc3)=NC3(CCN(C(C)C)CC3)N2)c1O 80324916 QBZWVDRUILKIBV-OAQYLSRUSA-N 393.531 4.125 10 40 GICB CCCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 96193347 RAZRPGAZLWJYSB-AQTBWJFISA-N 378.428 4.207 10 40 GICB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCCOCC 112122041 UJDJZWIATZGRBQ-JXAWBTAJSA-N 386.521 4.089 10 40 GICB COc1ccc([C@@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1OC 855804 JWVIJOBQVJZQBC-JOCHJYFZSA-N 379.456 4.424 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4sccc4c3=O)c2C)cc1 12610286 KZFWXQKHUYIEDW-UHFFFAOYSA-N 377.469 4.057 10 40 GICB CCCCCOC(=O)CCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5214253 FUAZUFQPYBCLPY-DTQAZKPQSA-N 393.530 4.020 10 40 GICB O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2[nH]c3ccccc3c2c1 408903044 OJNBBFOBUANEFE-LDADJPATSA-N 399.381 4.127 10 40 GICB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(N2CCCCC2)cc1 219559805 RAXWMXHNKNTFDV-FQEVSTJZSA-N 382.504 4.159 10 40 GICB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 222653183 HUAPCHRVPWJUFN-GOSISDBHSA-N 394.515 4.462 10 40 GICB CC(C)C1=NN2C(=N)/C(=C/c3cccn3-c3ccccc3Cl)C(=O)N=C2S1 13281054 ZSOUKUCCWSFREU-NCLMWPBWSA-N 397.891 4.406 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3OC)SC2=S)cc1 1476258 YBIDUQFDZRPZHO-YVLHZVERSA-N 387.482 4.118 10 40 GICB COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 4500215 UGEONMQIDVWXOC-UHFFFAOYSA-N 392.455 4.207 10 40 GICB Cc1nc(C)c(C(=O)OCC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)s1 4541362 SSCBMUFZYAZICD-UHFFFAOYSA-N 386.448 4.346 10 40 GICB CCCCCOc1ccc(/C=C2/SC(N3C[C@H](C)O[C@@H](C)C3)=NC2=O)cc1 5645843 YLGIAGJWGFCVSN-JSUXISIESA-N 388.533 4.335 10 40 GICB CSC1=NC(C)(C)C[C@]2(C[C@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 5840071 MBCPPOKJQJROEC-HXPMCKFVSA-N 390.530 4.261 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C\c1ccccc1OCc1cccnc1 44025601 IBCJROXWKSRFNO-UYRXBGFRSA-N 379.485 4.117 10 40 GICB C[C@@H]1CN(Cc2ccc(F)cc2)CCN1Cc1ccc(N2CCCC2)c(F)c1 57731507 FPQYCQFKWNKIPI-GOSISDBHSA-N 385.502 4.271 10 40 GICB COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 222370064 TUVWSTBUSUXFDH-TYILLQQXSA-N 380.400 4.217 10 40 GICB COc1ccc(N2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)cc1 224971100 DCRNOINUZNCWSK-UHFFFAOYSA-N 386.495 4.254 10 40 GICB CN(Cc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2cc(O)c(O)cc12 12851994 NLHZYSQSCKYCQT-UHFFFAOYSA-N 380.227 4.143 10 40 GICB COc1cccc(/C=C2/C=C(c3ccc(Br)cc3)OC2=O)c1OC 408723295 STOAQODDPOVEOK-UVTDQMKNSA-N 387.229 4.448 10 40 GICB S=C(NCCCN1CCc2ccccc21)Nc1cccc(Br)c1 225558903 AAGXCWIIERGNGJ-UHFFFAOYSA-N 390.350 4.188 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1OC 13602660 WITLRGDPMQYEJW-SXGWCWSVSA-N 375.446 4.249 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1 225690898 SFBBUGDGIVGEDV-MRXNPFEDSA-N 397.544 4.181 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 6952979 AZVZWAAPZJYULP-DOXZYTNZSA-N 380.400 4.217 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3C)n2C)cc1 7423539 ARRWRMXDSFAFIU-UHFFFAOYSA-N 381.501 4.443 10 40 GICB CC(C)N1C(=O)/C(=C\C=C\c2ccccc2)C(=O)N(CCc2ccccc2)C1=O 17118201 FEUGTVODDFSFRQ-DKDWZUBTSA-N 388.467 4.068 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 100423329 ZEUYORVGOJQAFA-QNGOZBTKSA-N 381.451 4.140 10 40 GICB CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 53914830 KAAVYSIXVJOEKB-UHFFFAOYSA-N 386.791 4.486 10 40 GICB CC1=CN2C(=N)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1 20037221 QKZIKYZSLBLLIP-KUOUREISSA-N 376.485 4.320 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC 13496684 YICBUPPRDRGLSL-ATVHPVEESA-N 386.498 4.322 10 40 GICB aggregator COc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 5738802 BKVJDXRLWJAQRT-TYILLQQXSA-N 397.387 4.347 10 40 GICB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c1 408868926 PZDALEKQQLCGPU-LICLKQGHSA-N 398.846 4.022 10 40 GICB CC(=O)NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)S1 32110002 LMBNQXWLQDOKHB-LICLKQGHSA-N 386.860 4.025 10 40 GICB Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2O)c(C)n1-c1cccc2ccccc12 2323102 VFFUTXBYQYXFGX-LDADJPATSA-N 389.480 4.344 10 40 GICB COc1cccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)c1 1301075 MLCHIKXBTIANEU-YBEGLDIGSA-N 387.482 4.118 10 40 GICB Cc1cc(C(=O)CSc2nnc(C(F)(F)F)n2C)c(C)n1-c1ccccc1 3443177 GNEPKZPDYRWYOM-UHFFFAOYSA-N 394.422 4.216 10 40 GICB COc1ccc([C@@H](C)[C@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 104159727 NZFYZLLMZQSARH-BVGQSLNGSA-N 380.404 4.198 10 40 GICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 222739006 RUYWECJVFXGJLP-PMACEKPBSA-N 380.492 4.231 10 40 GICB CC(C)c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1 1412521 WWJILNRKFUFMRT-XNTDXEJSSA-N 388.539 4.418 10 40 GICB Cc1ccc(/C=C2\SC(=S)N([C@H](CC(=O)O)c3ccccc3)C2=O)cc1 31772079 ZUPQHVGHXZCCRM-FEEIMYBTSA-N 383.494 4.412 10 40 GICB COc1ccc(O)c(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)c1 36740499 YUDJSMZPPRXESN-UHFFFAOYSA-N 383.536 4.107 10 40 GICB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)cc1 224366158 JTDILSFMFAZWEA-SFHVURJKSA-N 380.532 4.495 10 40 GICB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O 408898020 KNXZQGHVJFQSTB-VLURKWGBSA-N 398.846 4.184 10 40 GICB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(N3CCCC3)cc2)SC1=S 409204913 DGMNWKQRMIKICP-QGOAFFKASA-N 383.542 4.243 10 40 GICB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)C(=O)N=C2S1 20037245 QQQKXIIFNGTDJW-PSVHDLGESA-N 380.448 4.400 10 40 GICB CN(CCNC(=S)Nc1ccc(Br)cc1F)c1ccccc1 225571333 WTNFPLHRURSROD-UHFFFAOYSA-N 382.302 4.011 10 40 GICB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1 882751 GXRCRWHOJBKTEG-UHFFFAOYSA-N 378.413 4.122 10 40 GICB aggregator O=C1NN(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 954512 UXHWRLDRMVQTIP-SFQUDFHCSA-N 398.340 4.427 10 40 GICB O=C1NC(=S)S/C1=C/c1cn(CCOc2ccccc2)c2ccccc12 1251095 QFAQZZLXKPSCKT-LDADJPATSA-N 380.494 4.209 10 40 GICB CCCn1cc(/C=C2\C(=O)N=C(O)N(c3cccc(C)c3)C2=O)c2ccccc21 2394185 KOSUVKFFDPDTGB-CPNJWEJPSA-N 387.439 4.231 10 40 GICB Cc1cc(C(=O)CSc2nccn2C)c(C)n1-c1ccc(OC(F)F)cc1 6314957 ZJKXXJQQRULXED-UHFFFAOYSA-N 391.443 4.404 10 40 GICB COc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(c4ccccc4)C3=O)c2C)cc1 13751461 MQURDZXAUBAZGN-STZFKDTASA-N 387.439 4.200 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1[N+](=O)[O-] 15008398 LOFHNBVDNHATGU-MHWRWJLKSA-N 386.454 4.318 10 40 GICB CN(Cc1cc(=O)oc2cc(O)c(O)cc12)C1c2ccccc2-c2ccccc21 95996074 NWOFEVFFURLTMG-UHFFFAOYSA-N 385.419 4.406 10 40 GICB COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=O)/C1=C/c1c(F)cccc1Cl 408892311 HZKZWYJYRQRYJA-XNTDXEJSSA-N 389.785 4.495 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(O)cc1 408892851 KDGPXIRHBJPBFW-MOSHPQCFSA-N 377.440 4.276 10 40 GICB O=C(O)CCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)SC1=S 10232899 ANWAOSUTNLYTRD-XNTDXEJSSA-N 391.445 4.152 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(c3ccc(CC)cc3)C(=O)N=C2O)cc1OC 33321314 FZAKHGBOHMKVJZ-ATVHPVEESA-N 394.427 4.163 10 40 GICB CC(C)C[C@@H]1CC(=O)Oc2cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc3c21 96116101 HMSGCODURXTTLR-GFCCVEGCSA-N 396.395 4.016 10 40 GICB biogenic CCc1ccc(/C=C2\C(=O)N(CCc3ccccc3)C(C)=C2C(=O)OC)cc1 409056862 OTVGFWWNQNBBLH-PGMHBOJBSA-N 375.468 4.164 10 40 GICB Cc1ccc(C(=O)C(=O)c2ccccc2I)c(Cl)c1 409199656 PXDZFXUISBLJDF-UHFFFAOYSA-N 384.600 4.319 10 40 GICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(C(C)C)c2C)C1=O 409243003 UEOWMEYJYRTFNJ-MHWRWJLKSA-N 399.878 4.314 10 40 GICB CCOc1ccc(NC2=NC(=O)/C(=C/c3cc(OC)c(OC)cc3C)S2)cc1 6207640 QRWAUVJPLDPVFE-UNOMPAQXSA-N 398.484 4.493 10 40 GICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@@H]21 409158103 WNDDRILSVNSXPO-VPZZIHKRSA-N 382.416 4.447 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1Cl 6348210 DTKRYSXQPHQZCP-WJDWOHSUSA-N 398.802 4.125 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)cc1 35041461 OHEQNBJWCXRYQN-RQZCQDPDSA-N 383.450 4.024 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1O 13686145 KJMOIFNDRGRHGU-YBEGLDIGSA-N 375.446 4.336 10 40 GICB CN(C)Cc1c(O)ccc2c(=O)c(Oc3ccccc3Br)coc12 20357682 KKHVLRNNVOFIQV-UHFFFAOYSA-N 390.233 4.115 10 40 GICB CN1C(=O)/C(=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)SC1=S 409350519 XXUFWTFFQLKOLH-NTUHNPAUSA-N 379.846 4.129 10 40 GICB CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C\c2cccs2)SC1=S 5376026 PLQISDXXCMTSGX-UESPBHMZSA-N 394.587 4.131 10 40 GICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Br)cn1 12462210 KIZFLXMZTGKJFW-MHWRWJLKSA-N 385.265 4.179 10 40 GICB COc1ccc(C[C@H]2SC(=S)N(CCC3CCCC3)C2=O)cc1OC 8164830 JERNQSRYJIDFIW-QGZVFWFLSA-N 379.547 4.056 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)S1 409024991 JMCQNCYVRDQCJV-YVLHZVERSA-N 386.860 4.025 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccc(O)c1 409016858 KIIAXYSKNPLOEI-YVLHZVERSA-N 383.831 4.231 10 40 GICB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225671959 ACDMPTAJBJJZJQ-CVEARBPZSA-N 384.549 4.374 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 222786476 QCGNBJODABRYJH-NHCUHLMSSA-N 392.528 4.187 10 40 GICB C/C(NC1CCCC1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 17079626 OPVUAGZXKKJBEO-HKWRFOASSA-N 390.443 4.152 10 40 GICB Cc1ccccc1N1C[C@@](O)(c2ccc(Cl)cc2Cl)[N+]2=C1SCCC2 4086807 SKODYFYKOSKIRW-LJQANCHMSA-N 394.347 4.473 10 40 GICB CC(C)c1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(=O)NC2=S)cc1 4691343 XTYSZFPEPMOKIW-WOJGMQOQSA-N 389.480 4.123 10 40 GICB Cc1ccc(CN2C(=O)/C(=C\c3cc(C)n(-c4ccccn4)c3C)N=C2O)cc1 9015589 CLMPZQGQXVTLAW-DEDYPNTBSA-N 386.455 4.095 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)SC2=S)c1 35041464 DCRJQVIQOKAVDA-CAOOACKPSA-N 383.450 4.024 10 40 GICB CN(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cn4cccnc4n3)cc2)cc1 58425924 UMWYQXCARLXMSE-AWNIVKPZSA-N 383.455 4.114 10 40 GICB COc1cccc([C@@H]2CC(c3ccccc3)=NC3(CCN(C(C)C)CC3)N2)c1O 80324912 QBZWVDRUILKIBV-NRFANRHFSA-N 393.531 4.125 10 40 GICB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 217946712 HKHSFVLNYLIUKP-MSOLQXFVSA-N 382.504 4.188 10 40 GICB CCCN1C(=O)/C(=C/c2cc(Br)ccc2OCC)SC1=S 409330343 LGLMRCDFZWLZGC-LCYFTJDESA-N 386.336 4.459 10 40 GICB COc1ccc(N2CCN(C(=O)c3oc4cc(C)c(C)cc4c3C)CC2)cc1 703712 ZIHHAGPVAUDLQI-UHFFFAOYSA-N 378.472 4.329 10 40 GICB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1-c1ccc(F)cc1 6993320 MFEOIPQRZOXTHC-UHFFFAOYSA-N 384.480 4.443 10 40 GICB COc1cc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc(OC)c1OC 35647607 VMDVAGHHMUOOEW-WOJGMQOQSA-N 398.484 4.412 10 40 GICB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 224944189 QPIJLESVZYGQRM-GOSISDBHSA-N 378.516 4.249 10 40 GICB CCOC(=O)CCCCCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 4134832 VNQNXJRDCHEFSS-SSZFMOIBSA-N 393.530 4.020 10 40 GICB CCN(CC)Cc1c(O)ccc2cc(-c3cc(OC)ccc3OC)c(=O)oc12 4085305 COEPRKNZIXSUTE-UHFFFAOYSA-N 383.444 4.025 10 40 GICB biogenic COc1cc(OC)c(/C=C2/SC(=S)N(c3ccccc3)C2=O)c(OC)c1 408902757 RBHDGPCUMRJHID-GZTJUZNOSA-N 387.482 4.118 10 40 GICB O=C1N=C(O)/C(=C\c2cc(Cl)ccc2O)C(=O)N1c1ccc(Cl)cc1 83327255 FZMOGNKLGWGHDF-MDWZMJQESA-N 377.183 4.206 10 40 GICB CN1c2ccccc2S[C@@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@@H]21 48024944 CLJYTWXMEAQEJM-PZJWPPBQSA-N 388.492 4.148 10 40 GICB CNc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)s1 17980239 MCUKMNXUQFVLAO-UHFFFAOYSA-N 390.509 4.410 10 40 GICB O=C1C(=Cc2cccs2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 805296 JFLHZEZAJUDMCH-UHFFFAOYSA-N 390.489 4.496 10 40 GICB CCOc1cccc([C@H]2CC(c3ccc(C)cc3)=NC3(CCN(C)CC3)N2)c1O 65298319 VCDMXLZESSHXNU-OAQYLSRUSA-N 393.531 4.045 10 40 GICB biogenic Cc1ccc(N2NC(=O)/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1C 5518374 QLAIJYSQJCYCOK-HZHRSRAPSA-N 398.462 4.344 10 40 GICB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 409377032 FKUXOZIERMKEPF-GVMCEGKSSA-N 377.400 4.085 10 40 GICB CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2OC)SC1=S 5370717 CXCJEPCNURCKDM-SSZFMOIBSA-N 393.530 4.020 10 40 GICB Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9137949 GQPQTZPGNVOOTB-DEOSSOPVSA-N 391.559 4.334 10 40 GICB Cc1cc(-c2ccc(C=C3C(=O)OC4(CCCC4)OC3=O)o2)cc([N+](=O)[O-])c1C 58866155 IEXTXLTWRKIYBF-UHFFFAOYSA-N 397.383 4.225 10 40 GICB CCc1cc(=O)oc2c(CNC3CC(C)(C)NC(C)(C)C3)c(O)c(Cl)cc12 6759052 YVIGMCIGBWHHRR-UHFFFAOYSA-N 392.927 4.113 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1OC 1191987 YLFLOGBTYQPLNN-CPNJWEJPSA-N 399.537 4.456 10 40 GICB C=CCc1cc(/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)cc(OC)c1O 6906015 FSPJEWNDPOTYNH-GZTJUZNOSA-N 384.432 4.351 10 40 GICB CN(C)c1ccc([C@@H](CNC(=O)C(C)(C)C)N2CCc3ccccc3C2)cc1 35349270 VNSLFONONWXYIM-JOCHJYFZSA-N 379.548 4.014 10 40 GICB Cc1ccc(C2=C/C(=C\c3cc4c(cc3Br)OCO4)C(=O)O2)cc1 4812353 MQIUJGNGJJBJFP-MKMNVTDBSA-N 385.213 4.468 10 40 GICB COc1ccc2[nH]cc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)c2c1 36559513 XECKXYUOMIDELU-REZTVBANSA-N 382.466 4.288 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 4541618 IWWBIUCFHKUTLH-GOSISDBHSA-N 376.456 4.128 10 40 GICB CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 106693945 GATAWAITTQATFP-PDGQHHTCSA-N 398.484 4.375 10 40 GICB Cc1ccccc1/C=C1/C(=O)N(c2cccc(Br)c2)C(=O)N=C1O 59198314 QGVUKBCURAGEQG-OQLLNIDSSA-N 385.217 4.264 10 40 GICB CN(C)c1ccc(CN(C(=O)c2cc(=O)c3ccccc3o2)c2ccccn2)cc1 28288249 RCEGZGRHUWDPBY-UHFFFAOYSA-N 399.450 4.101 10 40 GICB Cc1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1 3442950 QKZFBWMBGZLHLX-UHFFFAOYSA-N 391.423 4.171 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 222793490 MYCDXOBMPNJDJD-WOJBJXKFSA-N 391.544 4.185 10 40 GICB COc1ccc(CN(C)c2ccc3c(c2)OCCO3)cc1Cc1c(C)noc1C 12148163 XTZGCDCIQDLKNC-UHFFFAOYSA-N 394.471 4.298 10 40 GICB CCN1C(=O)/C(=C\c2cc(Br)cc(Cl)c2O)SC1=S 4482043 DRSZQEHYVJQSCA-RUDMXATFSA-N 378.700 4.029 10 40 GICB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C\c3ccc(Cl)cc3)S2)CC1 4571231 GRMHSXZXCWEQQJ-XMHGGMMESA-N 397.931 4.441 10 40 GICB Cc1ccc(OCCOc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 4576260 JXOKDJZNWSVWHT-QGOAFFKASA-N 385.510 4.284 10 40 GICB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830542 CABGNPCAWMGBAI-CXUHLZMHSA-N 381.438 4.482 10 40 GICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 222818879 QAYQIEQAZBAKGW-NHCUHLMSSA-N 391.544 4.265 10 40 GICB Cc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 409339605 WXIYLPOYUVYWFE-XNTDXEJSSA-N 388.901 4.195 10 40 GICB O=C1c2ccccc2C(=O)c2c1oc1c3c(ccc21)OCN(Cc1ccco1)C3 54387969 CBBBJYYGLPEDQY-UHFFFAOYSA-N 385.375 4.153 10 40 GICB COc1cc(N2CCCC2)ccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 14009757 CZIGDJZOFKIGRF-WOJGMQOQSA-N 397.862 4.046 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@@H]3C=CC[C@@H]32)cc1 409167258 HRAHXOUTRNYOAV-WWMYMODYSA-N 377.440 4.395 10 40 GICB CC(=O)Oc1ccc(/C=C2\C=C(c3ccc(Br)cc3)OC2=O)cc1 408744731 ZQAAEBHELYIFNG-XNTDXEJSSA-N 385.213 4.356 10 40 GICB C[C@@H](NC(=S)Nc1ccc(C(=O)N(C)C)cc1)c1ccc(N2CCCC2)cc1 225696796 VIFGQRACBIKTRL-MRXNPFEDSA-N 396.560 4.036 10 40 GICB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(C)n1-c1ccc(F)cc1 12954901 RMCODNJLLMSWPI-NDENLUEZSA-N 389.455 4.004 10 40 GICB COc1ccc(CN2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)cc1 16216651 NFWNAJQDMHTJAW-SXGWCWSVSA-N 391.901 4.456 10 40 GICB CCOc1ccccc1N1CCN(Cc2c(O)ccc3ccc(OC)cc23)CC1 23381736 XYCAWBRUGDKMMF-UHFFFAOYSA-N 392.499 4.275 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OCCOc3ccccc3)cc2)SC1=S 4677319 CESZXPLBFFWZDW-JXAWBTAJSA-N 385.510 4.366 10 40 GICB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)cc1 13669692 FACYWIVUORREMH-UHFFFAOYSA-N 380.532 4.070 10 40 GICB CCOc1cc(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)ccc1O 1241510 AJHZIFWQIDYHAK-LQFYYXEQSA-N 391.452 4.095 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccccc1 103917921 GQFKGSZAPZUSRO-PGMHBOJBSA-N 392.459 4.204 10 40 GICB O=C1N=C(N2CCc3ccccc3C2)S/C1=C\c1ccc(Br)cc1 2391784 FWAQYRTUUOKPIS-BOPFTXTBSA-N 399.313 4.478 10 40 GICB Cc1cc(C(=O)CSc2nnc(CN3CCCC3)o2)c(C)n1-c1ccccc1 8024505 OFIQZEJKXJRUQI-UHFFFAOYSA-N 396.516 4.048 10 40 GICB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(N4CCCC4)cc3)S2)cc1 207290059 IOXQPXHWDYXMTJ-RGEXLXHISA-N 379.485 4.378 10 40 GICB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1OC 217879555 GMDPYWCAURWVNI-QGZVFWFLSA-N 382.504 4.431 10 40 GICB CC(=O)c1c(C)[nH]c(C(=O)CN2CCCc3cc(OC(F)F)ccc32)c1C 55026081 UPICAVWFIKVOQG-UHFFFAOYSA-N 376.403 4.071 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)NC2=S)cc1 107551317 JLBKIDNDZPOPPJ-XMHGGMMESA-N 392.524 4.378 10 40 GICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCc1ccc(OC)cc1 103917923 XXUGSZVNGXPQPP-XLNRJJMWSA-N 377.488 4.304 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ncccc2C)c1C 222793372 MYCDXOBMPNJDJD-UXHICEINSA-N 391.544 4.185 10 40 GICB C/C(=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F)N1CCCCC1 1408340 YTWQZZABALMBDN-SDNWHVSQSA-N 394.422 4.321 10 40 GICB CCc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4541613 NEVDQYNBDHCQQG-UHFFFAOYSA-N 376.456 4.452 10 40 GICB CCn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)c2ccccc21 34859714 AVAPORBFZMBDCR-BOPFTXTBSA-N 377.375 4.307 10 40 GICB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 103066580 UPTKEHOGEFCOTP-WHRDDLDESA-N 390.443 4.216 10 40 GICB OCC[n+]1c(-c2ccc(Br)cc2)csc1Nc1ccccc1 2446364 ZBQINZSYAQBEJC-UHFFFAOYSA-O 376.299 4.201 10 40 GICB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)c(C(=O)O)c2)N=C1C 5466812 YSIYNSKEFSLEMX-GDNBJRDFSA-N 384.819 4.243 10 40 GICB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(O)c(O)c1 10015036 COAZTYMJWRKBQC-UHFFFAOYSA-N 399.472 4.430 10 40 GICB CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccc(OC)cc3)c(C)oc12 20358375 KYCKSGJSQLDSLA-UHFFFAOYSA-N 383.444 4.450 10 40 GICB biogenic CCOc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 35648448 BZXUDGHTSAEIFR-LICLKQGHSA-N 399.493 4.498 10 40 GICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 59435781 SAIRTVUUJKMDRT-UNOMPAQXSA-N 397.858 4.221 10 40 GICB COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)cc1Cl 97287254 BOFILBJSYKHQSL-UHFFFAOYSA-N 380.878 4.273 10 40 GICB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(N2CCCC2)c(C)c1 107846018 NECQUCAHBZKBRS-IBGZPJMESA-N 383.517 4.363 10 40 GICB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 408996918 KLNINLRNUZOBFF-MOSHPQCFSA-N 390.483 4.252 10 40 GICB Cc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)c(C)n1-c1ccccc1 6266139 PIZZSRRDYOTBIV-UHFFFAOYSA-N 388.467 4.230 10 40 GICB Cc1cc(NS(=O)(=O)c2ccccc2)cc(-c2nc3ccccc3o2)c1O 8992961 OOHWJBAXKHVJPD-UHFFFAOYSA-N 380.425 4.310 10 40 GICB COc1cccc(N2C(=O)/C(=C/c3cccc4nccnc34)SC2=S)c1 13722588 HQILAPMUUAOFKE-YBEGLDIGSA-N 379.466 4.044 10 40 GICB COc1ccc(N(C)CN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)cc1 5319511 SNCQXEDEQITYFP-GZTJUZNOSA-N 388.876 4.479 10 40 GICB CCN1C(=O)/C(=C/c2ccc(-c3cc(C(=O)OC)ccc3C)o2)SC1=S 6654817 HCAZDLINLGBHQO-YBEGLDIGSA-N 387.482 4.263 10 40 GICB Cc1ccccc1N1C(=O)/C(=C\c2c(Cl)cccc2Cl)C(=O)NC1=S 5549147 LAVMQSXCEPUWDU-XFXZXTDPSA-N 391.279 4.133 10 40 GICB CC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(C)cc3)o2)SC1=S 10232880 PMYJYKNSGDLDRZ-FBKCMUNRSA-N 387.482 4.319 10 40 GICB COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4959470 TUVWSTBUSUXFDH-KSMMKXTCSA-N 380.400 4.217 10 40 GICB CC(C)OC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 20289848 KMXKMHJBMDZBCN-UHFFFAOYSA-N 381.501 4.002 10 40 GICB CCn1c2ccccc2c2cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)ccc21 32099528 JOSAMXACHMXXRZ-HKWRFOASSA-N 381.435 4.276 10 40 GICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 222739083 XPEBNOMWYCKQBR-WOJBJXKFSA-N 380.492 4.231 10 40 GICB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1ccccc1F 1105591 FUOASJJQZMPCGM-YBEGLDIGSA-N 383.425 4.338 10 40 GICB CN(C)Cc1c(O)ccc2occ(C(=O)c3ccc(Br)s3)c12 20506770 RSPRTCUDVKIVAM-UHFFFAOYSA-N 380.263 4.255 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC 35039073 UQXSKFMNHDFZRH-VCHYOVAHSA-N 399.493 4.312 10 40 GICB CC(C)CCc1ccc(S(=O)(=O)Nc2c(F)c(F)c(O)c(F)c2F)cc1 95426626 MZVNOXSZFOODRI-UHFFFAOYSA-N 391.386 4.338 10 40 GICB CCCn1c(SCC(=O)c2ccc(O)c(O)c2)nc2cc(Cl)ccc21 31711784 XOJSEVWOOXKOCL-UHFFFAOYSA-N 376.865 4.486 10 40 GICB O=C1NN(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 669308 CETAPIOFSOFRTB-GZTJUZNOSA-N 382.778 4.201 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)cc1 13689708 AFMMBNCXACPRFC-ZDLGFXPLSA-N 399.493 4.215 10 40 GICB O=C1/C(=C/c2ccc(O)c(Br)c2)SC(=S)N1Cc1ccco1 28964072 QNMPVQAFNHWEQE-QPEQYQDCSA-N 396.287 4.149 10 40 GICB O=C(NCc1c(O)ccc2c(=O)c(-c3ccc(F)cc3)coc12)c1ccccc1 32501409 CUJSWFXRYCQROA-UHFFFAOYSA-N 389.382 4.235 10 40 GICB biogenic O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc4ncccc4c3)SC2=S)cc1 54360790 OITIMUUXEOUGLE-BOPFTXTBSA-N 392.461 4.339 10 40 GICB Cc1cc2nc3s/c(=C/c4cc(C)n(-c5ccccc5)c4C)c(=O)n3c2cc1C 408740746 MEEFXPWMIZSLKU-LPYMAVHISA-N 399.519 4.481 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1OC 13943628 UDULDGSGCQMUME-ATVHPVEESA-N 383.831 4.226 10 40 GICB NC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c2ccccc21 20059445 MYGALHQCKLSAMD-KGENOOAVSA-N 393.446 4.346 10 40 GICB CCN(CC)c1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1 224202174 LAMWKKSSVBOSEM-OAQYLSRUSA-N 397.538 4.200 10 40 GICB CCN(CC)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)cc1 225815680 NLECYUYLAOMAGF-UHFFFAOYSA-N 380.410 4.247 10 40 GICB O=C1/C(=C\c2ccc(Cl)cc2)SC(=S)N1c1ccc2c(c1)OCO2 1417236 JRXCPZLUPHDMGC-VIZOYTHASA-N 375.858 4.475 10 40 GICB Cc1cccc(C)c1OC[C@H](O)CN(Cc1ccco1)Cc1ccccc1O 3394621 RGFCWQWKWVGKDB-HXUWFJFHSA-N 381.472 4.044 10 40 GICB Cc1sc2nc3n(c(=O)c2c1C)CC/C3=C/c1cnn(Cc2ccccc2)c1 8769148 PGYVEXKHKFKOAB-ZDLGFXPLSA-N 388.496 4.264 10 40 GICB CCn1c(-c2ccc(C)cc2)cnc1SCc1nnnn1-c1ccccc1 26676122 NKNQEJXDWAJGQQ-UHFFFAOYSA-N 376.489 4.146 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)Nc3ccccc3)N3CCCC3)ccc21 35597168 PTRZNBHDQFVYAY-QFIPXVFZSA-N 378.520 4.028 10 40 GICB O=C1/C(=C/c2ccc3c(c2)OCO3)SC(=S)N1c1ccc(Cl)cc1 2397060 UQAWSZFSAIJGNO-NVNXTCNLSA-N 375.858 4.475 10 40 GICB CCN(CC)c1ccc2c(c1)OC(=O)N[C@@]2(c1ccc(OC)cc1)C(F)(F)F 3164059 MZSLQGPWGPDIPI-LJQANCHMSA-N 394.393 4.449 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)c1 5372156 YYOYUEGHWORIHC-WQRHYEAKSA-N 382.510 4.361 10 40 GICB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(Br)cc1 6348243 DFFUUZXNUOARDF-WJDWOHSUSA-N 390.277 4.064 10 40 GICB Cn1cc(/C=C2\SC(=S)N(c3cccc(C(=O)O)c3)C2=O)c2ccccc21 13779238 AQIOIKMQRBUQNP-YVLHZVERSA-N 394.477 4.282 10 40 GICB CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C\NCCc1ccccc1 408535622 ZCUSMFUUEOGAJN-AQTBWJFISA-N 398.304 4.196 10 40 GICB Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288107 XQYRAXFKLCDSAT-UHFFFAOYSA-N 375.472 4.068 10 40 GICB CCN(CCCNC(=S)Nc1ccc(OC)cc1OC)c1ccc(C)cc1 225733179 DYPDMBRPAWWZFO-UHFFFAOYSA-N 387.549 4.215 10 40 GICB Cc1ccc(-n2c(C)cc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)c2C)cc1 409220920 HTKKCXPKFNRAII-HMAPJEAMSA-N 385.467 4.495 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(F)cc4)o3)C(=O)N=C2O)cc1 17113091 MHHBZCRYQHFAKS-LDADJPATSA-N 390.370 4.265 10 40 GICB COc1cc(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)c1O 408903210 VRJLCAPKQVIHLR-RIYZIHGNSA-N 377.874 4.460 10 40 GICB O=C(CSc1ncc(-c2ccccc2)n1C[C@H]1CCCO1)Nc1ccccc1 924842 RWWVJRRWMJUIFZ-LJQANCHMSA-N 393.512 4.460 10 40 GICB CC(=O)c1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4541630 YKQRJLXMMYOMTF-UHFFFAOYSA-N 390.439 4.092 10 40 GICB CN(CC(=O)N(C)Cc1ccc(N(C)C)cc1)Cc1cc(Cl)cc(Cl)c1 59387593 WCLBYQHUPWBASZ-UHFFFAOYSA-N 394.346 4.150 10 40 GICB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 408763995 VJFYGOAIRJVOMF-LTGZKZEYSA-N 382.419 4.308 10 40 GICB Cc1ccc(C)n1N1C(=O)/C(=C/c2c(C)n(C)c3ccccc23)SC1=S 409198278 BMGKIPYGDYGDAY-WQRHYEAKSA-N 381.526 4.442 10 40 GICB O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc2c(c1)OCO2 409341872 CPJORBCNDPPUDO-GIDUJCDVSA-N 391.857 4.180 10 40 GICB COc1ccc(C2(CC(=O)Nc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1 18173568 BBPLDQOODGHYRE-UHFFFAOYSA-N 399.446 4.349 10 40 GICB O=C(Cc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCSCC2)cc1 48369199 GQBJQBBXHMNWOB-UHFFFAOYSA-N 394.462 4.118 10 40 GICB Cc1nc(NC(=O)[C@H](C)N2CCCc3cc(OC(F)F)ccc32)sc1C 89562572 IOGUWTONJMINBV-NSHDSACASA-N 381.448 4.141 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 248177470 AZVZWAAPZJYULP-VCBZYWHSSA-N 380.400 4.217 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccc(O)cc1 408896239 WXXNGJCRBYIEAC-ZHZULCJRSA-N 393.439 4.058 10 40 GICB COCCCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 409235828 CDWRSSSXJJKOMC-UYRXBGFRSA-N 384.501 4.475 10 40 GICB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccncc1 983159 DYJVNQHKSLTAAI-XDHOZWIPSA-N 392.846 4.240 10 40 GICB CCN(CC)c1ccc(/C=C2/N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 3205355 WHFIXVXKMWPXMV-QGOAFFKASA-N 386.398 4.479 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1 5689814 OPWRBAMCCCFWKE-UHFFFAOYSA-N 375.472 4.183 10 40 GICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(C)cc12 17079643 CULMWTVSYJBVFD-JCMHNJIXSA-N 390.462 4.444 10 40 GICB CCCOC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 20289849 GHMKZZMBDQABRV-UHFFFAOYSA-N 381.501 4.004 10 40 GICB Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 408708801 SYQAYKLJILPLLZ-HXUWFJFHSA-N 387.483 4.081 10 40 GICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 408995873 BTBURUAZXDQZTD-CPOQMQJTSA-N 377.440 4.129 10 40 GICB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc(Br)c2)SC1=S 409207037 ZGPKGGHYGDCLRV-NTEUORMPSA-N 393.331 4.405 10 40 GICB CCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S 5825166 HBUHGDOJHLNLBB-DTQAZKPQSA-N 377.531 4.320 10 40 GICB COc1ccc(N2N=C(C)/C(=C(\C)NCCSc3ccc(C)cc3)C2=O)cc1 17080904 BTCRLZFIFKZZHP-PGMHBOJBSA-N 395.528 4.382 10 40 GICB COc1ccccc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 40074771 AJSNRZBEXDMHNP-UHFFFAOYSA-N 378.428 4.126 10 40 GICB O=S(=O)(Nc1ccc(O)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95950213 UZWAZKUCPCNWLE-UHFFFAOYSA-N 385.285 4.231 10 40 GICB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@H]2C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 409377034 FKUXOZIERMKEPF-OAQWGNHMSA-N 377.400 4.085 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1OC 5371443 RSBMDJTYQOSRPZ-YBEGLDIGSA-N 375.471 4.088 10 40 GICB Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)c(C(C)C)cc1O 5579180 IXZUDIOTDXFSSD-UHFFFAOYSA-N 384.295 4.387 10 40 GICB COc1ccc(C)cc1NC(=O)c1cc(C)n(-c2ccc3c(c2)OCCO3)c1C 40074790 AFDJQJAPIKUIDO-UHFFFAOYSA-N 392.455 4.435 10 40 GICB O=C(c1cccnc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1O 4614080 YLWVSTCJWSLRLA-LJQANCHMSA-N 377.831 4.432 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=O)/C1=C\c1ccccc1 6272765 QATAZRZHKVCHRZ-BOPFTXTBSA-N 398.256 4.326 10 40 GICB C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)SC1=S 8054552 QNXSBMXXJANNET-NVMNQCDNSA-N 398.509 4.210 10 40 GICB C[C@@H]1CN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)C[C@@H](C)O1 13060363 AANABLUNKXOBFF-JZKQVHKSSA-N 383.879 4.187 10 40 GICB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(C)c(C)c1 112123566 DXXWGOWJNCCMJN-QNGOZBTKSA-N 395.434 4.094 10 40 GICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(OC)cc1 409056938 FKTMWDQEWHCQNW-HKWRFOASSA-N 381.472 4.258 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COc3ncnc4sccc34)c2C)cc1 3503710 SLJYTTKKVWUVAS-UHFFFAOYSA-N 393.468 4.369 10 40 GICB CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 13549081 LFKAEDWEIQIAOF-WQRHYEAKSA-N 398.260 4.370 10 40 GICB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccc(Cl)cc1 16669831 ZHFRUUBEFOMWQY-GSPDUGTFSA-N 390.873 4.035 10 40 GICB CCOc1c(Cl)cc(/C=C2\SC(NC3CCCC3)=NC2=O)cc1OC 32812217 FXJRPAYYBRTHLP-GDNBJRDFSA-N 380.897 4.250 10 40 GICB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(N(C)C)cc2)cc1OC 32904680 DCANUIDNSRCOLJ-PCLFDXGNSA-N 380.488 4.147 10 40 GICB Cc1ccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222737699 FIBUKRWRQGBSAQ-SFTDATJTSA-N 376.529 4.400 10 40 GICB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccccc1Br 408998135 SZSRGMXQBYLGBA-ZSOIEALJSA-N 393.331 4.345 10 40 GICB COC(=O)c1[nH]c2ccc(C)cc2c1/N=N/N1CCN(c2ccccc2)CC1 2283250 QTBFDZYGEFAIRY-WCWDXBQESA-N 377.448 4.084 10 40 GICB CC[C@H](C)[C@H](NCc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O)C(=O)O 4540333 IJFCFMROTGGCBB-ZSEKCTLFSA-N 395.455 4.063 10 40 GICB COc1ccc(N2CCN(CC[C@H](O)c3ccc4ccccc4c3)CC2)cc1 6296239 YLTRVLLAUCLYTN-DEOSSOPVSA-N 376.500 4.094 10 40 GICB CN(C)c1ccc(CN(CCCn2ccnc2)Cc2c(F)cccc2F)cc1 13991172 QRQSLWBJBICYOE-UHFFFAOYSA-N 384.474 4.320 10 40 GICB Cc1ccc(N2C(=O)/C(=C\c3cc(C)n(C(C)C)c3C)C(=O)NC2=S)c(C)c1 15013425 GDKBPYBIFJFDGM-WQRHYEAKSA-N 395.528 4.134 10 40 GICB O=C1c2cc(Br)sc2C(=O)c2cc(Br)sc21 88367179 SHUYYKQUFOHRKK-UHFFFAOYSA-N 378.066 4.110 10 40 GICB [N-]=[N+]=NCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1 102828812 FCZPDWIDFTZCQQ-MRXNPFEDSA-N 384.237 4.437 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1O 408892315 IAPCMURXECZLRE-UYRXBGFRSA-N 377.440 4.276 10 40 GICB CCc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)cc1 1768368 YGUGWXLWFQCVPF-DTQAZKPQSA-N 377.531 4.184 10 40 GICB Cc1cc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1 3505371 DKTGFIOEWBYVIO-UHFFFAOYSA-N 378.384 4.042 10 40 GICB Cn1cccc1/C=C1\SC(=S)N(c2cccc(Br)c2)C1=O 13777023 LVLZNBUNBWIHTQ-LCYFTJDESA-N 379.304 4.193 10 40 GICB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1 3384632 HJRQXXYETXGPTB-UHFFFAOYSA-N 397.452 4.232 10 40 GICB CC(=O)Nc1ccc(/N=N/c2ccc(N)c3cc(S(=O)(=O)O)ccc23)cc1 4523155 VXEIJMQIXOIRFD-QURGRASLSA-N 384.417 4.043 10 40 GICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\C=C\c1ccccc1 5373143 LKONFMFMFZYCLB-WAYKPHQQSA-N 375.497 4.035 10 40 GICB CCc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 8085627 VWPLIYMMEXCSOY-UYRXBGFRSA-N 392.411 4.034 10 40 GICB CCn1cc(/C=C2\C(=O)N(CCc3ccccc3)C(=O)N=C2O)c2ccccc21 33332570 KWCAERVPGHTFJI-RGEXLXHISA-N 387.439 4.206 10 40 GICB O=C1/C(=C/c2cc3c(cc2Cl)OCO3)SC(=S)N1c1ccccc1 33692356 IGIJFELDKBVYJO-CHHVJCJISA-N 375.858 4.475 10 40 GICB COC(=O)C1=C(C)N(c2cccc(C(C)=O)c2)C(=O)/C1=C\c1cccc(C)c1 408583812 KNXUTDFCTOBVAE-NDENLUEZSA-N 375.424 4.075 10 40 GICB CCN(CC)c1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1 2298973 RCHMXZLEDSTEFJ-RFAWQRTRSA-N 375.516 4.170 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3cccc(C)c3)SC2=S)cc1OC 6860249 BRLKXDOKCLKJIE-CPNJWEJPSA-N 399.537 4.456 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc(C(=O)OC)c3[C@H]3C=CC[C@@H]32)cc1 6965753 HRAHXOUTRNYOAV-FIKGOQFSSA-N 377.440 4.395 10 40 GICB Cc1c([C@H]2[C@H](c3ccccn3)N=C3SCCN32)ccc(N2CCCC2)c1C 96184283 MHARJESMGJTFOU-SFTDATJTSA-N 378.545 4.499 10 40 GICB O=C1/C(=C\c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1ccccc1Cl 1301641 YHHJDNMMEYRZDO-LCYFTJDESA-N 381.844 4.493 10 40 GICB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1cccc(O)c1 2302643 YMDXVKZRKDTCNX-HKWRFOASSA-N 378.497 4.317 10 40 GICB CCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5738205 MVTGTNCDVFOEOG-SDNWHVSQSA-N 383.922 4.275 10 40 GICB COc1cccc(Oc2coc3c(CN4CCCCC4)c(O)ccc3c2=O)c1 20442504 HRCJEWAPAJLIRA-UHFFFAOYSA-N 381.428 4.285 10 40 GICB biogenic CC1=CC(C)(C)N2C(=O)/C(=C3/C(=O)N(c4ccccc4)N=C3C)c3cccc1c32 4731428 KCPSSJHIIOIFNB-FMQUCBEESA-N 383.451 4.405 10 40 GICB CCCCN(CCCC)S(=O)(=O)c1cccc2c1C(=O)c1ccccc1C2=O 5555425 NFEGUJJUFBTLGI-UHFFFAOYSA-N 399.512 4.053 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2O)o1 32099419 USUQHTSAQPSICH-PDGQHHTCSA-N 389.367 4.367 10 40 GICB CCOC(=O)/C(=C/c1ccc(N(CC)CC)cc1)NC(=O)c1ccc(C)cc1 5585339 BKEGJVPHIWFJJU-PGMHBOJBSA-N 380.488 4.175 10 40 GICB CCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(O)c2O)cc1 7884035 HBBWRAQAZSJRTF-OAQYLSRUSA-N 376.412 4.268 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3ccc(C(=O)OC)cc3)SC2=S)cc1 5371715 GLFRUDSRPTVRQW-ATVHPVEESA-N 383.494 4.441 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccc(F)cc1 17265356 YQZFRFIBNBWANJ-UYRXBGFRSA-N 381.403 4.102 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 41108122 VUSBOQJZYUPYNP-KUOUREISSA-N 391.500 4.350 10 40 GICB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cn1 260742313 VAKOSJLHQHKSLV-HOTGVXAUSA-N 384.549 4.374 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1O 5373405 KUKLJTZKJNTJGO-AUWJEWJLSA-N 391.857 4.150 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccc(F)cc2F)C1)CCC3 12389979 GSXTUUIXHVGPRK-MRXNPFEDSA-N 396.393 4.013 10 40 GICB CCOC(=O)c1ccc(N/C(C)=C2\C(=O)N(c3ccc(F)cc3)N=C2C)cc1 112121209 QYSIJKFAMFNDPA-UYRXBGFRSA-N 381.407 4.111 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225598380 TYIATXWQLJPKLJ-NVXWUHKLSA-N 390.524 4.410 10 40 GICB CN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N(c2ccccc2)C1=O 408855108 DLLNQFSZBAERGS-QGOAFFKASA-N 390.370 4.094 10 40 GICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 409054418 JPUKPBISCZHGGO-RGEXLXHISA-N 396.443 4.158 10 40 GICB CCc1cc(=O)oc2c(CN(CC)C[C@@H]3CCCN4CCCC[C@H]34)c(O)ccc12 526052463 HMIVXETYJNJTAJ-GHTZIAJQSA-N 398.547 4.147 10 40 GICB COc1ccc(-c2cc3ccc(O)c(CN4CCC[C@@H](C)C4)c3oc2=O)cc1 1317658 SKJUBGSUKIYEJM-OAHLLOKOSA-N 379.456 4.406 10 40 GICB biogenic O=C(CN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccc1 1847295 UCMMZCUQCCIRNO-UVZCHINQSA-N 380.494 4.083 10 40 GICB COc1cc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)ccc1O 4690135 PZQYGJMSAJFZDR-AQTBWJFISA-N 385.510 4.235 10 40 GICB COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cc(C)cc(C)c1 17080803 WGEKXICQTMSAGV-QNGOZBTKSA-N 395.434 4.094 10 40 GICB CC(=O)Nc1ccc(NC(=O)NCc2ccc(N(C)C)cc2)c(C(F)(F)F)c1 43950485 IQHAXCDDBKOVAL-UHFFFAOYSA-N 394.397 4.052 10 40 GICB CCOc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@@H]21 227486592 DSUXZMFAJHEAQV-CVDCTZTESA-N 387.439 4.428 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)ccc1C 409342671 DUAVLDOUEMIIFM-SXGWCWSVSA-N 386.454 4.318 10 40 GICB COc1ccc(N(C)CCNC(=S)Nc2ccc(OC3CCCC3)cc2)cc1 225799156 FKHRVXOQGCGOPZ-UHFFFAOYSA-N 399.560 4.439 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(Cc2ccccc2)C1=O 5172489 WXVZGVACPGNSSF-YBEGLDIGSA-N 386.454 4.005 10 40 GICB CN1C(=O)/C(=C/c2ccc(C(=O)NC3CCCCCCC3)cc2)SC1=S 5374696 GKTNWWYXOWOGBA-LGMDPLHJSA-N 388.558 4.360 10 40 GICB COc1cccc(N2C(=O)/C(=C\c3cc(OC)ccc3OC)SC2=S)c1 6093721 INZAMVGPHVTDJD-LICLKQGHSA-N 387.482 4.118 10 40 GICB O=C1NC(=S)S/C1=C/c1ccc(OC(=O)c2ccccc2Cl)cc1 1517784 BZBSISQTOSFJIC-NTEUORMPSA-N 375.858 4.048 10 40 GICB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 3372988 ILKHGRIDFBOTDY-BDJLRTHQSA-N 377.387 4.077 10 40 GICB CN(CCO)c1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 7884775 NQFHIIULHKFWQW-QFIPXVFZSA-N 391.446 4.025 10 40 GICB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(O[C@@H](C)C(=O)O)cc3)S2)c1C 210836668 DPZZZNJODIIACT-DZBQEORWSA-N 396.468 4.238 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OC 408969991 YHBAHJQVPKAJKA-PTNGSMBKSA-N 390.361 4.442 10 40 GICB O=[N+]([O-])c1ccc([C@@H](Nc2ncccc2O)c2ccc3cccnc3c2O)cc1 49564994 XUWBUPJKQGWMNX-GOSISDBHSA-N 388.383 4.151 10 40 GICB CCN(CC)c1ccc(N/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1 103104700 YFRDTLCUPHRUGB-NBVRZTHBSA-N 392.459 4.260 10 40 GICB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1C[C@@H]1CCCO1 409089319 ILRYEAGOUPYVCY-TXEUWIOXSA-N 390.313 4.079 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 222786687 LDSYIASZJMLMMN-LEWJYISDSA-N 392.528 4.187 10 40 GICB COC(=O)c1ccc(/C=C2/C(=O)N(c3ccc(C(C)C)cc3)C(=O)N=C2O)cc1 1202738 FUQGESRRQDJLJH-LDADJPATSA-N 392.411 4.103 10 40 GICB CN1C(=O)/C(=C\c2ccc(C(=O)Nc3ccccc3Cl)cc2)SC1=S 5374779 VQTZUOQZUMMTIC-XNTDXEJSSA-N 388.901 4.423 10 40 GICB COc1ccc(N2CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)cc1 7642931 IEMHVYVOMLVMRE-UHFFFAOYSA-N 388.467 4.450 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 14414994 QSSRQEGNQJCPMC-PGMHBOJBSA-N 391.467 4.001 10 40 GICB Cc1nc(C)c(CCC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)c(=O)[nH]1 16469286 VCMISJIEGZPUDT-OCEACIFDSA-N 375.432 4.373 10 40 GICB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(F)cc1 28464696 OLWZPHZONPZLNG-GUSDSWBTSA-N 398.484 4.222 10 40 GICB COc1ccc(CCC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1OC 12554655 FUXIXVLOZOOTKC-UHFFFAOYSA-N 396.531 4.285 10 40 GICB Cc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 222597927 LJOOGVLKWLAFRE-RVHYNSKXSA-N 389.528 4.473 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)ccc1OC(C)=O 409340513 YIHSJNMNOQNZJC-WQRHYEAKSA-N 399.493 4.335 10 40 GICB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCN(c2ccccc2)CC1 2297511 QDNGWTMIOJOMTK-OCOZRVBESA-N 395.438 4.305 10 40 GICB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1CCc1ccc(O)cc1 54360635 IJBQUHZXMILLRJ-UNOMPAQXSA-N 395.505 4.155 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(OC)c1OC 56851183 FDFXZEHGNPDDOI-PTNGSMBKSA-N 387.482 4.118 10 40 GICB Cc1nn(C)c(C)c1[C@H]1CC(c2ccccc2O)=NN1c1ccc([N+](=O)[O-])cc1 71785173 DHOBJPDWPGIFJO-LJQANCHMSA-N 391.431 4.006 10 40 GICB CCN1C(=O)N/C(=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C1=O 409246410 IAVZOVQZIVVMIK-OVCLIPMQSA-N 378.259 4.314 10 40 GICB Cc1ccc(C2=N/C(=C/c3ccc(N4CCCC4)c([N+](=O)[O-])c3)C(=O)O2)cc1C 6267272 SZXUKNXVHQXUOP-LDADJPATSA-N 391.427 4.156 10 40 GICB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214192 ULNFPWOHXAXYSC-OAQYLSRUSA-N 377.488 4.138 10 40 GICB CCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214206 CBNXJPFWPLPVTI-FQEVSTJZSA-N 397.906 4.401 10 40 GICB COc1ccccc1/C=C1/SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O 35038906 SODWUPUPDPHUPO-MHWRWJLKSA-N 385.466 4.108 10 40 GICB CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1OCC 225064395 QNAILDQDHBKFBP-UHFFFAOYSA-N 382.504 4.404 10 40 GICB O=C(CSc1nc(-c2ccccc2)nc2c1CCCC2)c1ccc(O)c(O)c1 2459116 JRCZTNARRTVINS-UHFFFAOYSA-N 392.480 4.409 10 40 GICB Cc1cc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c(C)n1-c1ccccc1 4835388 HKXZUBAGQBSWRY-UHFFFAOYSA-N 384.382 4.168 10 40 GICB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1nnc(-c2ccccc2)s1 5504586 DQSJAGYOKSUYTG-SFQUDFHCSA-N 375.457 4.232 10 40 GICB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C 14009507 KBSXEGXABARWTB-MFOYZWKCSA-N 384.863 4.016 10 40 GICB Cc1cc(C)c2c(N)c(C(=O)OCc3nc4ccccc4nc3C)sc2n1 39494603 NQNLRZXEJPTUAZ-UHFFFAOYSA-N 378.457 4.104 10 40 GICB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@@H]21 227486620 BBPGRYHTHQBEIY-WMZHIEFXSA-N 387.439 4.428 10 40 GICB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260622222 RXUBOCRQFCAMKE-ROUUACIJSA-N 382.504 4.188 10 40 GICB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@@H]21 4172128 PHGUIQBXOQJKPJ-UWVAXJGDSA-N 377.440 4.476 10 40 GICB CC(C)n1nc(O)c2c(-c3ccc(O)c(O)c3)c3oc4cc(O)ccc4c3nc21 79474233 IBKYGINUPLQLCC-UHFFFAOYSA-N 391.383 4.401 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)NC2=S)cc1 409145610 QKPSJXOMJRQELA-UNOMPAQXSA-N 381.501 4.101 10 40 GICB CCN1C(=O)/C(=C/c2ccc(NC(=O)/C=C/c3ccco3)cc2)SC1=S 3171890 ZNJPYQOESWJLOE-KDNHCMJDSA-N 384.482 4.153 10 40 GICB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)cc1 4292051 AXTQBBDRNAYVKG-SFHVURJKSA-N 378.453 4.454 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 4341271 KXHHBMLBQZEPLN-ZROIWOOFSA-N 375.858 4.444 10 40 GICB O=C1/C(=C\c2ccc(Br)cc2)SC(=S)N1Cc1ccco1 13573606 FTKKOHZXGLOFCV-MDWZMJQESA-N 380.288 4.444 10 40 GICB CC(=O)c1cccc(NC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)c1 28272716 KTPABDSGKJNCIN-UHFFFAOYSA-N 390.439 4.320 10 40 GICB O=C1/C(=C\c2ccc(OC(F)F)cc2)SC(=S)N1Cc1cccnc1 33315485 JEBJEYXNKRTASK-RIYZIHGNSA-N 378.425 4.084 10 40 GICB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)c1 408869699 RDUSNLLXNKGJAY-LICLKQGHSA-N 398.846 4.022 10 40 GICB O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C/c1ccccc1 1471533 HPYIPXLKJBIKTL-NBVRZTHBSA-N 383.904 4.133 10 40 GICB CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=O)N(CC)C3=O)c2C)c1 4107020 ZPNXGOHIOSMEPM-PDGQHHTCSA-N 398.484 4.327 10 40 GICB CC1=CN2C(=N)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N=C2S1 5576514 YEMYMIBPBJHWDQ-AKYNJECVSA-N 380.385 4.022 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 100208192 NZPHIIAWPQQLKR-UYRXBGFRSA-N 392.411 4.171 10 40 GICB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(N(CC)CC)cc3O)S2)cc1 408775502 TWDYMGQJLNACEL-WLJFKGHSSA-N 397.544 4.400 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3c(F)cccc3Cl)C2=O)cc1Cl 408989662 UXJOHPMGEPZZQI-WQLSENKSSA-N 393.201 4.107 10 40 GICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cccc(OC)c1 408995874 BTBURUAZXDQZTD-KWPCUBQOSA-N 377.440 4.129 10 40 GICB COc1cc([C@H]2CC(c3cc(Cl)cc(Cl)c3O)=NN2)cc(OC)c1OC 1096602 ZLDQGFVTZJSTLJ-CYBMUJFWSA-N 397.258 4.164 10 40 GICB biogenic Cc1cc(C(=O)N2CCN(c3ccc(OCc4ccccc4)cc3)CC2)c(C)o1 2794842 QBRCVSBUGOSVNS-UHFFFAOYSA-N 390.483 4.438 10 40 GICB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1-c1ccc(Cl)cc1 5225994 CJCIKXXPPHIEGT-UHFFFAOYSA-N 382.847 4.108 10 40 GICB Cc1ccccc1C(=O)NN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S 5478057 UCZUVEJSJMUVAX-YVLHZVERSA-N 393.493 4.023 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 7423732 OKQRPZHITZDQQV-UHFFFAOYSA-N 387.892 4.480 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccccc1C(=O)OC 12410903 JTGSUXKEJBVPKB-LGMDPLHJSA-N 381.407 4.111 10 40 GICB O=[N+]([O-])c1ccc([C@H](Nc2ncccc2O)c2ccc3cccnc3c2O)cc1 49564996 XUWBUPJKQGWMNX-SFHVURJKSA-N 388.383 4.151 10 40 GICB Cc1ccc(N(C)CCNC(=S)Nc2ccc(Br)cc2F)cc1 225796042 RPXYAALFSXXBAE-UHFFFAOYSA-N 396.329 4.319 10 40 GICB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C(=O)O)cc2)SC1=S 409007361 PNZOYQGUANYCFK-BOPFTXTBSA-N 399.493 4.185 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1OC 13714717 XWHKTTTWAJEHMO-GDNBJRDFSA-N 375.446 4.249 10 40 GICB Cc1ccccc1[C@H]1CC(c2ccccc2O)=NN1S(=O)(=O)c1ccccc1 23042548 JWXFTIQFZKRXNK-OAQYLSRUSA-N 392.480 4.241 10 40 GICB O=C1/C(=C/c2ccco2)C(=O)N(c2ccccc2)C(=S)N1Cc1ccccc1 711961 ZXLRHHAEQBVAQO-RGEXLXHISA-N 388.448 4.024 10 40 GICB CC(=O)c1cccc(N/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 9422759 NMJOYFSQXNGBPY-QGOAFFKASA-N 382.510 4.246 10 40 GICB COc1ccc2c(c1)CCCN2CC(=O)N[C@H](c1ccccc1)c1cccs1 11419839 OSCCUCKMJNMTQU-HSZRJFAPSA-N 392.524 4.415 10 40 GICB C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 140015168 WPXQIJMIRYKOAN-CQSZACIVSA-N 375.925 4.224 10 40 GICB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)c1 408942282 YVDXKBQCCPDTKB-BOPFTXTBSA-N 398.846 4.104 10 40 GICB CSC1=NC(C)(C)C[C@]2(C[C@@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 5840107 MBCPPOKJQJROEC-CWTRNNRKSA-N 390.530 4.261 10 40 GICB CSc1ccc(Cl)c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 10907065 KHAHKCDFCBZQJH-UHFFFAOYSA-N 390.936 4.171 10 40 GICB Cn1c(-c2ccccc2)cnc1SC[C@@H]1CN(Cc2ccccc2)CCO1 12771541 UHPXRVVENISKNH-FQEVSTJZSA-N 379.529 4.080 10 40 GICB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1cccc(Cl)c1 16669662 ZRHJVXTZVLWSAU-BOAPOFAJSA-N 390.873 4.035 10 40 GICB COc1ccccc1NC[C@H](O)COc1ccc(OCc2ccccc2)cc1 28120567 HGEUJCSOBFHKQD-IBGZPJMESA-N 379.456 4.126 10 40 GICB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cccc3c2CCCC3)cc1 223563628 SOICKRQXORIVBX-GOSISDBHSA-N 380.532 4.495 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)cc3)C(O)=NC2=S)cc1 986827 NZMCFUBTSWIBFC-XMHGGMMESA-N 391.496 4.267 10 40 GICB Cc1cccc(N2C[C@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2SCCC3)c1 4086820 BPIWLLZGRXAXQS-IBGZPJMESA-N 394.347 4.473 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@H](c2ccc(F)cc2F)C1)CCC3 12389980 GSXTUUIXHVGPRK-INIZCTEOSA-N 396.393 4.013 10 40 GICB O=C1/C(=C/c2ccccc2F)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 33319789 PWQGZAKTLNCZMS-NVNXTCNLSA-N 389.433 4.005 10 40 GICB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC=C(c3ccccc3Cl)N12 41083626 KUYYWROJJYRWPA-PBGDOYKQSA-N 381.844 4.350 10 40 GICB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(=O)O)c(Cl)c1 59249493 TVNMHELPUDZXCG-VIZOYTHASA-N 390.848 4.112 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)cc1Cl 408774490 WAGITKNPFWIREL-XNTDXEJSSA-N 398.846 4.022 10 40 GICB Cc1cc(C)c(-n2c(C)cc(/C=C3/SC(=O)N(CC(=O)O)C3=O)c2C)c(C)c1 409134679 PENQXNYHEUANGM-RQZCQDPDSA-N 398.484 4.140 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc4ccccc34)C2=O)cc1Cl 4471975 BAADAOZSMWCDRX-WQRHYEAKSA-N 390.826 4.468 10 40 GICB COc1cccc(CNc2ncc(-c3cccc(Br)c3)n2C)c1O 4678296 YMJUVHQVUNRVLN-UHFFFAOYSA-N 388.265 4.176 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1OC 5371403 UQXSKFMNHDFZRH-ZDLGFXPLSA-N 399.493 4.312 10 40 GICB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C1=O 5947749 VHBBZWPINDNUSY-GZTJUZNOSA-N 391.402 4.151 10 40 GICB CCCCN1/C(=C2/SC(=S)N(CC)C2=O)Sc2ccc(OC)cc21 100091594 AJCNEQRLGIKVAC-PEZBUJJGSA-N 380.560 4.457 10 40 GICB Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(O)cc2)cc1 408761197 CHUCMBPKFTUAAX-KGENOOAVSA-N 398.418 4.233 10 40 GICB COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 408995791 NJHUZOGRETUEOR-CHHVJCJISA-N 378.906 4.245 10 40 GICB CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)cc1 6747951 UAPUZXIGNNSMFV-HSZRJFAPSA-N 396.531 4.363 10 40 GICB COCCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32593968 RIYFXHQPRHMFSU-LFIBNONCSA-N 377.462 4.323 10 40 GICB Cc1nc2ccc(NC(=O)NCc3ccc(N4CCSCC4)cc3)cc2s1 84290392 WIBNKAVNGJDSTK-UHFFFAOYSA-N 398.557 4.480 10 40 GICB CC(C)n1cc(/C=C2\C(=O)N=C(O)N(c3cccc(F)c3)C2=O)c2ccccc21 2447927 SKCUFKAIIBOLTN-VCHYOVAHSA-N 391.402 4.232 10 40 GICB Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c(C)n1-c1ccc(N(C)C)cc1 3885710 WOLOCDHBCUJFSH-UHFFFAOYSA-N 380.332 4.472 10 40 GICB N=C1/C(=C/c2ccc(O)cc2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 5217363 HCPMTJVRQCTNTO-MWSJVPHRSA-N 382.489 4.372 10 40 GICB COc1cc(/C=C2/SC(NC3CCCCC3)=NC2=O)cc(Cl)c1OC 96669703 GORYBPZRRPJQNG-XNTDXEJSSA-N 380.897 4.250 10 40 GICB Cc1cccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(O)cc2)c1 408846188 XTCZRWTZMJBILC-XSFVSMFZSA-N 399.406 4.443 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OC)c(OCc3ccccc3)c2)SC1=S 33621350 UTTCTVZSXXPMNZ-PDGQHHTCSA-N 385.510 4.495 10 40 GICB COc1ccc2c(c1)OCC(/C=C1/SC(Nc3ccccc3C)=NC1=O)=C2 96794907 CQIQONIMARXUEZ-VXLYETTFSA-N 378.453 4.405 10 40 GICB CCC(=O)N[C@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 4684872 WFKSFBVFFZAAHH-QGZVFWFLSA-N 385.807 4.118 10 40 GICB CCOC(=O)c1c(C)oc2c1c(CN1C[C@H](C)O[C@H](C)C1)c(O)c1ccccc12 15227371 VNYPUKLNLDKLDW-OKILXGFUSA-N 397.471 4.386 10 40 GICB Cc1cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c(C)n1-c1ccccc1 16046706 KLJDUTGVKURNLP-QFIPXVFZSA-N 388.467 4.271 10 40 GICB COc1cc(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)ccc1OCC#N 6613867 LCUIONPJRYARAF-UNOMPAQXSA-N 393.468 4.297 10 40 GICB CC1=CC2=NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=N)N2O1 41078277 ZOLZULUTFCEQOL-VLTWACRQSA-N 382.423 4.140 10 40 GICB Cc1cc(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c(C)n1-c1ccccn1 84081359 VICKRIDOGLNMRR-LJQANCHMSA-N 379.435 4.272 10 40 GICB Cc1cc(C(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)c(C)n1-c1ccccc1 3410277 KYXCWPQKBSZUCV-UHFFFAOYSA-N 391.862 4.284 10 40 GICB aggregator CCOC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc1 4406961 IZMCYDWWNYKVDY-UHFFFAOYSA-N 389.864 4.124 10 40 GICB O=c1oc2ccccc2n1C1CCN(Cc2ccc(N3CCCC3)cc2)CC1 12143883 CYMVQCIDMILCLA-UHFFFAOYSA-N 377.488 4.032 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3cc(C(=O)O)ccc3C)C2=O)c1 35038938 LPYOALZOOZIMPO-CXUHLZMHSA-N 385.466 4.108 10 40 GICB COc1ccc(CN/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc1 100422753 XKCFXQWCNXCRJC-UYRXBGFRSA-N 392.484 4.091 10 40 GICB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 409338683 OILRFFBXFRHMBY-ZSOIEALJSA-N 392.845 4.360 10 40 GICB CCc1ccccc1N1C(=O)/C(=C/c2ccc(C(=O)OC)cc2)SC1=S 5371714 PSVYZHIITODNJH-ATVHPVEESA-N 383.494 4.441 10 40 GICB Cn1c(-c2ccccc2)cnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 7129644 UUFQRWIYCSABAT-UHFFFAOYSA-N 383.429 4.154 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc(OC)c1 409019601 UUBIBXRUBXZPPB-MOSHPQCFSA-N 377.440 4.189 10 40 GICB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@@H]21 409160483 QECQYVUFVPTCPJ-LPMFXHHGSA-N 382.416 4.447 10 40 GICB COc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)c1 4393221 BVMRIMXGIJZDTI-SFHVURJKSA-N 378.453 4.454 10 40 GICB COc1ccccc1-n1c(C)cc(CN(CCN(C)C)Cc2cccnc2)c1C 19567585 JDYFIBKBTMTKKB-UHFFFAOYSA-N 392.547 4.062 10 40 GICB C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(-c2cccc(F)c2)cs1 96012621 GKTNQRDAKPZZDD-LLVKDONJSA-N 387.436 4.113 10 40 GICB CCN(CC)c1ccc(CNC(=O)c2ccc(CN3CCCCC3)cc2)cc1 223661238 HQVKDYGQYJIROW-UHFFFAOYSA-N 379.548 4.449 10 40 GICB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCCC4)c3oc2=O)cc1 4353838 DFMUKSQCEULYEC-UHFFFAOYSA-N 379.456 4.469 10 40 GICB biogenic COc1ccc(CCN2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1OC 5371125 IFHQTWFJBZJCMJ-UYRXBGFRSA-N 399.537 4.456 10 40 GICB Cn1c(-c2ccccc2)cnc1SCC(=O)Nc1nc2ccccc2s1 7423168 ULNVNLCMLPHVKF-UHFFFAOYSA-N 380.498 4.428 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C/c3ccc(OC(C)C)cc3)C2=O)cc1Cl 408989284 UBUGUKIWFABZCF-YVLHZVERSA-N 398.846 4.102 10 40 GICB Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)cc1C(=O)O 6054320 DYBOXAWEPJDWBT-UHFFFAOYSA-N 396.395 4.097 10 40 GICB CCN1/C(=C2\C(=O)N(C)C(=S)N2c2ccccc2)C=Cc2cc(C)ccc21 100498723 GATWULHJBZSAEG-FMQUCBEESA-N 375.497 4.323 10 40 GICB C[C@H]1CN2c3ccccc3C(C)(C)[C@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O 2295014 YXVYMGORJIFWRG-OJFFMAKCSA-N 375.516 4.026 10 40 GICB COc1ccc(Br)cc1/C=C1/SC(N2CCCCCC2)=NC1=O 2805710 YAUOTEBJFFZFOO-RVDMUPIBSA-N 395.322 4.304 10 40 GICB CC(C)OC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 19852756 LNMNSBSQRQKTNQ-UHFFFAOYSA-N 387.530 4.160 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc4c(c3)OCCO4)cc2)C1 225690922 SFBBUGDGIVGEDV-INIZCTEOSA-N 397.544 4.181 10 40 GICB COc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)ccc1N1CCCC1 260775001 OQRHWIDRFFMJAW-GQWLDOHISA-N 394.544 4.280 10 40 GICB COc1ccc(-c2cc(=O)oc3cc(OCC(=O)OC(C)(C)C)ccc23)cc1 4747354 KTWNXUUAYBBRDB-UHFFFAOYSA-N 382.412 4.189 10 40 GICB biogenic Cc1ccc(N2C(=O)NC(=O)/C(=C\Nc3ccc4ccccc4c3)C2=O)cc1C 103732626 DSGOBWQPKQHPHS-DEDYPNTBSA-N 385.423 4.035 10 40 GICB Cc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222737577 FIBUKRWRQGBSAQ-RTWAWAEBSA-N 376.529 4.400 10 40 GICB Cn1cccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O 13768882 QRBVNQGJAZZPMO-LCYFTJDESA-N 379.304 4.193 10 40 GICB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(F)cc1F 100249887 NHNBIXHVIZIZLZ-UVTDQMKNSA-N 377.778 4.311 10 40 GICB CCN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(O)=NC1=S 1184502 IQBPQFIKVVGSIM-LDADJPATSA-N 389.480 4.177 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc(OC)c1O 9188452 JNVCVKLTOZNYOW-YBEGLDIGSA-N 387.482 4.124 10 40 GICB CCN(CCC#N)c1ccc(CNC[C@H](c2ccco2)N2CCCC2)c(C)c1 22799098 BJOZPBDTEVAFTP-JOCHJYFZSA-N 380.536 4.255 10 40 GICB O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1c1ccc2c(c1)OCO2 51330773 JTIRWBGBKOEBRM-NVMNQCDNSA-N 392.461 4.369 10 40 GICB C/C(NCc1cccnc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112122172 ZFZYOBQYWDTGEG-PGMHBOJBSA-N 386.430 4.035 10 40 GICB COc1ccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222741869 UORRXZDPNAUHOR-RTWAWAEBSA-N 392.528 4.100 10 40 GICB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)s1 409352184 WTFYHHQYBLAUEF-MDWZMJQESA-N 394.930 4.256 10 40 GICB CCN(CC)c1ccc(C=C2C(=O)OC(c3ccc(SC)cc3)OC2=O)cc1 6391941 AFJPJQMRUTUZSY-UHFFFAOYSA-N 397.496 4.437 10 40 GICB Cc1cccc(OCCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)c1 17185968 YEPYQHUOVBYCQO-XMHGGMMESA-N 382.485 4.176 10 40 GICB O=C1N=C(O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)N1 58823031 VFDXGIDSGZDSGP-UHFFFAOYSA-N 391.210 4.162 10 40 GICB O=C1N=C(O)/C(=C\c2ccccc2F)C(=O)N1c1ccc(Br)cc1 59198183 RGOWBJRLJCRZCJ-UKTHLTGXSA-N 389.180 4.095 10 40 GICB O=C(c1ccncc1)N1N=C(c2cccc(Cl)c2)C[C@H]1c1ccccc1O 95946312 DBRQBETZLHSYDL-IBGZPJMESA-N 377.831 4.432 10 40 GICB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Cl)c(Cl)c1 653841 UZFMHXVYENOKQO-ZSOIEALJSA-N 392.238 4.459 10 40 GICB Cc1cc(C)cc(-n2c(C)cc(C(=O)CNC(=O)NCc3ccccc3)c2C)c1 12523207 QCDGHRKBURPBSM-UHFFFAOYSA-N 389.499 4.393 10 40 GICB CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)/C=C/c1ccc(Cl)cc1 14099566 PSHIYWSVKLUMMZ-BUHFOSPRSA-N 378.925 4.229 10 40 GICB O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccccc1 27530570 QTDBYIAXVXGJHK-FOWTUZBSSA-N 386.473 4.056 10 40 GICB Cc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)c(C)c1 17172963 YYWPDQIKZOKJAB-ZJNHSXOMSA-N 376.485 4.488 10 40 GICB CC(=O)Oc1c(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc(Cl)cc1[N+](=O)[O-] 408743689 UJNHNFZDHIMLKM-CHHVJCJISA-N 399.786 4.463 10 40 GICB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1250543 BAONDYKYAQFOKG-YVLHZVERSA-N 393.493 4.023 10 40 GICB COc1cc(C=C2C(=O)OC3(CCCC3)OC2=O)ccc1OCc1ccccc1 4309982 WVCHWZCQUZSPSC-UHFFFAOYSA-N 394.423 4.028 10 40 GICB O=C1N=C(O)/C(=C/c2c(O)ccc3ccccc23)C(=O)N1c1ccc(F)cc1 59106163 ZBYALDYIPTXOSK-BOPFTXTBSA-N 376.343 4.191 10 40 GICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCCSCc1nc[nH]c1C 100423338 OKIYPNFJLQIFAJ-SILNSSARSA-N 397.548 4.018 10 40 GICB O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1c1ccc2c(c1)OCO2 256055923 ZDORPAKOEFSVOQ-NVMNQCDNSA-N 392.461 4.369 10 40 GICB Cc1sc2c(c1C)C(=O)N[C@H](c1cc(Br)cc(Cl)c1O)N2 1106643 ZSJRZZXTEQTODE-LBPRGKRZSA-N 387.686 4.341 10 40 GICB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)n1 6313749 PJDJCUXCXMDQAP-UHFFFAOYSA-N 381.501 4.105 10 40 GICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccc(F)cc1 222739253 XPEBNOMWYCKQBR-PMACEKPBSA-N 380.492 4.231 10 40 GICB CCn1c(C)c(C)c2cc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)ccc21 27981639 PDRDEVFKCYACOZ-UHFFFAOYSA-N 391.515 4.249 10 40 GICB COc1ccc(OC)c(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1 1246590 HLOJATBPQCIBJA-MHWRWJLKSA-N 375.446 4.249 10 40 GICB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccccc1O 1298815 RAMDEYBXJWGGCT-GHRIWEEISA-N 398.509 4.012 10 40 GICB CCCN1C(=O)/C(=C/c2ccccc2OCC)C(=O)N(c2ccccc2)C1=S 6310962 ARAREOIHZFACOO-SDXDJHTJSA-N 394.496 4.039 10 40 GICB O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1Cc1ccccc1 15011487 KTPRLFBKAXPEGL-XYOKQWHBSA-N 380.288 4.444 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@@H]3C=CC[C@H]32)cc1 409164758 NKOWDBNVUZTKNG-OPYAIIAOSA-N 377.440 4.395 10 40 GICB O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 409214426 XKYKQAFOPLLQTC-VBKFSLOCSA-N 398.340 4.427 10 40 GICB CCC[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 5374279 DMFRFOWGGGIZHI-RHQKYQKNSA-N 381.906 4.264 10 40 GICB CC1=CC(C)(C)N(C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 208446218 ITXSHGXTMGJIJQ-NDENLUEZSA-N 387.508 4.089 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260802959 TYIATXWQLJPKLJ-DOTOQJQBSA-N 390.524 4.410 10 40 GICB COc1ccc(Br)cc1/C=C1\SC(=S)N(CC(C)C)C1=O 409031494 AUOATOKUJRERJJ-QPEQYQDCSA-N 386.336 4.315 10 40 GICB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 981283 HFCFVQUVNXJRIY-BRYHAGSVSA-N 398.484 4.082 10 40 GICB CCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccccc3O)=NN12 10213949 FADFHKSJAGCCAZ-IBGZPJMESA-N 397.906 4.401 10 40 GICB CCn1cc([C@@H]2CC(c3ccccc3O)=NN2c2ccc([N+](=O)[O-])cc2)c(C)n1 71785148 ALURYFJQWDHASB-FQEVSTJZSA-N 391.431 4.181 10 40 GICB CCOc1ccc(/C=C2\C(=O)N(C3CCCCC3)C(C)=C2C(=O)OC)cc1OC 6964023 CBBOIBKIZKGEPA-AQTBWJFISA-N 399.487 4.099 10 40 GICB COc1cc(N2CCOCC2)ccc1CNC1(c2ccccc2F)CCCC1 19549989 VIIKJGFKOLCMIE-UHFFFAOYSA-N 384.495 4.230 10 40 GICB C#CCOc1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1OCC 107715490 KZALZGSUSHCZQZ-ZHZULCJRSA-N 392.480 4.488 10 40 GICB CCN(CC)c1ccc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 225301449 UXYDVAATLUBZRI-UHFFFAOYSA-N 376.504 4.016 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 409052855 ITMNVGRNOVQGAV-KAMYIIQDSA-N 398.802 4.125 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 5249596 PPSBICZPFMSSQI-ZJNHSXOMSA-N 391.500 4.432 10 40 GICB CCCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)N=C1S 9359761 MIRFRYMDHWIWMO-PDGQHHTCSA-N 399.491 4.071 10 40 GICB Cn1cc(/C=C2\SC(=S)N(c3ccc(C(=O)O)cc3)C2=O)c2ccccc21 13770110 SEQHVINKFHEGJF-YVLHZVERSA-N 394.477 4.282 10 40 GICB CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 2702140 VGVANWKMUFWGHV-PDGQHHTCSA-N 397.525 4.117 10 40 GICB CCc1ccc(/C=C2\SC(=S)N(NC(=O)c3ccc(C)cc3)C2=O)cc1 9188754 PYQCLJNOSRSEMF-ATVHPVEESA-N 382.510 4.104 10 40 GICB COc1ccc(N2CCN(C(=O)c3ccc(SC(F)(F)F)cc3)CC2)cc1 12610341 DSWUVYBKNGFUMD-UHFFFAOYSA-N 396.434 4.270 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccccc1F 14414962 RFOIGUVJBMPYFH-CYVLTUHYSA-N 379.431 4.131 10 40 GICB O=C(NC1=NN(c2ccccc2)C(=O)C1)c1sc2cc(F)ccc2c1Cl 32648486 YEIYDDPOPKMCRF-UHFFFAOYSA-N 387.823 4.174 10 40 GICB COc1cc(N2CCCC2)ccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222593829 JASAKRMAVDZIMO-ONGXBYRLSA-N 394.544 4.280 10 40 GICB Cc1cccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c1C 1262823 NNEZEVWEGLFOMK-DHDCSXOGSA-N 388.539 4.205 10 40 GICB CCCCC(=O)N[C@H](c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O 4817567 VVRFQSOMYLFRRY-OAQYLSRUSA-N 394.471 4.353 10 40 GICB biogenic O=C1/C(=C\C=C\c2ccc3c(c2)OCO3)SC(=S)N1Cc1ccccc1 9194920 DVQMQKPBUKPKQD-FLGOTCTISA-N 381.478 4.373 10 40 GICB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cc(C(=O)O)ccc1Cl 408819320 PZFZEBOMMXCCLE-NVNXTCNLSA-N 390.848 4.112 10 40 GICB CCOc1ccc(/C=C2/SC(=S)N(c3ccc4c(c3)OCO4)C2=O)cc1 1417219 OETMOMVFXKARJM-RQZCQDPDSA-N 385.466 4.220 10 40 GICB COc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 5320717 BLVHEDSZLAXNLD-XNTDXEJSSA-N 389.885 4.390 10 40 GICB CCN1C(=O)/C(=C\c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC1=S 38168223 STNLLAJXIDBUTL-VBKFSLOCSA-N 375.453 4.322 10 40 GICB S=C(NCCCN1CCc2ccccc21)Nc1ccc(Br)cc1 225558963 HBWLHWNDJJXWQM-UHFFFAOYSA-N 390.350 4.188 10 40 GICB Ic1cc2c3c(c1)[C@@H]1C=CC[C@H]1CN3C[C@H]1CC=C[C@@H]21 409335991 ZMAYSCPWRLHCTG-AYRXBEOTSA-N 375.253 4.444 10 40 GICB Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 1134816 LIOZYNNHCUMXMH-XMHGGMMESA-N 380.469 4.073 10 40 GICB Cc1ccc(S(=O)(=O)c2cc(O)c(O)c3ccc(Br)cc23)cc1 1593880 UGTJROJPZPWRTB-UHFFFAOYSA-N 393.258 4.155 10 40 GICB CN(C)c1ccc([C@@H](CNC(=O)CC(C)(C)C)N2CCc3ccccc32)cc1 5098637 VCNIUJYYZNPFDM-JOCHJYFZSA-N 379.548 4.409 10 40 GICB CCC(=O)Nc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2C)cc1 7129317 SBCRRFPQJQKDRQ-UHFFFAOYSA-N 379.485 4.411 10 40 GICB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(OC)c2O)cc1 7883870 PCUGUOHFSQVUEP-OAQYLSRUSA-N 376.412 4.181 10 40 GICB O=C(O)Cc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 36624780 YUTGZZNFKRRCDS-LICLKQGHSA-N 394.477 4.201 10 40 GICB CN1c2ccccc2S[C@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@@H]21 48024942 CLJYTWXMEAQEJM-FPOVZHCZSA-N 388.492 4.148 10 40 GICB O=C(C[C@@H](C(=O)O)N1CCCCC1)Nc1ccc(/N=N\c2ccccc2)cc1 101090829 ARBNKZFKGXIRPO-OAFDPHIXSA-N 380.448 4.370 10 40 GICB CN(CCCNC(=S)Nc1ccc(Br)cc1F)c1ccccc1 225748215 VZAVEGRQIGMFLV-UHFFFAOYSA-N 396.329 4.401 10 40 GICB CN(C)c1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1 409051067 HZSQPFIKGVWLQQ-AQTBWJFISA-N 386.448 4.007 10 40 GICB CCN1C(=O)S/C(=C/c2ccc(N(CC)CC)c(Br)c2)C1=O 409064955 JOYXFZVHEJXGEM-GXDHUFHOSA-N 383.311 4.352 10 40 GICB CCOc1ccccc1/C=C1/SC(=S)N(CCCCCC(=O)OC)C1=O 1768377 JDCOBOSRYQPHFJ-DTQAZKPQSA-N 393.530 4.020 10 40 GICB CCOc1cccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)C(=O)NC2=S)c1 4742186 SKYHIGTXRQCTID-UNOMPAQXSA-N 394.496 4.040 10 40 GICB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 8743494 OMOBVRAYKIDWDA-KPENOIPVSA-N 380.400 4.118 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c1 13765726 BMHSNUZXRJJCRZ-BOPFTXTBSA-N 387.482 4.118 10 40 GICB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccccc1Cl 13856399 LORFVEALJDWUGT-PDGQHHTCSA-N 384.823 4.035 10 40 GICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 15134056 CGQYMRQYYWTAHV-YVLHZVERSA-N 383.835 4.374 10 40 GICB O=C(O)c1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 33314194 IKVNTSXQKDYNES-ZSOIEALJSA-N 375.858 4.444 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/NCCc1ccc(OC)cc1 100111161 GCNIJGGROXPCLG-HMMYKYKNSA-N 381.451 4.053 10 40 GICB COc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222741705 JXVAIBMGYSPKLG-SFTDATJTSA-N 392.528 4.100 10 40 GICB CN(C)c1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 1416712 UBEWLIWBXCRECY-WJDWOHSUSA-N 385.470 4.067 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2)o1 2216250 JEQQJOSEWPSNLQ-SFQUDFHCSA-N 392.798 4.266 10 40 GICB C[C@@H]1[C@@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C 5336123 GJEDYODRNPXMLU-UEWWBUKWSA-N 387.527 4.179 10 40 GICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1ccccc1 5445841 LNLCFDTZSKYRSV-XMHGGMMESA-N 376.485 4.125 10 40 GICB Cc1ccc(N2C(=O)/C(=C\c3ccc(O)c([N+](=O)[O-])c3)SC2=S)cc1C 37342262 QABOCEVUKDSNRT-CXUHLZMHSA-N 386.454 4.323 10 40 GICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NC(=O)Nc1cccc(C)c1C 102516058 MFENBKYHNAAKFX-BOPFTXTBSA-N 382.851 4.385 10 40 GICB CC1CCN(c2ccc([C@@H](C)NC(=O)c3ccc4c(c3)OCCO4)cc2)CC1 225402289 VRUIUWCXAQGYPJ-QGZVFWFLSA-N 380.488 4.185 10 40 GICB O=C1/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC(=S)N1C[C@H]1CCCO1 409089318 ILRYEAGOUPYVCY-DKBJHAQFSA-N 390.313 4.079 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 9379250 HTWZEWFITNDIHI-SFHVURJKSA-N 385.471 4.166 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1N1CCCCC1 408998669 RTKGIACLVCFCBN-HKWRFOASSA-N 390.443 4.391 10 40 GICB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409134983 PBMUMUUEEMIZNA-XDHOZWIPSA-N 384.501 4.394 10 40 GICB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)c1C 2630843 YXJWYWWZMPTTNK-UHFFFAOYSA-N 392.455 4.281 10 40 GICB CCOc1ccccc1N1C(=O)/C(=C\c2nc3ccccc3[nH]2)SC1=S 4470119 OHSWSILSYXBKON-LFIBNONCSA-N 381.482 4.367 10 40 GICB CCOc1ccccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 5374777 HVWBUSHUTJZMFW-SFQUDFHCSA-N 398.509 4.169 10 40 GICB Cc1cc(C(=O)COC(=O)c2cccnc2Cl)c(C)n1-c1ccc(F)cc1 5711468 YBRQCFPZXXWRSB-UHFFFAOYSA-N 386.810 4.321 10 40 GICB CCc1cccc2c1NC(=O)/C2=C1\SC(N(C)c2ccc(Cl)cc2)=NC1=O 6568218 YLZAEWRKQABHQL-ICFOKQHNSA-N 397.887 4.331 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c(s1)CCCCC2 8186093 HSTXGZFFTFLMSV-UHFFFAOYSA-N 384.545 4.126 10 40 GICB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1ccc(/N=N/c2ccccc2)cc1 103066588 UPTKEHOGEFCOTP-QWVLCHBDSA-N 390.443 4.216 10 40 GICB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(Br)c1 408992352 AKXMGNOXDVFHFO-AUWJEWJLSA-N 393.331 4.345 10 40 GICB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c(C)n1-c1cccnc1 409081421 ODOCALPQHHUWSL-MOSHPQCFSA-N 394.544 4.222 10 40 GICB CCCN1C(=O)N/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 409237593 AFKULOCLWRGWLJ-DEDYPNTBSA-N 391.446 4.440 10 40 GICB Cc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3O)C2)cc1 4248185 DZQVVFKRTCZLEB-OAQYLSRUSA-N 392.480 4.241 10 40 GICB Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1 17373759 CMRCYZLRSDSGMN-DTQAZKPQSA-N 397.525 4.010 10 40 GICB Cc1ccc(N(Cc2ccco2)C(=O)/C=C/c2cn(Cc3ccccc3)nn2)cc1 29473381 PGTULHZPMTUUSL-SDNWHVSQSA-N 398.466 4.474 10 40 GICB Cc1oc2c(CN3CCCOC3)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1 32501398 LVOZQDLDWQWIJI-UHFFFAOYSA-N 385.847 4.307 10 40 GICB biogenic Cn1cccc1/C=C1/C(=O)N(c2cccc(Cl)c2Cl)C(=S)N=C1O 1161199 BAJQAUSPQIFVPY-CSKARUKUSA-N 380.256 4.004 10 40 GICB CCc1ccc(/C=C2/SC(N3CCN(Cc4ccccc4)CC3)=NC2=O)cc1 27515603 JCMYDASRZYZTPY-LTGZKZEYSA-N 391.540 4.037 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)cc1 38177197 NXINOCGQHPMQSS-GZTJUZNOSA-N 380.469 4.243 10 40 GICB CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)NC2CCCC2)cc1 96901176 FIMBLOMPKVYEQI-OCOZRVBESA-N 394.475 4.384 10 40 GICB Nc1ccc(N2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 98181470 DEYSOXZODQBMAU-UHFFFAOYSA-N 399.494 4.340 10 40 GICB CN(C)c1ccc(/C=C/c2cc(/C=C/c3ccc(N(C)C)cc3)[nH]c(=O)n2)cc1 4714262 ZZFIFVDWTYNXBO-YDWXAUTNSA-N 386.499 4.243 10 40 GICB O=C(O)c1cc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)ccc1Cl 7000580 OMZDAAANGIUQRZ-UHFFFAOYSA-N 391.810 4.425 10 40 GICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccccc1OC 408895695 VNYVGCLTUWUXOM-NOMGLIDZSA-N 377.440 4.129 10 40 GICB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 1008434 UCIFBTCHBLWIKE-RSYJBZMQSA-N 383.311 4.350 10 40 GICB Cc1cccc(C)c1OCC(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288261 YXBXENUEIYCDSJ-UHFFFAOYSA-N 389.499 4.377 10 40 GICB Cc1sc(NS(=O)(=O)c2ccc(F)cc2F)nc1-c1ccc(F)cc1 57692641 CRJSXBXXBUAJQL-UHFFFAOYSA-N 384.404 4.337 10 40 GICB COc1cccc(CNc2ncc(-c3ccc(Br)cc3)n2C)c1O 4678348 AYEZJUSSKPKTTD-UHFFFAOYSA-N 388.265 4.176 10 40 GICB OC1CCN(c2ccc(CNCc3cccc(OC4CCCC4)c3)cc2F)CC1 58055705 ZXRKOMNBHBLGPE-UHFFFAOYSA-N 398.522 4.398 10 40 GICB CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)ccc1OC 59861437 VGDRHKGRWHJOIC-LFIBNONCSA-N 394.427 4.217 10 40 GICB CCc1ccc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(C)=C2C(=O)OC)cc1 409070738 NDTKAELNOLATAE-ZHZULCJRSA-N 377.440 4.135 10 40 GICB Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(Cl)c1O 4284252 LBZGIAYVWYWUCZ-UHFFFAOYSA-N 384.841 4.186 10 40 GICB CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(CC)C(=S)N=C3O)c2c1 6950745 JLYRFNAAGKXHSC-SFQUDFHCSA-N 398.484 4.124 10 40 GICB O=C1NC(=S)S/C1=C\c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 12540203 IOQXKEUHRAJUEP-ZSOIEALJSA-N 376.390 4.015 10 40 GICB CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccco2)SC1=S 3215426 JUNATDGBPHXKMA-WJDWOHSUSA-N 381.482 4.353 10 40 GICB COc1ccc(-c2ccc(CCC(=O)NCc3ccc(N(C)C)cc3)o2)cc1 12777395 FSDIUMKLBMMQBC-UHFFFAOYSA-N 378.472 4.270 10 40 GICB CCN(CC)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 15502946 KWRIXLFHUQNKHU-SIKLNZKXSA-N 379.504 4.278 10 40 GICB COc1ccc2ccccc2c1/C=C1\C(=O)N(c2ccc(F)cc2)C(=O)N=C1O 59106169 KVGAOHORXJVXFL-PDGQHHTCSA-N 390.370 4.494 10 40 GICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2)o1 408740184 JEESFDHNRAQFSL-SFQUDFHCSA-N 392.798 4.266 10 40 GICB Cc1cc(C)c(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c(C)c1 408984363 QDFOAJFGNZEJER-YVLHZVERSA-N 382.847 4.240 10 40 GICB CCCOc1ccc(Br)cc1/C=C1\SC(=S)N(CC)C1=O 7717755 HUPQNSNPCKBHJK-LCYFTJDESA-N 386.336 4.459 10 40 GICB COc1ccccc1N1C(=O)/C(=C\C2=Cc3ccccc3OC2)SC1=S 9419886 MIMFCBOTBKETQS-WOJGMQOQSA-N 381.478 4.420 10 40 GICB Cc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1C 13007769 QEFWROGRDXNLPI-DEOSSOPVSA-N 391.559 4.253 10 40 GICB C[C@H](NC(=O)c1ccccc1Cn1cccn1)c1ccc(N2CCCCC2)cc1 19719180 GJBPXUDILQYULY-IBGZPJMESA-N 388.515 4.413 10 40 GICB Cc1ccc(N2C(=O)N=C(O)/C(=C\Nc3ccc4c(c3)CCC4)C2=O)cc1C 102564207 UVZSSSNOGAAAAQ-XDHOZWIPSA-N 375.428 4.211 10 40 GICB CCCCN/C(C)=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 112120175 WOSQLQVDKPFTGD-CYVLTUHYSA-N 378.432 4.009 10 40 GICB CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)cc1 4063520 ASULKLMNSDTZOI-PGMHBOJBSA-N 377.488 4.083 10 40 GICB O=C1/C(=C\c2cccnc2)SC(=S)N1c1cccc(Br)c1 5855393 GJVLFZKLXCDBEU-NTUHNPAUSA-N 377.288 4.250 10 40 GICB CO[C@@H](C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O)c1ccccc1 9419291 VQSQHUGMJKHABK-FYYLOGMGSA-N 386.451 4.458 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C\c3ccc4ccccc4n3)SC2=S)c1 9423549 AWFPYCSGLJVKLW-GZTJUZNOSA-N 392.461 4.339 10 40 GICB CCOc1cccc2c1O[C@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@H]21 10215880 BBPGRYHTHQBEIY-AUSIDOKSSA-N 387.439 4.428 10 40 GICB COc1ccc(N2CCN(Cc3ncc(-c4ccc(Cl)cc4)o3)CC2)cc1 57446515 SJQORZUIRLHJQC-UHFFFAOYSA-N 383.879 4.326 10 40 GICB CCN1C(=O)/C(=C/c2cc(Cl)cc(Br)c2O)SC1=S 408725155 JOCWIYXNKHLWKI-WTKPLQERSA-N 378.700 4.029 10 40 GICB Cc1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)cc1 2233313 TWTJKVNHLJPUNO-STZFKDTASA-N 399.450 4.069 10 40 GICB Cc1cccc(C)c1OC[C@@H](O)CN(Cc1ccco1)Cc1ccccc1O 3394625 RGFCWQWKWVGKDB-FQEVSTJZSA-N 381.472 4.044 10 40 GICB CCN1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)SC1=S 6205506 IXGNCTJCWIKUPH-UVTDQMKNSA-N 393.331 4.461 10 40 GICB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 981822 DXJXWZYDLJWLNX-JQFNYASXSA-N 398.484 4.000 10 40 GICB Cc1ccccc1N1C[C@@](O)(c2ccc(Cl)c(Cl)c2)[N+]2=C1SCCC2 4086810 IGPGGVKEXIGRCQ-LJQANCHMSA-N 394.347 4.473 10 40 GICB COc1ccc(-c2c(C)c3ccc(O)c(CN4CCCC4)c3oc2=O)c(OC)c1 6623780 NAABCJZEFYMJAQ-UHFFFAOYSA-N 395.455 4.087 10 40 GICB biogenic Cc1ccc(C)n1-c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 408708038 NNVSTBQAHZSKIC-QGZVFWFLSA-N 391.446 4.225 10 40 GICB CCOC(=O)COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408901679 HEIHGTRLVAMEDE-SFQUDFHCSA-N 399.493 4.034 10 40 GICB COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 409002588 VICVJSHHAGAYJN-NDENLUEZSA-N 376.456 4.078 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1OC 1260322 XWHKTTTWAJEHMO-XNTDXEJSSA-N 375.446 4.249 10 40 GICB CN(C)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 7209122 MKQMCTNHMBXRIU-LFIBNONCSA-N 385.470 4.067 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc(Cl)ccc1Cl 10906978 DPQXKHXMLWSQFB-UHFFFAOYSA-N 379.287 4.102 10 40 GICB O=C1N=C(Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(O)c(O)c1 33323823 UDNPQZBJXPYUMM-NTUHNPAUSA-N 381.240 4.487 10 40 GICB CCOC(=O)[C@@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1 3336856 JJBBFGQVUKCGPB-CQSZACIVSA-N 392.293 4.083 10 40 GICB CCN(CC)c1ccc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)cc1 6869687 IVXWWAMYTACAJK-UHFFFAOYSA-N 376.888 4.296 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(F)c(F)c3)n2C)cc1 7423678 UTOUJJQIVVVJBC-UHFFFAOYSA-N 389.427 4.105 10 40 GICB CCN(CC)c1ccc(CN(C)C(=O)c2ccc3nc(C)c(C)nc3c2)cc1 32772497 JUKUGEKOWUZWBQ-UHFFFAOYSA-N 376.504 4.365 10 40 GICB C[C@@H](c1ccccc1)n1cnn(CN(C)Cc2ccc(N(C)C)cc2)c1=S 54440551 OOUWDPRGQHYCQM-KRWDZBQOSA-N 381.549 4.179 10 40 GICB COc1ccc(N2CCN(C(=O)C34CC5C[C@](C)(C3)C[C@](C)(C5)C4)CC2)cc1 100780777 QQYOLLKJMLCQKI-PRRLZWHQSA-N 382.548 4.340 10 40 GICB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 408706914 FCDLGIBSQJSUBX-KRWDZBQOSA-N 391.446 4.225 10 40 GICB Cc1cccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1C 408902079 FIFUFNSQZIYKTK-XKZIYDEJSA-N 399.519 4.481 10 40 GICB COc1cccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c1 409035744 QEFOFMJMNZQUHQ-YRNVUSSQSA-N 382.288 4.197 10 40 GICB CCN(CC)c1ccc(CNc2nc(-c3cccnc3)nn2C(=O)C(C)C)cc1 4732553 OHRORVYDAXAALU-UHFFFAOYSA-N 392.507 4.095 10 40 GICB CCOc1cccc(CN(Cc2ccccn2)C2CC(C)(C)NC(C)(C)C2)c1O 12118178 QZXXURFHYFGMQN-UHFFFAOYSA-N 397.563 4.497 10 40 GICB COc1ccc(CN2CCN(Cc3c(O)ccc4ccccc34)CC2)cc1F 22801290 UYLUOHPWEJNTRV-UHFFFAOYSA-N 380.463 4.011 10 40 GICB CN(CCCN(C)/N=N/c1ccccc1C(=O)O)/N=N\c1ccccc1C(=O)O 100374477 LLWSHWXPHQQTEL-KEEJTVGESA-N 398.423 4.034 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1C 408849809 ZFZAQDKWOVECPZ-CPNJWEJPSA-N 376.456 4.267 10 40 GICB COc1cc(/C=C2\SC(=S)N(n3c(C)ccc3C)C2=O)cc(Cl)c1O 409205502 OCCYTPKLVUJFDI-ZSOIEALJSA-N 394.905 4.010 10 40 GICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1F 409238055 BVKKGZMCQYFKLX-DEDYPNTBSA-N 389.430 4.326 10 40 GICB O=C(CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S)N1CCCC1 2701136 PAAVEWQTLCEKEC-ICFOKQHNSA-N 388.558 4.071 10 40 GICB CO[C@@H](C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O)c1ccccc1 9419289 VQSQHUGMJKHABK-JTHBVZDNSA-N 386.451 4.458 10 40 GICB Cc1c(Cl)cccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)cc2)C1=O 408799634 HEIWJPOXICHBPT-LFIBNONCSA-N 398.846 4.102 10 40 GICB CCN(CC)c1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1 409205820 FZECLERCSRVAIT-QGOAFFKASA-N 385.558 4.489 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)Cc3cccs3)N3CCCCC3)ccc21 9137559 XDKFDAGBBZDWGD-JOCHJYFZSA-N 397.588 4.016 10 40 GICB Cc1cc(CN(CCN(C)C)Cc2cccnc2)c(C)n1-c1ccccc1F 19567577 RIIWAUHVJFVNRD-UHFFFAOYSA-N 380.511 4.192 10 40 GICB O=C(O)c1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 408764746 YEDRIDRADLCZCT-XSFVSMFZSA-N 386.382 4.358 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)SC1=S 409375668 NRUDBRSHCVAVPM-PDGQHHTCSA-N 385.558 4.381 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 6570587 GRRVCHXZSICUOM-XMHGGMMESA-N 398.553 4.205 10 40 GICB CCOc1ccc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2O)cc1OC 59860896 HWGGLMREJCFSFW-LFIBNONCSA-N 394.427 4.217 10 40 GICB CC1=CC(C)(C)N(C)c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)cc21 260755811 BUGVBFJXGQUCNI-VQTJNVASSA-N 378.545 4.316 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 409024445 SSNYUOSTSMEVIJ-UNOMPAQXSA-N 392.411 4.089 10 40 GICB CC[C@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 2252218 PLQISDXXCMTSGX-FRRXJZEGSA-N 394.587 4.131 10 40 GICB CC(C)COC(=O)CN1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 4482886 NNGNAJFRIPXQEA-CXUHLZMHSA-N 377.531 4.210 10 40 GICB COc1cc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CCOC(C)(C)C2)ccc1O 100748899 NQVUUYKCIYGUES-JPYJTQIMSA-N 394.471 4.230 10 40 GICB biogenic CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccc4c(c3)OCO4)cc2)CC1 222653250 HUAPCHRVPWJUFN-SFHVURJKSA-N 394.515 4.462 10 40 GICB CCOc1cccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 409330736 LSUCLPBQHWUUTN-MHWRWJLKSA-N 386.454 4.399 10 40 GICB CCc1cc(=O)oc2c(C)c(O)c(CN(C)C[C@H]3CCCN4CCCC[C@@H]34)cc12 1565520150 NMRPWGZCNJVZND-NQIIRXRSSA-N 398.547 4.066 10 40 GICB biogenic COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 13402418 WTGRLGCHWTUYKT-MDZRGWNJSA-N 380.400 4.217 10 40 GICB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)cc1 208706299 VOLBSXMSBVHDER-WJDWOHSUSA-N 387.482 4.392 10 40 GICB CC(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)s3)C(=O)NC2=S)cc1 409231167 IBPPMZLFLWBOSI-NTEUORMPSA-N 390.917 4.356 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 4151431 WTGRLGCHWTUYKT-BXWFABGCSA-N 380.400 4.217 10 40 GICB CN(C)c1ccc(CN2CCC(n3c(=O)oc4ccc(Cl)cc43)CC2)cc1 12143885 AJLMUOGJOKULRI-UHFFFAOYSA-N 385.895 4.151 10 40 GICB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)SC1=S 409352118 WERKXPGHHMZHDJ-QPEQYQDCSA-N 380.834 4.339 10 40 GICB Cc1ccccc1NC(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 4536565 LECKYRVZFSVFKI-FOWTUZBSSA-N 386.498 4.208 10 40 GICB Cc1cc(Br)c2c(c1)/C(=C1/SC(c3ccccc3)=NC1=O)C(=O)N2 101392316 MPBFLGRDBIGFDE-SQFISAMPSA-N 399.269 4.141 10 40 GICB C[C@@]12C=C[C@@H](O1)[C@@H](C(=O)O)[C@@H]2C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 409377033 FKUXOZIERMKEPF-GYCDMBMGSA-N 377.400 4.085 10 40 GICB O=C1N/C(=C\c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccc(Cl)cc1 6831384 NJEGXJORFHFSRL-ZHZULCJRSA-N 395.890 4.423 10 40 GICB CCCCCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S 4746556 BHOADGRKZUWKFL-WYMLVPIESA-N 383.560 4.463 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(F)c1 6962903 RWABDVBNIGVNET-ZHZULCJRSA-N 395.430 4.492 10 40 GICB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(OC)ccc2N2CCOCC2)cc1 7496837 HZDIFSYQDQLKTO-QGZVFWFLSA-N 398.503 4.063 10 40 GICB CCOc1ccc2c(c1)SC1=NC(=O)/C(=C\c3c[nH]c4ccccc34)C(=N)N12 13811608 HDCJMHDFNKHWMO-RBJHLIOGSA-N 388.452 4.436 10 40 GICB Cc1ccc(/N=N/c2cc(C)ccc2NC(=O)CCN2C(=O)CCC2=O)cc1 102886582 NJNWRFHVRGQJNC-WCWDXBQESA-N 378.432 4.196 10 40 GICB C[C@@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC(c2ccccc2F)=NO1 141565507 LXLCWCMHHLVLKL-QHCPKHFHSA-N 395.478 4.016 10 40 GICB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1C(=O)O 409017208 LJQPXDVLFHJJGB-LICLKQGHSA-N 384.457 4.237 10 40 GICB COc1ccc(/C=C2\SC(=S)N(CCc3ccc(OC)cc3)C2=O)cc1 1441460 OSQHCAZVUMCCGA-AQTBWJFISA-N 385.510 4.148 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3cc(Cl)ccc3O)SC2=S)cc1 4578425 XOPARXSWOVWANR-OQLLNIDSSA-N 377.874 4.460 10 40 GICB COc1ccc(C2(NCc3ccc(N4CCOCC4)cc3OC)CCCC2)cc1 12292848 PFLPOVWHNRNUID-UHFFFAOYSA-N 396.531 4.100 10 40 GICB COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13389236 TUVWSTBUSUXFDH-PJIJBLCYSA-N 380.400 4.217 10 40 GICB Cc1cc(C(=O)Nc2cccc(C(=O)N(C)C)c2)c(C)n1-c1ccc(F)cc1 25541767 VXBJTQCNXKVNGO-UHFFFAOYSA-N 379.435 4.187 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccc(C)cc3C)C2=O)cc1 408961175 BDZQGWYEBWXOJJ-XSFVSMFZSA-N 399.450 4.069 10 40 GICB O[C@]1(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 4086798 AWSOCCMKWJFERI-SFHVURJKSA-N 380.320 4.164 10 40 GICB CCCCCCc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)c(O)cc1O 18142049 BZVODXSVYXYGLN-QZQOTICOSA-N 377.466 4.283 10 40 GICB O=C(O)CCCN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2)SC1=S 55037955 OMBFYSCKQTZEPW-WDZFZDKYSA-N 376.286 4.059 10 40 GICB Cc1ccccc1-n1c(C)cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c1C 57996944 MYPRHAHOAKIQFE-UHFFFAOYSA-N 390.270 4.149 10 40 GICB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1cccc(F)c1 222738940 RUYWECJVFXGJLP-VQTJNVASSA-N 380.492 4.231 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)ccc4C)c3C)C(=O)N=C2S1 5486876 XHUHZEJKAMBENK-YNQUSLBMSA-N 391.500 4.350 10 40 GICB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1C(=O)O 35648277 XISOPCLRHDSUSI-LICLKQGHSA-N 398.509 4.165 10 40 GICB Cc1cc2nc3s/c(=C\c4ccc(N5CCCCC5)cc4)c(=O)n3c2cc1C 144534471 HCIRSFBJYLWNRN-STZFKDTASA-N 389.524 4.064 10 40 GICB Cc1nn(C)c(C)c1CC(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 10888404 JCUPDVMJYCWAHY-RUZDIDTESA-N 399.494 4.344 10 40 GICB Cn1cccc1/C=C1\SC(=S)N(c2ccccc2Br)C1=O 13811614 ZZPJVRJCMDXKJB-LCYFTJDESA-N 379.304 4.193 10 40 GICB Cc1cc(C(=O)CN2CCN(C)CC2)c(C)n1-c1ccc(-c2ccccc2)cc1 22458685 QSFDVEPAOPXVCT-UHFFFAOYSA-N 387.527 4.191 10 40 GICB COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 222793424 BABMLWYFLSQEGM-GOSISDBHSA-N 382.504 4.188 10 40 GICB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1 976744 JCQVGJNLXNZRKJ-RGEXLXHISA-N 382.485 4.176 10 40 GICB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 19771005 KYPFHZXHBBGHQE-OLHVRJLCSA-N 381.478 4.270 10 40 GICB O=C1N=C(N2CCN(Cc3ccccc3)CC2)S/C1=C\c1ccccc1Cl 19842386 PRNIXOBNBVXNBO-RGEXLXHISA-N 397.931 4.128 10 40 GICB O=C(c1cccnc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1O 4614079 YLWVSTCJWSLRLA-IBGZPJMESA-N 377.831 4.432 10 40 GICB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)c(OC)c3)S2)cc1 6366253 LHUJMSZZUNYCOK-LDADJPATSA-N 384.457 4.185 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccccc3OC)C2=O)c(OC)c1 12629342 SVNAKIRGSVPRBI-YVLHZVERSA-N 387.482 4.118 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)cc1OC 13647240 KNWVSKZHYNJWKX-BOPFTXTBSA-N 387.482 4.205 10 40 GICB CC[C@H](C)N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18146134 LMDXQDDBBRAMFE-CVZWZAMJSA-N 382.411 4.223 10 40 GICB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=N)N2O1 41078321 IEYDYQUMIQYQPA-DJCXZETLSA-N 393.830 4.369 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c(OC)c1 260739877 QDYWMCMXNONWKV-INIZCTEOSA-N 399.560 4.427 10 40 GICB COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccc(O)cc2)C1=O 408762694 KWJPPRKHYVNAEM-XSFVSMFZSA-N 388.398 4.374 10 40 GICB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 408896672 HCWPBERDKHKQGU-HUCUOGIVSA-N 392.455 4.147 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3cccc(C)n3)SC2=S)cc1Cl 409338166 FCOOQHNESMTZDY-OVCLIPMQSA-N 376.890 4.458 10 40 GICB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O 1008432 UCIFBTCHBLWIKE-GMROUXNLSA-N 383.311 4.350 10 40 GICB CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1 2282313 AMZACDSPNGLJSU-DTQAZKPQSA-N 381.407 4.179 10 40 GICB CSc1c(C(=O)NCc2ccccc2)ccc2c1C(=O)c1ccccc1C2=O 4573267 QABIHVCAZZHFHI-UHFFFAOYSA-N 387.460 4.114 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@H]3C=CC[C@H]32)cc1 6960583 NKOWDBNVUZTKNG-UEXGIBASSA-N 377.440 4.395 10 40 GICB Cc1cccc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)c1 48345501 YTQPIGHUDZUJST-UHFFFAOYSA-N 390.270 4.149 10 40 GICB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 981820 DXJXWZYDLJWLNX-GZQZNAIASA-N 398.484 4.000 10 40 GICB CCCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O 408806204 AVEJDOIXWBOLNV-FOWTUZBSSA-N 398.846 4.104 10 40 GICB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(Cl)cc1 1312393 OOUQPKQEGQDEKJ-JYRVWZFOSA-N 394.930 4.241 10 40 GICB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)N1CCCCC1 5595073 FTHFCWHIDCRQGX-UHFFFAOYSA-N 381.501 4.296 10 40 GICB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)c1 408942337 ZEIAQPYJZYXOEM-BOPFTXTBSA-N 398.846 4.104 10 40 GICB CCN(CC)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccccc2)N=C1C 409001728 QZDQTNGREPRPCG-RGEXLXHISA-N 378.432 4.247 10 40 GICB O=C1[C@@H](Cc2ccc(Br)cc2)SC(=S)N1c1ccccc1 3346346 CLERKMUOMSJPOV-CQSZACIVSA-N 378.316 4.425 10 40 GICB Cc1cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c(C)n1-c1cccc2ccccc12 3859319 GVMJLNGOMBZILO-FNGBSHHDSA-N 399.479 4.496 10 40 GICB CCCCCCOc1ccc(Cl)cc1/C=C1/SC(NC(C)=O)=NC1=O 6273294 VYDZNRRMGHTNNN-LFIBNONCSA-N 380.897 4.406 10 40 GICB FC(F)(F)c1cccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)c1 53535899 DMZHGMOCDYVUQQ-UHFFFAOYSA-N 395.450 4.029 10 40 GICB CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(F)c(F)c(O)c(F)c2F)cc1 95971197 SCAKNMNMSNMJRG-QMMMGPOBSA-N 377.359 4.263 10 40 GICB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(C(F)(F)F)=NN12 4664750 DVWSCZCCWAHRAP-RQLGPDLJSA-N 390.346 4.128 10 40 GICB Cc1ccccc1NC(=O)[C@]1(c2ccc(N(C)C)cc2)CC(=O)N1c1ccccc1 5452089 VVKDLOOBOUUOGU-RUZDIDTESA-N 399.494 4.332 10 40 GICB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1C(=O)c1cccc([N+](=O)[O-])c1 33706990 APBKBYILHLJBBK-MBXCTOFRSA-N 396.449 4.193 10 40 GICB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(OC)cc3OC)S2)cc1 35644564 KDLXNFHEIVBNPL-WOJGMQOQSA-N 384.457 4.185 10 40 GICB COCCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085841 WJYCGQNEYKEMBY-UHFFFAOYSA-N 381.501 4.236 10 40 GICB COc1ccc2c(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c[nH]c2c1 54360764 LOZOOALSMZHYEU-IUXPMGMMSA-N 382.466 4.288 10 40 GICB CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)NC(C)(C)C)C2=O)cc1 4746553 GAKQKZYEKPWESX-SSZFMOIBSA-N 390.574 4.145 10 40 GICB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 225837895 FVDPLTBBYSISII-AWEZNQCLSA-N 375.925 4.224 10 40 GICB CCOc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OC)cc2OC)S1 33341806 ZBROEIIVLFJCPQ-WOJGMQOQSA-N 384.457 4.185 10 40 GICB COc1ccc(NC2=NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c(OC)c1 35043107 AVLZDIZZAPWNID-GRSHGNNSSA-N 393.468 4.278 10 40 GICB CN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 61002264 BDBZRQVRHIFITB-NTUHNPAUSA-N 380.834 4.339 10 40 GICB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 222793367 BABMLWYFLSQEGM-SFHVURJKSA-N 382.504 4.188 10 40 GICB Oc1c(CN2CCN(c3ccccc3)CC2)cc(Br)c2cccnc12 1707109 CMIBCLNTDXWVDH-UHFFFAOYSA-N 398.304 4.025 10 40 GICB in-vitro CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 2801638 YUZYHESLAVYEMF-BOPFTXTBSA-N 399.493 4.102 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3399945 PEGWCCJTLGWXPM-UHFFFAOYSA-N 388.467 4.378 10 40 GICB CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)SC1=S 4499181 AUJZLZCPMUGCDL-NTUHNPAUSA-N 380.834 4.339 10 40 GICB Cc1cc(C(=O)NCc2ccc(NC(N)=O)cc2)c(C)n1-c1cccc(Cl)c1 48361892 HHLOWVDUEBFFDM-UHFFFAOYSA-N 396.878 4.168 10 40 GICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(SC)cc1 58884029 RRYFDVIAZZQPCO-UNOMPAQXSA-N 395.480 4.294 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(O)=NC2=S)c(C)c1 59138549 MQXCCPHIPVLFDU-FOWTUZBSSA-N 395.484 4.168 10 40 GICB CCn1c(-c2ccc(Br)cc2)cnc1SCC(=O)N1CCCC1 7124521 RDXQTPBXFWZMAQ-UHFFFAOYSA-N 394.338 4.047 10 40 GICB Cc1ccsc1/C=C1\SC(=S)N(Cc2ccc3c(c2)OCO3)C1=O 13713711 MYPSPWPACOZACJ-CHHVJCJISA-N 375.496 4.187 10 40 GICB Cc1ccc(Sc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)o2)cc1 17057299 FUTXMERIQQASRF-QGOAFFKASA-N 376.437 4.201 10 40 GICB CCOC(=O)Cc1cc2c(n1-c1ccc(OC(F)(F)F)cc1)C[C@H](C)CC2=O 3135544 FSRKABDFQQBHNA-LBPRGKRZSA-N 395.377 4.247 10 40 GICB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 5003618 HJWLDXYEOZUPBN-FQEVSTJZSA-N 387.524 4.284 10 40 GICB COc1ccc(N2CCN(C(=O)c3c(C)c4cc(Cl)ccc4n3C)CC2)cc1 9264138 RXMUFKTTWVCULD-UHFFFAOYSA-N 397.906 4.111 10 40 GICB Cc1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)c2C)c1 408759906 NTALNTJWFCZTLE-KGENOOAVSA-N 399.450 4.069 10 40 GICB CCOC(=O)c1c(CSc2ccccn2)oc2ccc(O)c(CN(C)C)c12 1083556 BWZNBLSTJQOOFX-UHFFFAOYSA-N 386.473 4.064 10 40 GICB COc1cc(Br)cc(CNc2ccc(Cl)c([N+](=O)[O-])c2)c1O 1085091 HZQBLWFHQMCNEC-UHFFFAOYSA-N 387.617 4.337 10 40 GICB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc2c1C(=O)c1ccccc1C2=O 4079275 UPMBUWKPBBGJHE-JLHYYAGUSA-N 398.374 4.022 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)c1OC 2358759 LBZGBORYVHGXHU-XNTDXEJSSA-N 375.446 4.249 10 40 GICB COc1ccc(NC2=NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c(OC)c1 5376649 AVLZDIZZAPWNID-VXLYETTFSA-N 393.468 4.278 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/[C@@H]3CC=CCC3)SC2=S)cc1OC 6007210 WABBBGADLAEADC-VVTMIQRTSA-N 389.542 4.347 10 40 GICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Br)cn1 13575885 XMBAEISXLNWFDL-ZROIWOOFSA-N 391.656 4.216 10 40 GICB COc1ccc(-c2coc3c(CN4CCC[C@@H](C)C4)c(O)ccc3c2=O)cc1 20411250 KOPBLZZKBBVHNB-OAHLLOKOSA-N 379.456 4.406 10 40 GICB biogenic CCN1C(=O)/C(=C/c2cc(Br)cc(Cl)c2O)SC1=S 2188998 DRSZQEHYVJQSCA-WTKPLQERSA-N 378.700 4.029 10 40 GICB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C/c2cccc3ccccc23)C1=O 4472008 UQILXKCQPYZRJX-WQRHYEAKSA-N 390.826 4.468 10 40 GICB CCCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 2084469 SZCVCLMCEZOIJB-OLZOCXBDSA-N 393.505 4.023 10 40 GICB CCn1cc(/C=C2/C(=O)N(Cc3ccccc3)C(=S)N=C2O)c2ccccc21 2371879 PQMPSPMUIGTPDM-LDADJPATSA-N 389.480 4.328 10 40 GICB COc1ccccc1N/C=C1\C(=O)N(c2ccc(Br)cc2)N=C1C 5433570 UHRRVFPLEHMKQE-PTNGSMBKSA-N 386.249 4.176 10 40 GICB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S 54360602 AFPOCWRIFSKKEV-MLJKTZRHSA-N 391.445 4.150 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)C(O)=NC1=S 2409116 NSHOCVCLIRSZMM-MHWRWJLKSA-N 387.892 4.234 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccccc2F)C(=S)N=C1O 4823213 JIFZTCZBZSDGPD-GXDHUFHOSA-N 379.416 4.287 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 5516143 UIJNRPRXXUUWQG-OVDNTTTISA-N 397.891 4.387 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 6709566 APKQJBOUZPCYIL-JEGSZOCCSA-N 395.463 4.262 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)Cc3cccs3)N3CCCCC3)ccc21 9137564 XDKFDAGBBZDWGD-QFIPXVFZSA-N 397.588 4.016 10 40 GICB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 35040286 QPFCWINSJNIKRQ-LICLKQGHSA-N 397.477 4.082 10 40 GICB O=C(Nc1cccc2cnccc12)N(Cc1ccccc1O)C[C@H]1CCCO1 47325359 XOPXUTMKELPGCV-GOSISDBHSA-N 377.444 4.154 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)cc1 409002641 VVKZXAZQURMYSM-PDGQHHTCSA-N 383.831 4.313 10 40 GICB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12413076 PYVRTTHQRUCCBV-UVTDQMKNSA-N 383.389 4.022 10 40 GICB O=C(NCc1ccc(N2CCOCC2)cc1)c1cc2c(ccc3ccccc32)o1 13671297 KMAHWLORBAVSMV-UHFFFAOYSA-N 386.451 4.353 10 40 GICB Oc1c([C@@H](c2ccccn2)N2CCN(c3ccccc3)CC2)ccc2cccnc12 20192739 AYIKXKPLKBCPFA-DEOSSOPVSA-N 396.494 4.247 10 40 GICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc2c(c1)OCCCO2 24207951 IPFQPIADALNOJL-UHFFFAOYSA-N 380.488 4.110 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)cc1 97999114 HZYRAOIKLLGPSR-PDGQHHTCSA-N 383.494 4.426 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408792547 AVBVPKVFJSTWMQ-HKWRFOASSA-N 376.456 4.020 10 40 GICB CCCN1C(=O)/C(=C\c2ccc(OCC)c(Br)c2)SC1=S 409338044 BZJZAPFLVBJCCJ-UKTHLTGXSA-N 386.336 4.459 10 40 GICB Cc1cc(N[C@@H](c2cccc([N+](=O)[O-])c2)c2ccc3cccnc3c2O)no1 946887 IMWNEYJBYYRRFU-SFHVURJKSA-N 376.372 4.347 10 40 GICB COc1cc([C@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 4959408 SYIBZGJJUGLAAE-BXTJHSDWSA-N 382.416 4.447 10 40 GICB COC(=O)C1=C(C)NC(=O)/C1=C\c1cc(C)n(-c2ccc(C)c(Cl)c2)c1C 14009504 QLYAEKAVCZYZRC-MFOYZWKCSA-N 384.863 4.016 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)C(O)=NC2=S)cc1 38172659 BJLKWDJDGWGLFO-GZTJUZNOSA-N 375.453 4.402 10 40 GICB O=C1/C(=C\c2ccc(O)c(O)c2)SC(=S)N1c1ccc(F)c(Cl)c1 409179259 QHDYTUFEOKDXBB-MKMNVTDBSA-N 381.837 4.296 10 40 GICB Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)NCc1ccccc1 5182512 JIVPNTQRPMTLEM-UHFFFAOYSA-N 378.472 4.363 10 40 GICB Cc1cc(O)c(Cl)c(C)c1NS(=O)(=O)c1ccc(Br)cc1 1062879 LPSGNTZMWNZQIS-UHFFFAOYSA-N 390.686 4.226 10 40 GICB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 9137953 ZRERIJIHZPCICT-MFVBVHDHSA-N 394.427 4.421 10 40 GICB COc1ccccc1N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1 15343348 AYCJHXHDDZMMJF-UHFFFAOYSA-N 389.499 4.065 10 40 GICB CCN1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC1=S 17015957 STNLLAJXIDBUTL-FOWTUZBSSA-N 375.453 4.322 10 40 GICB COc1ccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)c(O)c1 36740535 SOPMXGITNUNKHO-UHFFFAOYSA-N 383.536 4.107 10 40 GICB Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2CC(C)C)s1 11283090 CKLMYNONZRABSJ-UHFFFAOYSA-N 387.534 4.097 10 40 GICB COc1cc(/C=C2\SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 12418899 UESDVULPXDTZTF-DHDCSXOGSA-N 391.901 4.416 10 40 GICB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cc([N+](=O)[O-])ccc3C)C2=O)cc1 112120522 IUUJNHQCGVGDFA-UYRXBGFRSA-N 380.404 4.020 10 40 GICB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccc4c(c3)OCO4)cc2)C1 260504041 CDMRMQPAXXTGJQ-ROUUACIJSA-N 394.515 4.462 10 40 GICB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\Nc1ccc(O)cc1 408527236 DAWIVSKMKHEZAB-YBEGLDIGSA-N 386.249 4.182 10 40 GICB CCCN(CCC)c1ccc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc1 4063522 RSGOPVKLWWJKAU-ZHZULCJRSA-N 397.906 4.428 10 40 GICB CCc1ccccc1N1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S 5552061 MEWSJYHTZDAOBV-MSUUIHNZSA-N 380.494 4.001 10 40 GICB Cc1ccc(N2C=C(C(=O)N3CCC(C)CC3)S(=O)(=O)c3ccccc32)cc1 44169806 MUYJKFIOTNTCIW-UHFFFAOYSA-N 396.512 4.020 10 40 GICB COc1cc(C)c(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1C(C)C 408785243 VHYGOYKXHZZCEF-XDHOZWIPSA-N 392.455 4.102 10 40 GICB CCCN1C(=O)/C(=C\c2ccc(Cl)s2)C(=O)N(c2ccccc2)C1=S 409023177 XIAFAVGYMBLDCZ-SDNWHVSQSA-N 390.917 4.355 10 40 GICB CC[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409098920 RJKJTUGTBULLLE-FHXOWUIVSA-N 390.505 4.139 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1O 5373404 CFMPKQVNTIIUEH-AUWJEWJLSA-N 391.857 4.150 10 40 GICB Cc1ccccc1C(=O)NC[C@@H](c1ccc2c(c1)CCCN2C)N1CCCCC1 9137333 WBEHQHXJGUQMLM-DEOSSOPVSA-N 391.559 4.334 10 40 GICB COc1cc2c(cc1NCC(=O)NCCc1cccs1)oc1ccccc12 24224170 LMYADQMZLUGYGG-UHFFFAOYSA-N 380.469 4.427 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)NCC(=O)Nc2cccc3cccnc23)cc1 25052776 DPLHMBOTKVMPFE-UHFFFAOYSA-N 398.466 4.011 10 40 GICB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)C(=N)N12 103563344 GOYFBRRFQZPJQE-PRZRADHTSA-N 380.448 4.400 10 40 GICB COc1ccc(/C=C2\SC(=S)NC2=O)cc1OCc1ccc(Cl)cc1 1024257 HAKWHYMIVPBZFS-SXGWCWSVSA-N 391.901 4.416 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1C(=O)O 5373396 XISOPCLRHDSUSI-YVLHZVERSA-N 398.509 4.165 10 40 GICB COc1ccccc1N1CCN(Cc2cc3c(cc2O)[nH]c2ccccc23)CC1 57331675 NPSFYLDDEJUDAI-UHFFFAOYSA-N 387.483 4.358 10 40 GICB COc1ccc(Cn2cnc(-c3ccc(/N=N/N(C)C)cc3)c2)cc1[N+](=O)[O-] 721654 SOMRNLAUFHYNFT-QURGRASLSA-N 380.408 4.076 10 40 GICB Cc1ccc(N2CCN(c3ccc(C)cc3)C23C(=O)c2ccccc2C3=O)cc1 3634734 PHQMGBQQKRZQHC-UHFFFAOYSA-N 382.463 4.406 10 40 GICB O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1cc([N+](=O)[O-])ccc1O 4248208 UAXQIWPVIUPJAN-AWEZNQCLSA-N 399.453 4.415 10 40 GICB C/C(NCCC(C)C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 4679126 VNONHBKJXQVIFC-SDNWHVSQSA-N 396.438 4.471 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 5516561 PUUBJBUYUXGOBF-RPKGUNMRSA-N 377.473 4.042 10 40 GICB COCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccco2)ccc1OC 6490510 IBIFDRYOVAAJIB-XMHGGMMESA-N 388.423 4.269 10 40 GICB CC1(C)Cc2ccccc2/C(=C(\N=N\c2ccc(Br)cc2)C(N)=O)N1 101078092 BNBOUMIJPUPSKC-IFNFSJRCSA-N 399.292 4.311 10 40 GICB COc1ccc(C(=O)N2N=C(c3cccs3)C[C@H]2c2ccccc2O)cc1 4942346 XBNKTPIKADMMHV-SFHVURJKSA-N 378.453 4.454 10 40 GICB CCOC(=O)c1c(C)nc2c(c1-c1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1-2 16683058 BJSKPTIMDVAYEI-UHFFFAOYSA-N 388.379 4.353 10 40 GICB CCCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)SC1=S 59418269 OWBQKNBTWDOUPD-UKTHLTGXSA-N 385.352 4.126 10 40 GICB Cc1ccc(N2C[C@@](O)(c3ccc(Cl)cc3Cl)[N+]3=C2SCCC3)cc1 4086735 XREWPQOUPJHFCM-LJQANCHMSA-N 394.347 4.473 10 40 GICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)c(Cl)c2)C1=O 6479395 XYCCDFBSHNHZPT-XNTDXEJSSA-N 398.846 4.102 10 40 GICB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)c1 10214061 POGDTNJWGCRLGN-IBGZPJMESA-N 397.906 4.319 10 40 GICB COc1ccc(N2CCN(C(=O)c3oc4ccc(Cl)cc4c3C)CC2)cc1 27662841 AWZLUHHQWXBONK-UHFFFAOYSA-N 384.863 4.366 10 40 GICB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)c1 408708092 OBVFAWDMACVGSU-IBGZPJMESA-N 387.483 4.394 10 40 GICB C[C@H]1C[C@@H](C)CN(C2CCN(Cc3cc(Br)ccc3O)CC2)C1 2734632 YDICPMBHHWNYNB-GASCZTMLSA-N 381.358 4.097 10 40 GICB CN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 8969370 XCCRDJFYBUQOPI-LICLKQGHSA-N 393.830 4.275 10 40 GICB CN1CCc2cc([C@H](CNC(=O)c3cccc(Cl)c3)N3CCCCC3)ccc21 13007765 QLIDKIKRCDRKSB-QFIPXVFZSA-N 397.950 4.289 10 40 GICB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccccc3)CC2)cc1 57175517 BUBZKCSFTWMVFK-UHFFFAOYSA-N 379.548 4.061 10 40 GICB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 222793510 RXUBOCRQFCAMKE-MSOLQXFVSA-N 382.504 4.188 10 40 GICB CC(=O)NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)S1 5851026 YYOSLYNLDCAARF-LICLKQGHSA-N 386.860 4.025 10 40 GICB COC(=O)c1ccc([C@@H]2Nc3c(ccc(C(=O)OC)c3C)[C@H]3C=CC[C@@H]32)cc1 6960497 NKOWDBNVUZTKNG-WFXMLNOXSA-N 377.440 4.395 10 40 GICB COc1ccc(NC(=O)CSc2nc3cc(F)c(F)cc3[nH]2)cc1Cl 25062528 VTEMEIOFKAFDNU-UHFFFAOYSA-N 383.807 4.234 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3ccccc3C)C2=O)c1 408960783 IXOJHZVJIOFSOG-XSFVSMFZSA-N 399.450 4.069 10 40 GICB CCC(=O)N[C@@H](c1ccccc1Cl)c1cc([N+](=O)[O-])c2cccnc2c1O 4684871 WFKSFBVFFZAAHH-KRWDZBQOSA-N 385.807 4.118 10 40 GICB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc2c(c1)OCO2)C3 5516185 NVBAGYDHDKKIDG-UHFFFAOYSA-N 399.830 4.484 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 8656759 JZVYLMUZMBGIOP-ZROIWOOFSA-N 386.205 4.163 10 40 GICB COc1ccc(C2=C/C(=C\c3ccc(OC)c(Br)c3)C(=O)O2)cc1 33409600 KFECPIWAIDEXMO-NTEUORMPSA-N 387.229 4.448 10 40 GICB COc1ccc(Cl)cc1S(=O)(=O)Nc1nc(-c2ccccc2)cs1 170552779 YATCOQUXUCTPKH-UHFFFAOYSA-N 380.878 4.273 10 40 GICB Cc1ccccc1COc1ccccc1/C=C1/C(=O)NN(c2ccccc2)C1=O 13893359 IXJATWTYUVZKHX-QNGOZBTKSA-N 384.435 4.035 10 40 GICB CN(C)c1ccc(C=C2C(=O)N(c3ccccc3)N(c3ccccc3)C2=O)cc1 1858302 OZJUNQHTXXJTFU-UHFFFAOYSA-N 383.451 4.131 10 40 GICB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(N3CCCC3)cc2F)S1 260775051 OZHHLQRZIWMION-JSNMRZPZSA-N 382.508 4.410 10 40 GICB COc1cc(/C=C2/SC(=S)NC2=O)cc(Cl)c1OCc1ccccc1 997278 UESDVULPXDTZTF-OQLLNIDSSA-N 391.901 4.416 10 40 GICB O=c1oc2c3c(ccc2c2ccccc12)OCN(c1ccc2c(c1)OCCO2)C3 2158971 SRGMPVZLTIIYHR-UHFFFAOYSA-N 387.391 4.074 10 40 GICB biogenic Cc1ccc(-n2c(C)cc(C(=O)Cn3ncc(Cl)c(Cl)c3=O)c2C)cc1 10211851 AEQPSCYTRVSVJO-UHFFFAOYSA-N 390.270 4.149 10 40 GICB COc1ccc(NC2=NC(=O)/C(=C\c3c[nH]c4ccccc34)S2)c(OC)c1 18211164 GIEMHJJSKSEOLV-GIJQJNRQSA-N 379.441 4.268 10 40 GICB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 1276539 QIFGRSCSSPOLSQ-SDQBBNPISA-N 390.313 4.146 10 40 GICB Cc1ccc(OCCOc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1C 4549669 MXZXJXQWHUCHTD-PDGQHHTCSA-N 385.510 4.250 10 40 GICB O=C(O)Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 16930600 YUTGZZNFKRRCDS-YVLHZVERSA-N 394.477 4.201 10 40 GICB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc4c(c3)OCO4)cc2)C1 222653335 CDMRMQPAXXTGJQ-QZTJIDSGSA-N 394.515 4.462 10 40 GICB O=C(O)c1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 408758704 PMNKKJFTMIVKBD-XSFVSMFZSA-N 386.382 4.358 10 40 GICB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(N4CCCCC4)cc3C)C2=O)cc1 409225290 KHXPIPUQLKBPEL-PXLXIMEGSA-N 389.499 4.387 10 40 GICB C[C@@H]1Cc2cc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 2241717 VPEHQDFEVBNRNX-NFECSFHCSA-N 381.522 4.454 10 40 GICB CC(/C=C1\SC(=S)N(NC(=O)c2ccccc2C)C1=O)=C\c1ccccc1 5214145 VCNPRSNVRDYLPB-COVZNBLNSA-N 394.521 4.488 10 40 GICB aggregator CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 6246734 NYQGGYHYWJUSDO-UHFFFAOYSA-N 381.403 4.477 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c(OC)c1 35040364 XQUAVVQIEXWVDI-CXUHLZMHSA-N 375.446 4.249 10 40 GICB COc1ccc(O)c(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)c1 36740536 INBSYALUAZSWPG-UHFFFAOYSA-N 383.536 4.107 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 222781802 APGOAGLBNPYBLT-SFTDATJTSA-N 376.529 4.482 10 40 GICB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)ccc1F 225608346 XQLVQHIHCFUYDR-MRXNPFEDSA-N 376.497 4.164 10 40 GICB CCCC[C@@H](NCc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1O)C(=O)O 4540339 JAMZPQVTHJISEL-GOSISDBHSA-N 395.455 4.207 10 40 GICB O=C(O)c1ccccc1C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O 4546247 ZHGXLDPTDDKQEI-HXUWFJFHSA-N 386.407 4.082 10 40 GICB C[C@@H]1CC(=O)N[C@@]2(/C=C/c3ccc(N(C)C)cc3)N1c1ccccc1C2(C)C 4621073 QDLUIPKHEOLEDQ-GFLSLHFZSA-N 375.516 4.168 10 40 GICB CCOc1cccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)c1O 13992722 CUUMWAUYXHBFNO-UHFFFAOYSA-N 397.563 4.497 10 40 GICB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1OC 217879800 SAFIEBZLHUHODZ-IAGOWNOFSA-N 382.504 4.431 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3cccc(OC)c3OC)SC2=S)cc1 2255218 UKUHNVOJIRUYLL-WJDWOHSUSA-N 387.482 4.118 10 40 GICB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccc(C)cc2)cc(O)c1O 7884015 GKROTNSZMDPZIO-QFIPXVFZSA-N 390.439 4.182 10 40 GICB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccccc1Br 8617089 VYNNIFMTEAJZLR-JYRVWZFOSA-N 377.288 4.250 10 40 GICB C[C@@]12C=C[C@@H](O1)[C@H](C(=O)O)[C@H]2C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 409377031 FKUXOZIERMKEPF-BZOXLCJYSA-N 377.400 4.085 10 40 GICB CC[C@@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 5370750 RSLNWKWZIIRYLC-LBFFYKKLSA-N 392.546 4.052 10 40 GICB CC[C@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3)o2)SC1=S 5487151 PMYJYKNSGDLDRZ-DWKHYPNZSA-N 387.482 4.319 10 40 GICB COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc(Cl)cc1Cl 660046 SSQYSHIZUOGRGU-NVNXTCNLSA-N 392.238 4.459 10 40 GICB CC(=O)Nc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 2696945 BEJFDYGEELBTJF-JOCHJYFZSA-N 384.439 4.495 10 40 GICB Cn1c(-c2ccccc2)cnc1SCc1nc2sc3c(c2c(=O)[nH]1)CCC3 5175064 HUPTUZXHLRGMBD-UHFFFAOYSA-N 394.525 4.166 10 40 GICB COC(=O)c1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 13816203 DGFMSPNSKHGNIQ-NRFANRHFSA-N 385.423 4.324 10 40 GICB N=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N=C2SC=NN12 33458352 MKKBXRHHMNSWTJ-UZIRPGAUSA-N 388.861 4.333 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C\c1c(Cl)cccc1N1CCCC1 98053255 IVIBWPBBHZKYLG-LGMDPLHJSA-N 375.925 4.396 10 40 GICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)c(C)n1C1CCCC1 408775382 GGKNDRCUPOMTSM-SFQUDFHCSA-N 395.434 4.026 10 40 GICB Cc1ccc(O)c(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(C)CC2)c1 10214065 POGDTNJWGCRLGN-LJQANCHMSA-N 397.906 4.319 10 40 GICB Oc1ccc(O)c(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccncc2)c1 102829019 LJOPNTQDYQLILI-RXVVDRJESA-N 393.830 4.389 10 40 GICB Nc1nn2c(C(F)(F)F)cc(=O)[nH]c2c1/N=N/c1cc(Cl)ccc1Cl 5530698 NSHMHPZEQJHCRJ-QURGRASLSA-N 391.140 4.346 10 40 GICB Cc1ccc(-n2c(C)cc(/C=c3/sc4nc5ccccc5n4c3=O)c2C)cc1C 15011984 ZUAFBVFVBNGDKV-LPYMAVHISA-N 399.519 4.481 10 40 GICB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)cc1 17180738 XCCDPJCSSHMRJE-AQTBWJFISA-N 397.475 4.344 10 40 GICB Cc1ccccc1COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 19799316 LUGMQDAPADGPMR-JCMHNJIXSA-N 384.435 4.035 10 40 GICB COc1ccc(-c2c(C)oc3c(CN4CCCC4)c(O)ccc3c2=O)cc1OC 20411321 YXWMQHQHHDGNHI-UHFFFAOYSA-N 395.455 4.087 10 40 GICB biogenic Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)n1-c1ccccc1F 32800841 NUWVSIWPWIRSLH-FQEVSTJZSA-N 385.508 4.327 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 35038887 DDLDDCWPZUCKBN-QGOAFFKASA-N 385.510 4.148 10 40 GICB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 225424902 GUIQFNPCVCCPOI-UHFFFAOYSA-N 397.544 4.259 10 40 GICB Cc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)c1 408803086 LDWHULKDDFAXJI-MHWRWJLKSA-N 398.846 4.102 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3cccc(F)c3)N3CCCCC3)ccc21 9137614 LLHZZQJHNYTHNM-QHCPKHFHSA-N 395.522 4.165 10 40 GICB COC(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 16292323 SJPIEHLJSAEHGH-BOPFTXTBSA-N 383.494 4.183 10 40 GICB CC1(C)Cc2ccccc2/C(=C(\N=N/c2ccc(Br)cc2)C(N)=O)N1 104833532 BNBOUMIJPUPSKC-KNGPGTPUSA-N 399.292 4.311 10 40 GICB Cc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)c(C)n1-c1ccc(C(C)C)cc1 409130143 LWFPZAZXVVNHJZ-VCHYOVAHSA-N 398.484 4.338 10 40 GICB NC(=O)C1CCN(C(=S)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 409206126 VHBNKCXHVFAVOS-UHFFFAOYSA-N 383.300 4.126 10 40 GICB CN(Cc1ccccc1)C1CCN(Cc2cc(Br)ccc2O)CC1 2493230 QZUYQXFBUVYYBM-UHFFFAOYSA-N 389.337 4.251 10 40 GICB CCN(CC)c1ccc2c(c1)OC(=O)N[C@]2(c1ccc(OC)cc1)C(F)(F)F 3164057 MZSLQGPWGPDIPI-IBGZPJMESA-N 394.393 4.449 10 40 GICB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ccc(N2CCCCC2)nc1 223952197 UPTHJWXGJGWEND-UHFFFAOYSA-N 395.576 4.159 10 40 GICB O=C1/C(=C\c2cccc(F)c2)SC(=S)N1CNc1cccc([N+](=O)[O-])c1 408822343 LUWMLBJCBCXKOU-OVCLIPMQSA-N 389.433 4.005 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 7423729 PSMVRLNXFNUKCS-UHFFFAOYSA-N 387.892 4.480 10 40 GICB COc1ccccc1/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)N=C1O 9088599 PHDPEXQJNLIORO-NTEUORMPSA-N 390.317 4.221 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(O)=NC2=S)cc1C 59138553 KXICBMYDWFLBBZ-SFQUDFHCSA-N 395.484 4.168 10 40 GICB COC(=O)C1=C(C)N(c2cccc(OC)c2)C(=O)/C1=C\c1ccc(Cl)cc1 59566376 BJQLBROJQHJETO-WQRHYEAKSA-N 383.831 4.226 10 40 GICB COc1ccc(N/C=C2/C(=O)N(c3ccc(Br)cc3)N=C2C)cc1 101129608 WGEPVOHYMOAYLC-GZTJUZNOSA-N 386.249 4.176 10 40 GICB COc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 408837984 QBQBETHMXSUFAR-SIFCLUCFSA-N 380.400 4.437 10 40 GICB CCOc1ccccc1/C=C1\SC(=S)N(CCOc2ccccc2)C1=O 9188768 MDGHNQUQNMYWDC-JXAWBTAJSA-N 385.510 4.366 10 40 GICB COc1cc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc(OC)c1OC 13898736 WCHUOQLZLLEQSH-LFIBNONCSA-N 393.530 4.246 10 40 GICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 17081393 WVLMTVTWZDLEKJ-ZHZULCJRSA-N 397.862 4.300 10 40 GICB Cc1cccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3ccccc3O)C2)c1 95115934 OEPLUODREPWPEB-OAQYLSRUSA-N 392.480 4.241 10 40 GICB COc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1 1216415 UNCSTXORGBARFG-NRFANRHFSA-N 384.435 4.468 10 40 GICB Cn1c(-c2ccccc2)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21 5615891 ZDMLCLKYFSVPGK-PGMHBOJBSA-N 393.446 4.307 10 40 GICB CN(C)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(F)cc2)cc1 6804315 FETBUYZLIXFJEQ-UHFFFAOYSA-N 382.435 4.093 10 40 GICB aggregator O=C1N=C(O)/C(=C/c2cccc3ccccc23)C(=O)N1c1cccc([N+](=O)[O-])c1 1173971 PNDHZVVLKBBGLP-WQRHYEAKSA-N 387.351 4.255 10 40 GICB CN1C(=O)C(=Cc2c3oc4ccccc4cc-3c3ccccc23)C(=O)N(C)C1=O 3281038 NRUURJICKKWUDJ-UHFFFAOYSA-N 384.391 4.125 10 40 GICB O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4ccccc4)CC3)o2)c1 4063190 BYMZMMJFQWMDLJ-UHFFFAOYSA-N 393.468 4.353 10 40 GICB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CC(=O)Nc1ccccc1 6811725 CBHQLCABGPPLCT-UHFFFAOYSA-N 382.847 4.464 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3ccc(Cl)cc3)N3CCCC3)ccc21 16838194 DMIFBVOJZLHIOS-QFIPXVFZSA-N 397.950 4.289 10 40 GICB N=C1/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N=C2SC=CN12 20210817 ZUODXHKUGKQDPD-WOSMYTDYSA-N 399.273 4.017 10 40 GICB CN(Cc1ccc(N(C)C)cc1)C(=O)CCC(=O)c1ccc2c(c1)CCCC2 23745196 VGEGZRZFWXTEGE-UHFFFAOYSA-N 378.516 4.253 10 40 GICB COc1ccc(C(=O)N2c3cc(CN(C)C)c(O)cc3C(C)=CC2(C)C)cc1 70666568 DHASOEQIGQRIQL-UHFFFAOYSA-N 380.488 4.305 10 40 GICB biogenic C[C@H]1Cc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 16810421 VPEHQDFEVBNRNX-QIQQCEGHSA-N 381.522 4.454 10 40 GICB CCOc1cc(/C=C2/SC(N3CCCCC3)=NC2=O)ccc1OC(F)F 96399825 XEHBKJVMBYWBSN-RVDMUPIBSA-N 382.432 4.143 10 40 GICB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 222593607 OZHHLQRZIWMION-KPOBHBOGSA-N 382.508 4.410 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccn3-c3cccc(C)c3C)C2=O)cc1 408961195 LFIPVRIGVTYKDB-XSFVSMFZSA-N 399.450 4.069 10 40 GICB CC(C)c1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)C(=O)N=C2O)cc1 1202520 IIUCPGKIHZLNOJ-XDHOZWIPSA-N 387.439 4.173 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1 5371380 PPSYSROMLBSNEP-WQRHYEAKSA-N 399.493 4.312 10 40 GICB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214102 AVGHBEFAWAZLFK-IBGZPJMESA-N 397.906 4.401 10 40 GICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(\C)NCCc1cccs1 12412686 NUNQXANAOFBSRA-SFQUDFHCSA-N 382.514 4.187 10 40 GICB COc1cccc(-n2c(C)cc(C(=O)Nc3cccc(NC(C)=O)c3)c2C)c1 40069515 CBYPLDBMTXVIAD-UHFFFAOYSA-N 377.444 4.313 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)cc1 54361125 SQRPXCQCGHHJES-YVLHZVERSA-N 379.466 4.044 10 40 GICB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@H]1CC=C[C@H]21 4959481 PHGUIQBXOQJKPJ-ABSDTBQOSA-N 377.440 4.476 10 40 GICB C[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(N(C)C)cc1)c1ccccn1 28288285 PLJWWFIRBMXWOS-QGZVFWFLSA-N 393.462 4.287 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)cc1 35648261 IWEHWFZYUQDNHV-CXUHLZMHSA-N 385.466 4.108 10 40 GICB COc1ccc(CCn2c3c(c4ccccc4c2=O)C(=O)c2ccccc2-3)cc1 604405486 OSOVQCCVDNDYRH-UHFFFAOYSA-N 381.431 4.464 10 40 GICB biogenic O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 4425555 UREWGGZALVYKNF-BAAYTWLHSA-N 389.885 4.367 10 40 GICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(F)cc1 6348252 OMLJOTVUQUGFJI-DHDCSXOGSA-N 389.785 4.495 10 40 GICB C/C(NCCCOC(C)C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112119628 OXTOYXLEDOMYKO-UZYVYHOESA-N 377.488 4.116 10 40 GICB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)NCc2ccco2)cc1 112121983 DDOCROWRALKDOE-PGMHBOJBSA-N 387.439 4.103 10 40 GICB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)c3ccc4c(c3)OCCO4)cc2)C1 260905928 TXFXIHTUYKUYAF-IRXDYDNUSA-N 380.488 4.185 10 40 GICB COc1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 2646378 MURZKGKANGDTIH-UHFFFAOYSA-N 396.418 4.037 10 40 GICB CC(=O)c1ccccc1NC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C 3279957 PCPMUHDBWKWHAX-UHFFFAOYSA-N 390.439 4.092 10 40 GICB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2O)N3)C1 17083553 HSCXIOBLWYERFL-AYVTZFPOSA-N 393.306 4.195 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)cc1C 38188246 UHAQOCCCFIDCJN-LICLKQGHSA-N 380.469 4.297 10 40 GICB CC[N+](CC)(CC)CCOc1ccc(N(C)CC[N+](CC)(CC)CC)cc1 5333411 AFMMSECPBHTMKQ-UHFFFAOYSA-N 379.633 4.255 10 40 GICB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408814981 SRIRFKFMPNFHLE-CHHVJCJISA-N 391.836 4.322 10 40 GICB Cc1ccccc1N1C[C@](O)(c2ccc(Cl)cc2Cl)[N+]2=C1SCCC2 4086809 SKODYFYKOSKIRW-IBGZPJMESA-N 394.347 4.473 10 40 GICB O=C(O)c1cc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)ccc1O 5374190 IJLPEHLULZTIAV-AUWJEWJLSA-N 391.857 4.150 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C\c1c[nH]c2ccc(Br)cc12 26770326 LDLWTAHQECXGMH-NVNXTCNLSA-N 390.306 4.387 10 40 GICB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCc3cc(OC(F)F)ccc32)c1C 84005457 CTDPCEGQUODMAW-ZDUSSCGKSA-N 390.430 4.460 10 40 GICB Cc1cc(C)c(C(=O)Nc2ccc(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1 4551247 YUVQDRJCFHOKFD-UHFFFAOYSA-N 384.435 4.222 10 40 GICB Cn1c(-c2ccccc2)cnc1SCC(=O)NCCc1c[nH]c2ccccc12 7211264 UBQGYZMAIUINET-UHFFFAOYSA-N 390.512 4.019 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1 409239156 GRXXXOSBFUYMJA-CPNJWEJPSA-N 394.496 4.040 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1Cl 4514361 YFXRZDLTLYEHBE-CPNJWEJPSA-N 381.863 4.033 10 40 GICB Cc1ccc(N2CC(=O)N(c3ccccc3)[C@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413066 PYSJKJQOQIRJGE-XMMPIXPASA-N 399.494 4.182 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1 59435717 HXLMIIZGIVFYTJ-BOPFTXTBSA-N 398.802 4.125 10 40 GICB CCn1cc(/C=C2\C(=O)N(c3cccc(OC)c3)C(=O)N=C2O)c2ccccc21 103126816 QVDOMVHKIGHKQI-WQRHYEAKSA-N 389.411 4.177 10 40 GICB Cc1ccccc1N1C[C@@](O)(c2ccc(C(C)(C)C)cc2)[N+]2=C1SCCC2 3226875 IDPQXBQNOWPVKQ-HSZRJFAPSA-N 381.565 4.463 10 40 GICB Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)cc1 9137950 GQPQTZPGNVOOTB-XMMPIXPASA-N 391.559 4.334 10 40 GICB CC(/C=C1\SC(=S)N([C@H](CC(C)C)C(=O)O)C1=O)=C\c1ccccc1 16935132 XJFJSBILOPBQJB-WYVNVFRPSA-N 375.515 4.333 10 40 GICB CN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC1=S 48263019 BDBZRQVRHIFITB-QPEQYQDCSA-N 380.834 4.339 10 40 GICB Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 58865549 SWNONUDKLHMJPH-UHFFFAOYSA-N 397.383 4.307 10 40 GICB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC 260466398 SAFIEBZLHUHODZ-IRXDYDNUSA-N 382.504 4.431 10 40 GICB O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1ccccc1 5524062 MQOZYIXXGSYWKN-QGOAFFKASA-N 390.489 4.386 10 40 GICB Cc1c(C)c2cc(Cl)c(O)c(CNC3CC(C)(C)NC(C)(C)C3)c2oc1=O 6759521 GZLRMPXQPVESGY-UHFFFAOYSA-N 392.927 4.168 10 40 GICB Cc1cc(/C=C2\C(=O)NC(=O)N=C2O)c(C)n1-c1ccc(-c2ccccc2)cc1 8743044 WNJONLIYGJXNFC-UHFFFAOYSA-N 385.423 4.351 10 40 GICB COc1ccc2c(c1)c(/C=C1/SC(=S)N(Cc3ccco3)C1=O)c(C)n2C 13735008 KHHLIRLWGTUOAK-VCHYOVAHSA-N 398.509 4.490 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 14414998 QIEDPSLOWZFPGM-PGMHBOJBSA-N 391.467 4.001 10 40 GICB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccccc3F)C2=O)c1 59105140 ZWSGLNJLURRSPZ-RVDMUPIBSA-N 398.390 4.130 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(O)cc2)c1C 222786626 LDSYIASZJMLMMN-RTWAWAEBSA-N 392.528 4.187 10 40 GICB COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC 16292294 IHCMJLAZKGHKHD-WQRHYEAKSA-N 385.510 4.414 10 40 GICB Cc1onc(-c2ccc(F)cc2)c1C(=O)NCc1ccc2c(c1)CCCN2C 58770010 XZLJJLDVROKWQZ-UHFFFAOYSA-N 379.435 4.102 10 40 GICB CCN1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21 5509845 FTSBRSUWFSXFPU-ZCXUNETKSA-N 394.521 4.446 10 40 GICB CCc1ccc(-c2nc(CN(CCC(N)=O)c3ccc(OC)cc3)cs2)cc1 8705874 LCIBARQDACPCQE-UHFFFAOYSA-N 395.528 4.263 10 40 GICB CCCOc1ccc(/C=C2/SC(=S)N(CC)C2=O)cc1Br 409338370 ISYIXDSBLAFHNX-UKTHLTGXSA-N 386.336 4.459 10 40 GICB CCOC(=O)c1cccc2c1N[C@@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 4959483 PHGUIQBXOQJKPJ-QKLQHJQFSA-N 377.440 4.476 10 40 GICB O=C1c2ccccc2C(=O)c2cc(NC(=O)c3cccnc3Cl)c(Cl)cc21 5517072 KZXQUZBQDAORSR-UHFFFAOYSA-N 397.217 4.416 10 40 GICB Cc1cc(C)cc(-n2c(C)cc(C(=O)Cn3nc4c(cc3=O)CCCC4)c2C)c1 12734198 NGQKYCUBASOPHP-UHFFFAOYSA-N 389.499 4.029 10 40 GICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 13844723 DDRQSAAJQGSWHN-SWZGKVDCSA-N 380.494 4.179 10 40 GICB CCn1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N=C2O)c2ccccc21 17150095 RJCPIHUJDHHRDV-SFQUDFHCSA-N 375.453 4.333 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1 409021663 SCXWDDPXXBJWBJ-UNOMPAQXSA-N 392.411 4.089 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 836474 KWSXAQPNOODHNO-SFQUDFHCSA-N 383.429 4.311 10 40 GICB O=C1N=C(O)/C(=C\c2cccn2Cc2ccccc2)C(=O)N1c1ccc(F)cc1 8914472 LTHGIGVFSPZYCZ-CPNJWEJPSA-N 389.386 4.182 10 40 GICB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 225657740 LCZCVBZMVBWNNU-INIZCTEOSA-N 384.549 4.374 10 40 GICB CCN1C(=O)/C(=C/c2ccccc2OCCOc2ccccc2)SC1=S 409346041 MUJQLDDSADRVKC-JXAWBTAJSA-N 385.510 4.366 10 40 GICB COC(=O)CCCCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 4860610 JTGHUYBKUMNFKY-SDNWHVSQSA-N 383.922 4.275 10 40 GICB CCCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)cc1 6747950 UAPUZXIGNNSMFV-QHCPKHFHSA-N 396.531 4.363 10 40 GICB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1cccc(Cl)c1 107954190 SVNLHKPEERUHMO-NDENLUEZSA-N 391.858 4.209 10 40 GICB CCn1cc(/C=C2\C(=O)N=C(O)N(c3ccccc3Cl)C2=O)c2ccccc21 2397377 RGVWRRGWMAHFES-RVDMUPIBSA-N 393.830 4.185 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1O 4714379 BIRSXGIDAGGHPO-OVCLIPMQSA-N 377.874 4.460 10 40 GICB CCCCOC(=O)CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S 5736814 BOSGIOCVBKTVFW-SDNWHVSQSA-N 383.922 4.275 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3ccnc4ccccc34)SC2=S)cc1 8993543 WPRFVEQPRXSDAM-BOPFTXTBSA-N 392.461 4.339 10 40 GICB CN1CCc2cc([C@@H](CNC(=O)c3cccc(Cl)c3)N3CCCCC3)ccc21 13007764 QLIDKIKRCDRKSB-JOCHJYFZSA-N 397.950 4.289 10 40 GICB CCOc1c(/N=N\c2ccc(OC)cc2)c(-c2ccccc2)nn1C(N)=S 17140004 XXXBZPQJKIZZQL-DQRAZIAOSA-N 381.461 4.465 10 40 GICB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 222593334 UBXFJOUWZFLNCY-KPOBHBOGSA-N 382.508 4.410 10 40 GICB Cn1c(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)nc2ccccc21 5236025 MAIFPBVCIDYKMA-OQLLNIDSSA-N 386.839 4.448 10 40 GICB CCn1cnc2cc(NCc3ccc(OC)c(OC[C@H]4CCCO4)c3)ccc21 19578313 ZGPIYZONSRKZJD-GOSISDBHSA-N 381.476 4.235 10 40 GICB O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(F)cc1 1262315 YIVHITCIOIPLOT-PTNGSMBKSA-N 390.461 4.039 10 40 GICB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2O)cc1 4793214 ZRYOKRLEQPTREW-DTQAZKPQSA-N 383.451 4.328 10 40 GICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 842963 KLTJTFJXHRUSGM-RGEXLXHISA-N 381.859 4.255 10 40 GICB Cc1oc2ccc(O)c(CN3CCCC3)c2c1C(=O)OCCc1ccccc1 5182465 UUSHDWROKLFUHV-UHFFFAOYSA-N 379.456 4.442 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1OC 5371151 BRLKXDOKCLKJIE-UYRXBGFRSA-N 399.537 4.456 10 40 GICB COc1ccc(C[C@H]2SC(=S)N(CCC3CCCCC3)C2=O)c(OC)c1 8115199 HFIKVYWFHCHIPF-GOSISDBHSA-N 393.574 4.446 10 40 GICB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 217840741 FHOMWHJYHFWFIE-MSOLQXFVSA-N 382.504 4.188 10 40 GICB CCN(CCCNC(=S)Nc1cccc(C(=O)OC)c1C)c1ccc(C)cc1 225733923 ZGYBDJCSKGXLCY-UHFFFAOYSA-N 399.560 4.293 10 40 GICB Cc1ccc(/N=N\c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1 409382115 KZWLHNQIKOANQH-XMXJVBHGSA-N 391.427 4.393 10 40 GICB C[C@H]1CN2c3ccccc3C(C)(C)[C@@]2(/C=C/c2ccc(N(C)C)cc2)NC1=O 4817374 YXVYMGORJIFWRG-QENBSYJXSA-N 375.516 4.026 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OC)c1 59959142 WSXKLICTVKJUAV-WQRHYEAKSA-N 383.831 4.226 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409022521 MBNADDYCPLPOTD-STZFKDTASA-N 390.483 4.247 10 40 GICB Cc1cc(NS(=O)(=O)c2ccccc2)c(C(C)C)c(Br)c1O 947566 AKYSZNCRWRUZRE-UHFFFAOYSA-N 384.295 4.387 10 40 GICB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC)c(OC)c1)C3 2160534 LQPISLIFGOSNOS-UHFFFAOYSA-N 381.428 4.119 10 40 GICB biogenic COc1ccc(OC)c(C2=C/C(=C/c3cccc(Br)c3)C(=O)O2)c1 408723019 PNUWCNKJKBBWCX-JYRVWZFOSA-N 387.229 4.448 10 40 GICB Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 1126804 OSNVXWWJUCRCQR-XSFVSMFZSA-N 394.496 4.068 10 40 GICB COc1ccc2ncc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)cc2c1 2110621 CVLQDQPZKJLXDX-DWOOMVRVSA-N 399.494 4.271 10 40 GICB biogenic O=[N+]([O-])c1ccc(NCc2ccc(N3CCOCC3)c(F)c2)c(C(F)(F)F)c1 84341330 NBWGOZGZZCTLID-UHFFFAOYSA-N 399.344 4.201 10 40 GICB COc1ccccc1CN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1C 100422678 XZCXPLFRXBZNDL-UYRXBGFRSA-N 392.484 4.091 10 40 GICB CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3ccc(C)cc3)N=C2C)cc1OC 997378 OZSIFEISMYZSCB-PDGQHHTCSA-N 378.428 4.125 10 40 GICB COC(=O)c1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4959471 TUVWSTBUSUXFDH-CKFHNAJUSA-N 380.400 4.217 10 40 GICB CCc1ccccc1NC(=O)c1ccc(/C=C2/SC(=S)N(C)C2=O)cc1 5374775 HUJWEGKPPYUAHJ-SFQUDFHCSA-N 382.510 4.332 10 40 GICB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260732670 ACDMPTAJBJJZJQ-HOTGVXAUSA-N 384.549 4.374 10 40 GICB Cc1ccc(N2C[C@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2SCCC3)cc1 4086738 BRRDPSLITZSJOY-IBGZPJMESA-N 394.347 4.473 10 40 GICB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=c3\sc4nc5ccccc5n4c3=O)cc21 208199351 JMLKXDHBALMBEB-FAPYRAKZSA-N 389.524 4.179 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)n3C)c2C)cc1 24287738 XKCUTCBNBGVKCN-UHFFFAOYSA-N 380.517 4.383 10 40 GICB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)n1-c1ccc(Cl)cc1 32911268 QPGPNVPDMFUVPX-UHFFFAOYSA-N 391.862 4.284 10 40 GICB COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N(C)C3CCCCC3)ccc12 54278292 BKMXZCPSDYPWAQ-UHFFFAOYSA-N 395.455 4.125 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)c1 5372304 DCRJQVIQOKAVDA-IUXPMGMMSA-N 383.450 4.024 10 40 GICB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(Cl)ccc3O)=NN12 10214094 IWFACBCYJJVIQM-SFHVURJKSA-N 383.879 4.011 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(Cl)c(Cl)c1 59426683 UJKFMWHOTFTLQF-KPKJPENVSA-N 395.629 4.313 10 40 GICB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)ccc1OC 59861427 ZXJVFZGJLUOOEB-LFIBNONCSA-N 394.427 4.217 10 40 GICB CC1(C)Cc2ccccc2/C(=C(\N=Nc2ccc(Br)cc2)C(N)=O)N1 257345395 BNBOUMIJPUPSKC-DJSXREBNSA-N 399.292 4.311 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OC(C)=O 409328810 BCAPDHSHJOEEIP-LDADJPATSA-N 399.493 4.416 10 40 GICB COCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 9189374 HIIBTLHPNIZOAH-AQTBWJFISA-N 385.510 4.113 10 40 GICB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(N(C)C)c([N+](=O)[O-])c2)S1 83310282 ANUHGUHIJKSUDR-GZTJUZNOSA-N 382.445 4.052 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3nc4ccccc4n3C)SC2=S)c1 5235994 RTHPLXUSOSVDSG-GZTJUZNOSA-N 393.493 4.182 10 40 GICB O=C(NCc1ccc(N2CCOCC2)cc1)/C(=C/c1ccccc1)c1ccccc1 10113309 DLUCLECVIRLQAG-NCELDCMTSA-N 398.506 4.380 10 40 GICB CCN(CC)c1ccc(CNC(=O)c2ccc(Cn3nc(C)cc3C)cc2)cc1 195742501 WPRZMTZTLXQYKZ-UHFFFAOYSA-N 390.531 4.324 10 40 GICB O=C1c2cccc([N+](=O)[O-])c2C(=O)[C@H]2c3c(ccc4oc5ccccc5c34)O[C@H]12 3013077 OVBSWUMXKZSCFO-KNQAVFIVSA-N 385.331 4.418 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)SC2=S)cc1 5372303 OHEQNBJWCXRYQN-MFOYZWKCSA-N 383.450 4.024 10 40 GICB CCN(CC)c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 15502948 KWRIXLFHUQNKHU-UGKGYDQZSA-N 379.504 4.278 10 40 GICB CN(Cc1ccc(N(C)C)cc1)C(=O)NCc1ccc(OCC(F)(F)F)cc1 23392415 MMOMRUWMYSILCN-UHFFFAOYSA-N 395.425 4.035 10 40 GICB COC(=O)Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)CC2=O 27986678 SXERQDPBSBRDRD-UHFFFAOYSA-N 390.277 4.110 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 33904593 VKMOCPPDUUUAPO-OTHHCBNDSA-N 391.500 4.350 10 40 GICB CCOc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(N(C)C)cc2)cc1Cl 72329349 NMTOOCWNNZQFFB-UHFFFAOYSA-N 398.894 4.125 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c2cccnc12 225425836 LPRRJIZUOJFWDS-UHFFFAOYSA-N 392.528 4.330 10 40 GICB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)ccc1F 225608168 GAXIODMSAXETTH-QGZVFWFLSA-N 390.524 4.410 10 40 GICB COc1ccc(-c2ccc(CCC(=O)O)n2CCOc2ccc(F)cc2)cc1 409379457 XWFRWTRIFOJFOR-UHFFFAOYSA-N 383.419 4.399 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 3069369 VOECKXGIWQJNSN-PDGQHHTCSA-N 382.510 4.361 10 40 GICB COc1ccc(/C=C2\SC(=S)N(CCCc3ccccc3)C2=O)cc1O 4689863 JTPQZBJBKQFDQK-AQTBWJFISA-N 385.510 4.235 10 40 GICB CC(/C=C1\SC(=S)N(c2ccc(C(=O)O)c(O)c2)C1=O)=C\c1ccccc1 4745770 WJEOIZSCXHGOFO-YZXVBUGESA-N 397.477 4.443 10 40 GICB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(C(=O)O)cc3)C2=O)cc1 8738895 PRTDIYONCVAZCR-FDIDITGRSA-N 392.411 4.405 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCCC4)o3)C(O)=NC2=S)cc1 59138018 MHPQQOZZZVRAAS-GHRIWEEISA-N 395.484 4.250 10 40 GICB Cc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)C(O)=NC1=S 59138124 ATHORYQAKMNVNV-DTQAZKPQSA-N 395.484 4.250 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225598271 HRJGUTYATPZAFK-INIZCTEOSA-N 376.497 4.164 10 40 GICB CCOC(=O)c1ccc(NC(=S)NCCN(CC)c2ccc(C)cc2)c(C)c1 225793931 YTXZIGRXSPPJTD-UHFFFAOYSA-N 399.560 4.293 10 40 GICB CCOc1cc(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)c1 408884958 WGDISHKALPDXRE-LICLKQGHSA-N 398.846 4.022 10 40 GICB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cc(OC)ccc1OC 7125028 XQMBLIZOMYBUJI-UHFFFAOYSA-N 397.500 4.318 10 40 GICB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccccc3O)=NN12 10213935 OCAANAWYZOAYKV-HXUWFJFHSA-N 377.488 4.136 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccc(I)c1 32099404 SGHHUOCCJOKABT-WJDWOHSUSA-N 388.208 4.097 10 40 GICB CCCOc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c1 408938787 RPDFIMKOVBTVIJ-VBKFSLOCSA-N 398.846 4.104 10 40 GICB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C(=O)NC2=S)cc1 4739004 REAGICCFPHIAEX-JYRVWZFOSA-N 391.279 4.133 10 40 GICB CC(C)CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc2C1 35349260 XWHXIOWYEUXYLC-HSZRJFAPSA-N 379.548 4.014 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCCc1ccc(O)cc1 101446596 IHEAXHLZLJCKED-JWGURIENSA-N 393.487 4.010 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc4ccccc34)c2C)NC1=S 409007794 RPSIMZBUFFFVHW-UYRXBGFRSA-N 375.497 4.325 10 40 GICB CN1C(=O)/C(=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S 1188328 QAAASDAACJMRHA-GDNBJRDFSA-N 389.885 4.390 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N([C@H](C(=O)O)c3ccccc3)C2=O)cc1 4425592 WXBPHVRHBYPNJB-WBILKINKSA-N 399.493 4.112 10 40 GICB CCCCCOC(=O)c1c2c(n3ccc(C)cc13)C(=O)c1ccccc1C2=O 5234109 UOEOADYPTOLIQZ-UHFFFAOYSA-N 375.424 4.370 10 40 GICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccccc1Cl 33660096 BGXGNTVITHMYLZ-WJDWOHSUSA-N 398.802 4.125 10 40 GICB O=C1N=C(O)/C(=C\c2ccc(N3CCCC3)o2)C(=O)N1c1cccc(Cl)c1 59138523 BMYCJTSUKNTDTO-RVDMUPIBSA-N 385.807 4.040 10 40 GICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1C(=O)OC 112119913 ZQADSIGSBYDOIV-HKWRFOASSA-N 377.444 4.362 10 40 GICB COc1ccc(C2(Nc3cccc(C(C)=O)c3)C(=O)c3ccccc3C2=O)cc1 6902051 WHDYNSMSODQZJN-UHFFFAOYSA-N 385.419 4.284 10 40 GICB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(Br)cc1 101062892 QCDSWJFNCYSVGK-MHWRWJLKSA-N 386.205 4.163 10 40 GICB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C/c3ccco3)SC2=S)c1 1263813 WXARZUNSVDSMMU-VBKFSLOCSA-N 386.498 4.208 10 40 GICB COc1ccc(N2CCN(Cc3cc(=O)oc4cc(C)c(Cl)cc34)CC2)cc1 54105901 FEOYVMOLAFOWGD-UHFFFAOYSA-N 398.890 4.086 10 40 GICB aggregator,biogenic O=C(C[C@@H]1OCCc2ccsc21)Nc1c(-c2ccccn2)nc2ccccn12 95409200 XFTOQSJIWUSNRF-INIZCTEOSA-N 390.468 4.100 10 40 GICB COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)c1 408753534 NGJNHLOYHYDZKD-KGENOOAVSA-N 388.398 4.374 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C\c1ccco1 408978913 ONPRTUZRGSAIBL-LCYFTJDESA-N 378.211 4.464 10 40 GICB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)SC1=S 1276537 KJGIZCZRLXCZIE-XGICHPGQSA-N 390.313 4.146 10 40 GICB CCCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1O 9096321 XXLWXXVAQJSWMK-UHFFFAOYSA-N 393.439 4.434 10 40 GICB Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1C 28288101 SNLVPHLHGKBTNH-UHFFFAOYSA-N 389.499 4.377 10 40 GICB Cc1ccccc1OCCOc1cccc(/C=C2\SC(=S)N(C)C2=O)c1 32109500 KMJVPAJTQUXWQB-AQTBWJFISA-N 385.510 4.284 10 40 GICB C[C@]1(C(=O)NCc2ccc(N3CCCCC3)cc2)CC(c2ccccc2F)=NO1 141565318 LXLCWCMHHLVLKL-HSZRJFAPSA-N 395.478 4.016 10 40 GICB C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 5032426 NAIXQXUELKFILC-ZJTXEKFPSA-N 393.873 4.274 10 40 GICB COc1ccc2c(/C=C3\SC(=S)N(Nc4ccccc4)C3=O)c[nH]c2c1 13681373 CBJWAFVFQJZFBF-MFOYZWKCSA-N 381.482 4.405 10 40 GICB c1coc(CN(Cc2ccncc2)C2CCN(c3ccc4c(c3)OCO4)CC2)c1 19342299 BZLGMUGGJGZOIB-UHFFFAOYSA-N 391.471 4.075 10 40 GICB O=C1/C(=C/c2cccc(Br)c2)SC(=S)N1CN1CCCCC1 33304168 CLRRTMYFBOKORA-UVTDQMKNSA-N 397.363 4.094 10 40 GICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc1 408797245 CAGHCPMTCRAPRM-GZTJUZNOSA-N 398.846 4.104 10 40 GICB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccncc1 409107478 VZSXVRHDXGGPNJ-YBFXNURJSA-N 392.846 4.240 10 40 GICB COc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1 1216419 UNCSTXORGBARFG-OAQYLSRUSA-N 384.435 4.468 10 40 GICB COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 6634338 AEWGPAHIQRKLMT-KWPCUBQOSA-N 377.440 4.129 10 40 GICB Oc1ccc(C2=NN3[C@H](c4ccc5c(c4)OCO5)Oc4ccccc4[C@H]3C2)cc1 10215400 URVOPYQGLVPBJJ-XXBNENTESA-N 386.407 4.363 10 40 GICB COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)/C2=C(/C)NC(C)(C)C)cc1 17080396 LFJOGBCABIKXHC-HKWRFOASSA-N 393.487 4.117 10 40 GICB Cc1nc(-c2cccs2)sc1C(=O)NCc1ccc(N(C)C)c(F)c1 84064766 CLNIGLPSAYHLMC-UHFFFAOYSA-N 375.494 4.315 10 40 GICB CCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccc(OC)cc1 112121178 YAJVHJRXGBVUKG-HKWRFOASSA-N 381.451 4.249 10 40 GICB COc1ccc(-c2cc3ccc(O)c(CN4CCC(C)CC4)c3oc2=O)cc1 1317656 OFZJPXUKWREGPU-UHFFFAOYSA-N 379.456 4.406 10 40 GICB biogenic O=C(C[C@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccc2ccccc12 4570557 DLFPXSBQCNEPMS-GOSISDBHSA-N 376.437 4.437 10 40 GICB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCCN(CC)CC 100163531 ULGBYZRLMIVPMV-FOCLMDBBSA-N 399.564 4.004 10 40 GICB COc1ccc(N2CCN(C(=O)/C(=C/c3ccco3)c3ccccc3)CC2)cc1 218098206 ISVXOFNIOIDDDN-PTGBLXJZSA-N 388.467 4.178 10 40 GICB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 222593540 OZHHLQRZIWMION-XMCHAPAWSA-N 382.508 4.410 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2O)c1C 222786378 QCGNBJODABRYJH-RTWAWAEBSA-N 392.528 4.187 10 40 GICB O=C(NN1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccc(Cl)c1 1246781 FFEQVNTXCGSYAI-RIYZIHGNSA-N 392.864 4.025 10 40 GICB CN(C)c1ccc([C@@H](CNC(=O)c2cc(Cl)ccc2Cl)N(C)C)cc1 5097736 IATCGPKSXKVSSK-GOSISDBHSA-N 380.319 4.092 10 40 GICB Cc1cc(O)c(CN2CCCN(c3ccc(C(F)(F)F)cn3)CC2)cc1C 16875791 VATQUZOBHQWHSI-UHFFFAOYSA-N 379.426 4.135 10 40 GICB CC1CCN(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)CC1 30756122 NJASLSXQQMIFBW-UHFFFAOYSA-N 391.559 4.449 10 40 GICB O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(F)c(Cl)c2)C1=O 1101663 UOXZLRSEGMJCJL-YPKPFQOOSA-N 390.848 4.207 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OC 1125662 BJOVCHVKLQSUIO-PDGQHHTCSA-N 385.510 4.495 10 40 GICB O=C1/C(=C\c2ccc3nccnc3c2)SC(=S)N1CCc1ccccc1 13724234 OUHPCRKDHHLZGG-QGOAFFKASA-N 377.494 4.074 10 40 GICB COC(=O)c1sc2nc(-c3cccc(OC)c3)cc(C(F)(F)F)c2c1N 663817 HPGBVDJEACITGS-UHFFFAOYSA-N 382.363 4.360 10 40 GICB Cc1cccc(NC(=O)CCCN2C(=O)/C(=C\c3ccco3)SC2=S)c1 4536570 WXARZUNSVDSMMU-FOWTUZBSSA-N 386.498 4.208 10 40 GICB C[C@H]1[C@@H](/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)c2ccccc2N1C 5336317 GJEDYODRNPXMLU-ADOQTBBPSA-N 387.527 4.179 10 40 GICB C[C@H](NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccc(N2CCN(C)CC2)cc1 55711031 UIFDYRLXVVGGGE-KRWDZBQOSA-N 397.950 4.001 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Cl 408777954 NBCVWHDHSDYTRI-MHWRWJLKSA-N 398.846 4.022 10 40 GICB CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 409242141 MQMBFJHXJCUCDV-VUODPORTSA-N 394.496 4.004 10 40 GICB COc1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 2282168 POSZVOUBTJQWNV-UHFFFAOYSA-N 385.419 4.041 10 40 GICB O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1c1ccc2c(c1)OCO2 9420175 JTIRWBGBKOEBRM-GIJQJNRQSA-N 392.461 4.369 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)C(=O)N=C2S1 33671916 UIJNRPRXXUUWQG-PBGDOYKQSA-N 397.891 4.387 10 40 GICB COc1ccc(N2CCN(CC(=O)c3c(C)[nH]c4cc(C)ccc34)C[C@@H]2C)cc1 36184037 BFQWOLHEPDGCJY-KRWDZBQOSA-N 391.515 4.187 10 40 GICB Cc1cccc(NC(=O)/C(=C/c2ccc(N(C)C)cc2)NC(=O)c2ccccc2)c1 823083 CKSYRTQBIQSIHT-QJOMJCCJSA-N 399.494 4.471 10 40 GICB CC(/C=C1\SC(=S)N(CCCCCC(=O)O)C1=O)=C\c1ccccc1 4478807 BUGHZIWCNKYWTD-QLKCLSONSA-N 375.515 4.479 10 40 GICB COc1ccc(-c2c(C)oc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1 20411796 WBDTUABZFUZSHE-UHFFFAOYSA-N 379.456 4.469 10 40 GICB biogenic Cc1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccc(N(C)C)cc3)n2)cc1 67898676 YVNAOQUEPUIXAQ-QFIPXVFZSA-N 376.504 4.025 10 40 GICB biogenic,in-vitro O=C(c1ccncc1)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1ccccc1O 95946313 DBRQBETZLHSYDL-LJQANCHMSA-N 377.831 4.432 10 40 GICB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 102829024 JFJJWMWSKHJBSG-XXBNENTESA-N 387.439 4.347 10 40 GICB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cn1 225671913 VAKOSJLHQHKSLV-HZPDHXFCSA-N 384.549 4.374 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1/C(=O)N(c2ccc(F)cc2)C(=S)N=C1O 1239924 CGMWQQPPAKTDNZ-MHWRWJLKSA-N 379.416 4.287 10 40 GICB O=C(NN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1 1248248 LMJRPSSFKJCKER-NTEUORMPSA-N 392.864 4.025 10 40 GICB CC[C@H](C(=O)O)N1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 5374192 VCBXBURSGYHKAN-CHPNCVJKSA-N 376.286 4.058 10 40 GICB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(C(C)=O)c3)n2C)cc1 7423645 CADKTRMGJLMSOP-UHFFFAOYSA-N 395.484 4.029 10 40 GICB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 9188650 AYRFGNCQXGPZPS-BOPFTXTBSA-N 383.494 4.496 10 40 GICB Cc1ccnn1-c1ccc(C(=O)N(C)Cc2ccc(N3CCCCC3)cc2)cc1 12590805 WZQNFGCVVHLMLF-UHFFFAOYSA-N 388.515 4.443 10 40 GICB O[C@]1(c2ccc(Cl)c(Cl)c2)CN(c2ccccc2)C2=[N+]1CCCS2 22404197 QOTBSKBRQYGKSK-SFHVURJKSA-N 380.320 4.164 10 40 GICB CCn1cc(Br)c(C(=O)Nc2ccccc2/[N+]([O-])=N\C(C)(C)C)n1 100202838 VLIIHLSTTHANMA-LSDHQDQOSA-N 394.273 4.310 10 40 GICB Cc1cccc(-n2c(C)cc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)c1 222737311 HFISNYHWOAROTA-RTWAWAEBSA-N 376.529 4.400 10 40 GICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(F)cc1 409230952 AGAPQOKNBNEJMR-FYJGNVAPSA-N 389.430 4.326 10 40 GICB CC(=O)Nc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 6347702 BRAFOPZVCMCFHP-UHFFFAOYSA-N 390.439 4.092 10 40 GICB Cc1cccc(C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9137940 JSJYGBMLHSJIII-XMMPIXPASA-N 391.559 4.334 10 40 GICB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(N4CCCCC4)cc3)C2=O)cc1 16292333 BWDQBIMLHISWDJ-QNGOZBTKSA-N 375.472 4.078 10 40 GICB O=C1N=C(O)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(F)cc2)o1 17195509 REUFEZWBAIAODS-BOPFTXTBSA-N 394.333 4.096 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)c1 5371310 NMIHPMXUCFPPSJ-YVLHZVERSA-N 387.482 4.118 10 40 GICB O=c1oc2c(CNCCc3ccc(F)cc3)c(O)c(Cl)cc2c2c1CCC2 20622786 JHMPJYNFDXCNBK-UHFFFAOYSA-N 387.838 4.112 10 40 GICB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(N3CCOCC3)cc2)c1 54283998 NRDLLQJQIZLQQN-LJQANCHMSA-N 396.531 4.039 10 40 GICB COc1ccc(N2N=C(c3ccccc3)/C(=C(\C)Nc3cccnc3)C2=O)cc1 8992548 RXKUVSCTDCWSTP-PGMHBOJBSA-N 384.439 4.227 10 40 GICB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1ccccc1Cl 12412787 HTFSAMNOPZAWJN-JYRVWZFOSA-N 375.211 4.498 10 40 GICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O 13955247 IMYXZHIUXMPJRE-NZWDAJRTSA-N 386.523 4.241 10 40 GICB COc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3C=C(C)SC3=NC2=O)c1C 20037311 IYLRHKGKVGFQQE-FIMHLPJISA-N 392.484 4.270 10 40 GICB CCOc1ccccc1NC1=NC(=O)/C(=C\c2cc(OC)ccc2OC)S1 35644597 PBVNLLOVLZCRPE-LDADJPATSA-N 384.457 4.185 10 40 GICB Cc1ccc(C(=O)O)cc1-c1ccc(C=C2C(=O)OC3(CCCCC3)OC2=O)o1 977347 OAILVIMAUYGBEN-UHFFFAOYSA-N 396.395 4.097 10 40 GICB CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@H]1c1ccc(N(C)C)cc1 4797296 IGNSYZFRHDMYKQ-DKXPKDADSA-N 377.488 4.371 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(N(CC)CC)cc3)NC2=S)cc1 9189155 GMGWLIZIJBKKAY-HMMYKYKNSA-N 395.528 4.194 10 40 GICB COc1cc(OC)c(OC)cc1/C=C1\SC(=S)N(c2ccccc2)C1=O 13547593 QDGKBZZBDCSTND-YVLHZVERSA-N 387.482 4.118 10 40 GICB Oc1ccc2ccccc2c1CN1CCN(Cc2nc3ccccc3s2)CC1 23257286 VCWJHTVXFZPYBY-UHFFFAOYSA-N 389.524 4.473 10 40 GICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(C)nn(-c2ccccc2)c1O 103990351 MTNDRJLSBAYSAA-XDHOZWIPSA-N 392.846 4.346 10 40 GICB C[C@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 225664493 IKUANNYOTBAMKI-INIZCTEOSA-N 397.544 4.496 10 40 GICB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 1416718 MKQMCTNHMBXRIU-WJDWOHSUSA-N 385.470 4.067 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N(C)C)ccc21 13008191 BANCEGAPGJUBQF-QHCPKHFHSA-N 393.575 4.399 10 40 GICB Cc1csc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)n1 7423375 BGMNAMWFMJNQHT-UHFFFAOYSA-N 378.910 4.236 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 9379251 HTWZEWFITNDIHI-GOSISDBHSA-N 385.471 4.166 10 40 GICB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 26771510 WELWPQCZZQSATG-KGZWWPETSA-N 394.477 4.195 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 103917828 SMZUDIWZOKBHLH-QNGOZBTKSA-N 381.451 4.401 10 40 GICB Cn1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c2ccccc21 409337960 AHEAWGZSAFTXSR-YVLHZVERSA-N 395.465 4.492 10 40 GICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1nnc(-c2ccccc2)s1 101346730 OLFCDTFNTWWKEJ-WJDWOHSUSA-N 379.420 4.063 10 40 GICB CCOc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cccc1OC 408974566 ZSYMXVYKPFCXSS-QINSGFPZSA-N 390.361 4.442 10 40 GICB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)C1=O 409233817 HSWIAHOLPHQINV-RCCKNPSSSA-N 394.519 4.243 10 40 GICB C[C@@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)c1ccccc1 5374701 JNXCQHGFQWMGCL-KAECEXQPSA-N 382.510 4.009 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/c3cccc4cccnc34)SC2=S)cc1 9419817 VEYBDBICHCHUAP-WJDWOHSUSA-N 392.461 4.339 10 40 GICB CCO/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccc(OC)cc1 16681936 RWBAKSQADHOAMU-AQTBWJFISA-N 393.468 4.366 10 40 GICB CCc1ccc(/C=C2/SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 35648402 FQGHMEIEORSYAX-CXUHLZMHSA-N 385.466 4.059 10 40 GICB Cc1ccc(C)n1-c1ccc(CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1 40158217 LOVPSAVJINHATM-UHFFFAOYSA-N 399.472 4.018 10 40 GICB CCOC(=O)CC1(c2c(C)c(C)c(C)c(C)c2C)C(=O)c2ccccc2C1=O 408732996 CNYNTMNFKPNUPK-UHFFFAOYSA-N 378.468 4.499 10 40 GICB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O 5372072 SRHIXJHNHXVCBI-WQRHYEAKSA-N 399.493 4.399 10 40 GICB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5372212 JMYDSNHVYLNASH-MVKCEROBSA-N 375.515 4.478 10 40 GICB Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cc(C)n(-c2ccccc2F)c1C 43270207 ZBWGRUUFMGNBLT-UHFFFAOYSA-N 383.398 4.032 10 40 GICB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F 222738639 VCARDRRBUMKDHQ-UXHICEINSA-N 380.492 4.231 10 40 GICB Cc1ccsc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 408993139 CHZAHWJKVSPXDL-JXMROGBWSA-N 397.308 4.195 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(C4CC4)c3C)N(C)C2=S)cc1 409127274 PIRQVXYRHLXXDW-MOSHPQCFSA-N 395.528 4.443 10 40 GICB CCN(CCOC(C)=O)c1ccc(N=Nc2ncc([N+](=O)[O-])s2)c(C)c1 255976700 HMAJVAFLGGPIPN-UHFFFAOYSA-N 377.426 4.165 10 40 GICB CN(C)c1ccc(/C=C2/N=C(c3ccc(C(=O)c4ccccc4)cc3)OC2=O)cc1 3181128 YVVVXHAYBAOLKU-CJLVFECKSA-N 396.446 4.328 10 40 GICB CCOc1ccc(/C=C2\SC(Nc3ccc(NC(C)=O)cc3)=NC2=O)cc1 5373189 HYDJTFMVRJVMNC-PDGQHHTCSA-N 381.457 4.126 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3cccc(F)c3)N3CCCCC3)ccc21 9137609 LLHZZQJHNYTHNM-HSZRJFAPSA-N 395.522 4.165 10 40 GICB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3cc(Cl)ccc3O)=NN12 10214098 IWFACBCYJJVIQM-GOSISDBHSA-N 383.879 4.011 10 40 GICB COc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)c(OC)c1OC 96663396 RPWHEEUUNOFABA-GZTJUZNOSA-N 398.484 4.412 10 40 GICB CC(=O)NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 32111767 GQDIFUFXGLKIFO-LICLKQGHSA-N 386.860 4.025 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cn4ccnc4)cc3)cc2)C1 44855834 BOOBCMGNUXVWMY-IBGZPJMESA-N 388.515 4.098 10 40 GICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2cc(C)n(-c3ccccc3)c2C)C1=O 209558609 BCEVZKGMOQWGBI-XSFVSMFZSA-N 399.450 4.069 10 40 GICB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(OC)c(OC)c1)CO3 2119832 WAUKUBWTYWJHDS-UHFFFAOYSA-N 395.455 4.428 10 40 GICB biogenic O=C1N/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1Cc1ccccc1Cl 4514367 QQGGVFYNPGQFKE-XSFVSMFZSA-N 395.890 4.423 10 40 GICB CCOc1ccc(C2=C/C(=C/c3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1 4866032 CJHGQSWCDMIMCA-YBEGLDIGSA-N 382.412 4.092 10 40 GICB CSCC[C@@H](C(=O)O)N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S 8202297 SQXQQDPJICIETD-ZPDHENSJSA-N 393.555 4.040 10 40 GICB COc1ccc(/C=C2/SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)cc1 16692925 IVPWEOHNNCSLNQ-KTZOAPACSA-N 399.493 4.112 10 40 GICB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C\c2c[nH]c3ccccc23)S1 20226931 GLGKXIAGVIZVDV-RQZCQDPDSA-N 377.425 4.257 10 40 GICB O=C(O)CN1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)SC1=S 24102699 PXZJVZSIPANTSC-YBEGLDIGSA-N 394.477 4.121 10 40 GICB COc1cccc2ccc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)nc12 32051734 YXLKOFZJMKJIAH-LICLKQGHSA-N 394.477 4.355 10 40 GICB COc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)ccc1OC(C)C 59135066 FPDAZEAFUOJCGV-MHWRWJLKSA-N 398.390 4.128 10 40 GICB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc4c(c3)OCO4)cc2)C1 260504047 CDMRMQPAXXTGJQ-ZWKOTPCHSA-N 394.515 4.462 10 40 GICB Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(O)cc2)cc1 408766439 QPBJYQORBJJSRT-UDWIEESQSA-N 398.418 4.264 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1OC 6860952 IFHQTWFJBZJCMJ-CPNJWEJPSA-N 399.537 4.456 10 40 GICB CCOC(=O)c1ccc(NC2=NC(=O)/C(=C\c3ccc(N(C)C)cc3)S2)cc1 8783585 WLDDFQAGEKFWMW-QGOAFFKASA-N 395.484 4.012 10 40 GICB COc1ccc(N(Cc2cc(=O)n3cc(C)ccc3n2)Cc2cccs2)cc1 57644587 BKOQLTUYOJZSJE-UHFFFAOYSA-N 391.496 4.280 10 40 GICB O=C(OCc1ccccc1)c1cn(-c2c3ccccc3nc3ccccc23)nn1 225695913 RDKBSQZZPJJVCH-UHFFFAOYSA-N 380.407 4.326 10 40 GICB COc1cccc(OCC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260622227 RXUBOCRQFCAMKE-ZWKOTPCHSA-N 382.504 4.188 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)c1 408897323 IVYMXMBDYYJBBJ-CPNJWEJPSA-N 376.456 4.267 10 40 GICB CCOC(=O)Cc1ccc(NC2(c3ccccc3)C(=O)c3ccccc3C2=O)cc1 1071187 QFGGSZAYIRJDAQ-UHFFFAOYSA-N 399.446 4.179 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(c4ccccc4F)CC3)=NC2=O)cc1 5373185 XCOUCGDFFBEGEJ-HKWRFOASSA-N 395.503 4.181 10 40 GICB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1cccc(Br)c1 6348270 FCJHCXWJUZLVQH-WJDWOHSUSA-N 390.277 4.064 10 40 GICB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 32109740 YBJVDZDUOVLOBL-MFOYZWKCSA-N 385.445 4.447 10 40 GICB CSc1ccc(/C=C2/C(=N)N3N=C(Cc4cccs4)SC3=NC2=O)cc1 33334470 MBVCJRCTBQNYIJ-RBCZPYDQSA-N 398.538 4.332 10 40 GICB CC1=NN2C(=N)/C(=C/c3ccc(SCc4ccccc4)o3)C(=O)N=C2S1 41108169 YFZYUFLNTPSUHR-RBCZPYDQSA-N 382.470 4.211 10 40 GICB Cc1ccccc1-n1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222737101 JCJHHDSWIRAYNZ-LEWJYISDSA-N 376.529 4.400 10 40 GICB COc1cccc(CN2[C@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)c1O 100142774 AFIMKDMXCGUCLY-RDJZCZTQSA-N 392.503 4.003 10 40 GICB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 409123212 ALKVQJUDTVTJOF-XDHOZWIPSA-N 384.501 4.394 10 40 GICB Cc1ccc(N2C(=O)N=C(O)/C(=C\C=C\c3ccc(N(C)C)cc3)C2=O)cc1 1202893 PWTBKWGOGGNEKK-QZRSKMOPSA-N 375.428 4.124 10 40 GICB Cc1c(O)c(CNCc2c(F)cccc2Cl)cc2c3c(c(=O)oc12)CCC3 6669957 FUMMITBLTKQSPU-UHFFFAOYSA-N 387.838 4.378 10 40 GICB COc1ccc(N2N=C(C)/C(=C(\C)NCCc3ccc(Cl)cc3)C2=O)cc1 103916370 OPOFDDXUGIVPHV-ZHZULCJRSA-N 383.879 4.177 10 40 GICB CCn1cc(/C=C2\SC(=S)N(Cc3cccnc3)C2=O)c2ccccc21 409139783 BZJQFBJULCTIQM-ZDLGFXPLSA-N 379.510 4.458 10 40 GICB O=C(c1cccs1)N1N=C(c2cccs2)C[C@H]1c1ccc([N+](=O)[O-])cc1O 9579648 YQVPNVUQVQYQLT-AWEZNQCLSA-N 399.453 4.415 10 40 GICB COc1ccc(C2N(Cc3ccccc3O)CCN2Cc2ccccc2O)cc1 19326854 HFUITGMKDNOAHP-UHFFFAOYSA-N 390.483 4.123 10 40 GICB Cc1c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)sc2cccc(F)c12 24207028 HZXCKNUVBKYLMS-UHFFFAOYSA-N 398.503 4.458 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)ccc1C 409328974 BIBUMTAJAFVREC-YBEGLDIGSA-N 386.454 4.318 10 40 GICB O=C(CSc1ncc(-c2ccccc2)n1Cc1ccco1)Nc1nccs1 924753 YNEBYWCDZFVJBI-UHFFFAOYSA-N 396.497 4.379 10 40 GICB COc1ccc(-c2cc(=O)c3c(CN4CCC(C)CC4)c(O)ccc3o2)cc1 4387303 NAMFGMZFIKVATE-UHFFFAOYSA-N 379.456 4.406 10 40 GICB O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1cccs1 5776381 HBMBYBOLJWZLRU-UHFFFAOYSA-N 376.311 4.366 10 40 GICB CN(C)c1ccc(CN(C(=O)COc2ccccc2Cl)c2ccccn2)cc1 28287526 UJGBHGFTRKJJGX-UHFFFAOYSA-N 395.890 4.413 10 40 GICB COc1cccc(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(C(C)(C)C)nn23)c1O 72337379 AFIMKDMXCGUCLY-WBVHZDCISA-N 392.503 4.003 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 408893973 PGESEFOQSMMFKP-PDGQHHTCSA-N 392.411 4.089 10 40 GICB CCCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc2c1CCCC2 2084468 SZCVCLMCEZOIJB-STQMWFEESA-N 393.505 4.023 10 40 GICB CCCCCCOC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O 5234108 BCEMUUSHVJUUKL-UHFFFAOYSA-N 375.424 4.452 10 40 GICB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 5371724 DRXYUSWNRUMTBT-BOPFTXTBSA-N 383.494 4.496 10 40 GICB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(N4CCOCC4)cc3)S2)c1 7165549 GGECGGQMZFDXDU-XSFVSMFZSA-N 393.512 4.222 10 40 GICB O=C1c2ccccc2N[C@H](c2cc([N+](=O)[O-])ccc2O)N1c1ccc(Cl)cn1 54702779 OMAAODBIZNYHLX-SFHVURJKSA-N 396.790 4.120 10 40 GICB O=C1/C(=C/C=C/c2ccccc2[N+](=O)[O-])SC(=S)N1Nc1ccccc1 1187409 LNZKLEHSEMFLGJ-OEPLLAQKSA-N 383.454 4.379 10 40 GICB CC(C)OC(=O)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S 1276843 HHVDSQYCLBSCFS-GDNBJRDFSA-N 377.531 4.137 10 40 GICB Cc1cc(C(=O)OCc2noc(-c3ccco3)n2)c(C)n1-c1ccc(F)cc1 12607295 IVJVIQBKVSFTCO-UHFFFAOYSA-N 381.363 4.233 10 40 GICB CN1CCCc2cc(/C=C/C(=O)Nc3nc(-c4ccccn4)cs3)ccc21 61112991 AMUGASZLTKUOAL-CSKARUKUSA-N 376.485 4.239 10 40 GICB O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)N1CCCCC1 924778 AJQOTRHXJGWEOJ-UHFFFAOYSA-N 399.491 4.435 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(F)cc3)C2=O)cc1OC 977975 ONBKANRXCTXCLM-MHWRWJLKSA-N 375.446 4.249 10 40 GICB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)cc1 4292052 AXTQBBDRNAYVKG-GOSISDBHSA-N 378.453 4.454 10 40 GICB COc1cc(/C=C2\SC(N3CCCC3)=NC2=O)ccc1OCc1ccccc1 4785119 NDDCQIJVDVKGML-ZHZULCJRSA-N 394.496 4.340 10 40 GICB CCN(Cc1ccc(N(C)C)cc1)C(=O)CCCc1nnc(-c2ccccc2)o1 58818995 ZVCMLUFXDHFSBM-UHFFFAOYSA-N 392.503 4.174 10 40 GICB COc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3C)N=C2C)cc(OC)c1O 678591 WNMWIPRYBSLQOU-RIYZIHGNSA-N 386.835 4.177 10 40 GICB Oc1c([C@H](c2ccccn2)N2CCN(c3ccccc3)CC2)ccc2cccnc12 20192738 AYIKXKPLKBCPFA-XMMPIXPASA-N 396.494 4.247 10 40 GICB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc1 113836694 IBJRIWIKXDQIEJ-MDWZMJQESA-N 391.495 4.025 10 40 GICB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccc(OC(C)C)cc2)C1=O 408819657 ZYCIPPNFXFWVQU-LICLKQGHSA-N 398.846 4.102 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccccc1OC 408892334 ICIWHLLULFZMBN-UYRXBGFRSA-N 377.440 4.189 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 5551950 NZFNVLYLHHRAPK-SXGWCWSVSA-N 384.438 4.203 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3ccccc3F)N3CCCCC3)ccc21 9137575 JVOBDTWQPMITIR-QHCPKHFHSA-N 395.522 4.165 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1O 28975300 BIRSXGIDAGGHPO-NVNXTCNLSA-N 377.874 4.460 10 40 GICB CC(C)N1CCc2cc(CN3CCC(c4cc5nccnc5[nH]4)CC3)ccc21 57774788 KVPBLXOZTYDIBM-UHFFFAOYSA-N 375.520 4.108 10 40 GICB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(N2CCCCC2)=NC1=O 7701137 IWWXDDIHURTAMR-VBKFSLOCSA-N 386.908 4.290 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1O 33286156 UNNWFKSMSIWSEF-ZSOIEALJSA-N 377.874 4.460 10 40 GICB COC(=O)/C=C\c1ccc(N2CCC(c3ccccc3OC)CC2)c([N+](=O)[O-])c1 33378681 CPHPNKHJYVHEDA-NTMALXAHSA-N 396.443 4.174 10 40 GICB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C/c1cc2c(cc1[N+](=O)[O-])OCO2 100936982 MOPANHYPMJRJEN-OQLLNIDSSA-N 393.399 4.156 10 40 GICB Cc1ccc(/N=N\c2ccc(NC(=O)[C@@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1 409382111 KZWLHNQIKOANQH-DVNYYZFQSA-N 391.427 4.393 10 40 GICB Cc1cc(/C=C2\C(=O)N=C(O)N(Cc3ccco3)C2=O)c(C)n1C1CCCCC1 1261818 BEZNITMERCOOHX-XDHOZWIPSA-N 395.459 4.070 10 40 GICB O=C(Nc1cccc2c1CCCC2)N(Cc1ccccc1O)C[C@H]1CCCO1 40150527 RCMCJVXNABBVLI-LJQANCHMSA-N 380.488 4.484 10 40 GICB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\Nc3ccc4c(c3)CCC4)C2=O)c1 103118331 WZGMRCJGQQSJMK-XDHOZWIPSA-N 375.428 4.211 10 40 GICB Cc1cccc(-n2c(C)cc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222737442 HFISNYHWOAROTA-SFTDATJTSA-N 376.529 4.400 10 40 GICB COc1ccccc1C1=N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 408842174 NFSITNCBVSLENP-XDJHFCHBSA-N 399.406 4.438 10 40 GICB CCCCC(=O)N[C@H](c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O 4903384 QFCCYBSDVVCERY-OAQYLSRUSA-N 377.488 4.402 10 40 GICB CC1=NN2C(=N)/C(=C/c3cccn3-c3ccc4ccccc4c3)C(=O)N=C2S1 13280878 KRHSRLFIZVPPKM-BVJANGARSA-N 385.452 4.270 10 40 GICB COC(=O)c1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1C 225417048 HWAKKGDABGKIDT-UHFFFAOYSA-N 397.544 4.259 10 40 GICB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 4835401 BLXVLUVKENWFQL-UHFFFAOYSA-N 390.439 4.092 10 40 GICB CCCCCCN1C(=O)/C(=C/c2cn(CCC)c3ccccc23)C(=O)N=C1O 9012623 NIWIKERCUWMBDR-NBVRZTHBSA-N 381.476 4.298 10 40 GICB CC(C)(C)c1cc(CN2CCN(c3cnccn3)CC2)c(O)c(C(C)(C)C)c1 26663162 JRIZECGDNNXMEV-UHFFFAOYSA-N 382.552 4.099 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 222793583 WWFOSLCJMTXXTL-SFTDATJTSA-N 391.544 4.185 10 40 GICB CN(CCCNC(=S)Nc1ccc(Br)cc1)c1ccccc1 225747530 IDZYLSHSTAPNNQ-UHFFFAOYSA-N 378.339 4.262 10 40 GICB O=C1c2ccccc2C(=O)c2c1oc(C(F)(F)F)c2C(=O)c1ccc(F)cc1 4776566 GPJGKFNNROMNJQ-UHFFFAOYSA-N 388.272 4.444 10 40 GICB CC(/C=C1\SC(=S)N(CC(=O)Nc2ccccc2)C1=O)=C\c1ccccc1 16805078 ZONHSYNIHVFIBC-MNPLYOLFSA-N 394.521 4.473 10 40 GICB CCn1cc(/C=C2\C(=O)N(c3ccc(OC)cc3)C(=O)N=C2O)c2ccccc21 33327011 NLCOXTHZTZQHRI-PDGQHHTCSA-N 389.411 4.177 10 40 GICB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c(OC)c1 225694301 VTGBQTCVEMXICF-HNNXBMFYSA-N 385.533 4.352 10 40 GICB Cc1ccc(C)c(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1 408903030 OCAHZDMGACCESR-XKZIYDEJSA-N 399.519 4.481 10 40 GICB Cc1[nH]c2ccccc2c1/C=C1\C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O 1200470 OGLBKKIVTXNERC-XDHOZWIPSA-N 387.439 4.266 10 40 GICB Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4ccc(Cl)cc4)S3)CC2)cc1 4863295 NCVMRNHZXFNWRB-XMHGGMMESA-N 397.931 4.441 10 40 GICB CCc1ccc(/C=C2\SC(N3CCN(c4cccc(C)c4)CC3)=NC2=O)cc1 5516020 FQSIRYCSWNXWGT-PGMHBOJBSA-N 391.540 4.350 10 40 GICB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(OC)cc1 58883860 SOIOMVSQVUVIGH-PDGQHHTCSA-N 383.831 4.226 10 40 GICB Cc1cc(C(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c(C)n1-c1ccccc1 102056107 BDKRZJMYYAZBSR-ROUUACIJSA-N 393.483 4.215 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccc(OC)cc1 660205 HJQPBZATJGMAFW-MOSHPQCFSA-N 377.440 4.189 10 40 GICB COc1ccccc1N(Cc1ccccc1O)C(=O)COc1ccccc1C 3186984 XPCFEHIYAHLGBJ-UHFFFAOYSA-N 377.440 4.321 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1 5516338 VUSBOQJZYUPYNP-QLDZPZBVSA-N 391.500 4.350 10 40 GICB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\NCc1ccc(Cl)cc1 100249982 FJJRILGMFASOIK-ATVHPVEESA-N 390.270 4.364 10 40 GICB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n1-c1ccccn1 260769296 LJOOGVLKWLAFRE-IPHXSNPTSA-N 389.528 4.473 10 40 GICB O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCc3ccccc3)cc(O)c12 77272836 NGOIESQGCUSOSC-UHFFFAOYSA-N 376.364 4.156 10 40 GICB in-vitro CC(C)(C)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408895274 DLRVPSJVOBKITK-SFQUDFHCSA-N 382.847 4.304 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c(OC)c1 35039008 TZRAPEBUMLQMFQ-VCHYOVAHSA-N 399.493 4.312 10 40 GICB CCOc1ccc(/C=C2/SC(Nc3ccc(OC)cc3OC)=NC2=O)cc1 35647968 ADPYWQOWFLSBAW-WOJGMQOQSA-N 384.457 4.185 10 40 GICB Cc1cc(C)cc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)c1 106953486 BDMQLYKMCMGXOW-XKZIYDEJSA-N 399.519 4.481 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2ccccc2)c1C 222781862 APGOAGLBNPYBLT-RTWAWAEBSA-N 376.529 4.482 10 40 GICB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(OC)c1 409063644 ANGDVXILKKMPOM-HKWRFOASSA-N 381.472 4.258 10 40 GICB COc1ccc(CN2C(=O)[C@@H](Cc3ccc(Cl)cc3)SC2=S)cc1 8117201 SGUIGVDENHRSJP-MRXNPFEDSA-N 377.918 4.320 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1F 14010049 MKKCOQCFBPDIKB-AQTBWJFISA-N 381.403 4.102 10 40 GICB COc1ccc(N2CCN(c3nccn4nc(-c5ccccc5C)cc34)CC2)cc1 67285478 LWMVUCSQFCPDOJ-UHFFFAOYSA-N 399.498 4.040 10 40 GICB COc1ccc(-c2cc(=O)oc3c(C)c(O)c(CN4CCCCC4)cc23)cc1 2149951 BLANFVODHDUYNY-UHFFFAOYSA-N 379.456 4.469 10 40 GICB biogenic O=C1c2ccccc2N[C@@H](c2cc([N+](=O)[O-])ccc2O)N1c1ccc(Cl)cn1 54702778 OMAAODBIZNYHLX-GOSISDBHSA-N 396.790 4.120 10 40 GICB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C(/C)Nc2cccnc2)cc1 100423785 FFIVFXCGUBHYDM-PGMHBOJBSA-N 384.439 4.227 10 40 GICB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NC1CC(C)(C)NC(C)(C)C1 103918165 PNMFXSLVRYVBID-SILNSSARSA-N 382.552 4.362 10 40 GICB C[C@H]1CCN(C(=O)CN(C)Cc2ccc(N(C)C)cc2)c2ccccc2S1 7990543 RALISEZULMHLPK-KRWDZBQOSA-N 383.561 4.102 10 40 GICB O=C(NN1C(=O)/C(=C\C=C\c2ccco2)SC1=S)c1ccccc1Cl 16672866 ANDJBEKHKKRRAO-HNBAAQFOSA-N 390.873 4.035 10 40 GICB CC1=CN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)N=C2S1 20037237 KURRTZCIIFCORB-PRZRADHTSA-N 380.448 4.400 10 40 GICB C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 225663887 APCIWBIWRSHQRE-HNNXBMFYSA-N 383.517 4.453 10 40 GICB O=C1N=C(O)/C(=C/C=C/c2ccco2)C(=O)N1c1cccc(C(F)(F)F)c1 9044884 WWBUUQGJPFLCAN-NTOUICHMSA-N 376.290 4.361 10 40 GICB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(OC)c3)C2=O)cc1 9137952 ZRERIJIHZPCICT-GPLLRDDGSA-N 394.427 4.421 10 40 GICB O=C1N(Cc2ccccc2F)c2ccccc2[C@@]12NN=C(c1ccccc1)S2 2052484 BABKOFUBFRDSHB-QFIPXVFZSA-N 389.455 4.224 10 40 GICB Cc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)c(C)n1-c1ccccc1 3322535 BOQHIDCAKLIOMV-UHFFFAOYSA-N 396.874 4.221 10 40 GICB Cc1ccc([C@H](c2cc(Cl)c3cccnc3c2O)N2CCN(C)CC2)cc1 22861020 SMBVLTDYPBOIRN-OAQYLSRUSA-N 381.907 4.239 10 40 GICB CCN1C(=O)/C(=C/c2sccc2C)C(=O)N(c2ccc(Cl)cc2)C1=S 1122016 VQYWOBIVIAARFC-UVTDQMKNSA-N 390.917 4.274 10 40 GICB CCCCNC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 4263427 JCTYXSHZJVIOFL-ICFOKQHNSA-N 390.574 4.365 10 40 GICB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C1\SC(=S)NC1=O 9515362 UBJUXPNWAYGVPL-SDQBBNPISA-N 384.313 4.035 10 40 GICB CCn1nnc2c3c(c(Nc4cccc(C)c4)cc21)C(=O)c1ccccc1C3=O 12413753 HGQZXLYMARWVMM-UHFFFAOYSA-N 382.423 4.279 10 40 GICB S=C(NCc1ccc(N2CCCC2)cc1)Nc1ncc(Cl)cc1Cl 223949148 JHKXHYBAKIBKFU-UHFFFAOYSA-N 381.332 4.475 10 40 GICB CCSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1 408991562 QJXAGGGVWKHXFE-FQEVSTJZSA-N 394.544 4.419 10 40 GICB Cc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 409331459 FSGGZRVKQCBIMA-BAQGIRSFSA-N 386.795 4.027 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3c(C)cc(C)cc3C)C(=O)NC2=S)cc1 409376391 XVAMENSVMMJRRC-XDHOZWIPSA-N 378.497 4.006 10 40 GICB COc1ccc(N2CCN(c3ncnc4c3[nH]c3cccc(C)c34)C[C@H]2C)cc1 2403060 OXXRKQDODAAULS-MRXNPFEDSA-N 387.487 4.143 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COc3nncc4ccccc34)c2C)cc1 6832000 GKWRMUUJPHPSHO-UHFFFAOYSA-N 387.439 4.308 10 40 GICB O=C(CSc1nc2cc(Cl)c3cccnc3c2o1)c1ccc(O)c(O)c1 15109193 GSWVBJOPBFJOAQ-UHFFFAOYSA-N 386.816 4.416 10 40 GICB Cc1ccsc1/C=C1/SC(=S)N(NC(=O)c2ccc(Cl)cc2)C1=O 40940296 WFXIPSWMEOTVHN-MDWZMJQESA-N 394.930 4.256 10 40 GICB CC(C)Oc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 225839351 FKKIDZZEFMMNNN-QGZVFWFLSA-N 399.560 4.358 10 40 GICB CC[C@H](C)Oc1ccccc1/C=C1\C(=O)NC(=S)N(c2ccccc2C)C1=O 409255452 ZWFJWSKAVLXUOW-XOAFGZPJSA-N 394.496 4.004 10 40 GICB C[C@H]1Cc2cc(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 2241715 VPEHQDFEVBNRNX-ITRAFESCSA-N 381.522 4.454 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc(OC)c1O 7165961 WWRGVCXDWYZAHU-YBEGLDIGSA-N 387.482 4.124 10 40 GICB COc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1NC(=O)C(C)C 20733108 BOCZYFPXNLIYEX-UHFFFAOYSA-N 378.476 4.050 10 40 GICB CCc1ccc(-n2c(C)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2C)cc1 35128699 KKBGBCKOAXEGQJ-JCMHNJIXSA-N 385.467 4.118 10 40 GICB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc(Cl)c1O 408972206 NKBMCZIRLDKXPM-GHXNOFRVSA-N 396.752 4.403 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)cc1 1090125 PKHTXOVJPFWMDN-BOPFTXTBSA-N 387.482 4.118 10 40 GICB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1cccc(O)c1 2361619 FRVGXZYSWCACAO-SFQUDFHCSA-N 398.509 4.012 10 40 GICB COc1cc(/C=C/C(=O)NCCCCN=[N+]=[N-])ccc1OCc1ccccc1 5759321 YUZZVUQSQREMCE-ZRDIBKRKSA-N 380.448 4.494 10 40 GICB O=C1OC(C23CC4CC(CC(C4)C2)C3)=N/C1=C/c1ccc(N2CCOCC2)cc1 6397865 UEXKZCLCHCFPMD-CIAFOILYSA-N 392.499 4.036 10 40 GICB O=C(Cc1cccc(Br)c1)NCc1ccc(N2CCCCC2)cc1 225617014 OMOWSMKGDOQNNN-UHFFFAOYSA-N 387.321 4.298 10 40 GICB COc1ccc(-c2cnc(SCC(=O)NCC(C)C)n2Cc2ccco2)cc1 1355665 HBMLZXQFNCILEX-UHFFFAOYSA-N 399.516 4.064 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3OC)SC2=S)cc1 5907860 UKUHNVOJIRUYLL-LFIBNONCSA-N 387.482 4.118 10 40 GICB CCOc1cc(/C=C2\SC(N3CCCCC3)=NC2=O)ccc1OC(F)F 8117841 XEHBKJVMBYWBSN-PTNGSMBKSA-N 382.432 4.143 10 40 GICB COc1cc(OC)c(C2=CCN(Cc3cc4c(cc3O)CCC4)CC2)c(OC)c1 32869452 ULTSNPHURZRVGZ-UHFFFAOYSA-N 395.499 4.196 10 40 GICB COc1ccc([C@@H](C)[C@@H](N=[N+]=[N-])C(=O)N2C(=O)OC[C@H]2c2ccccc2)cc1 104159734 NZFYZLLMZQSARH-JEBQAFNWSA-N 380.404 4.198 10 40 GICB Cc1cccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccc(O)cc2)c1 408759556 HAOZNVMQGZIJNJ-UDWIEESQSA-N 398.418 4.264 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccc3C)c2C)C(C(=O)OC)=C1C 1104141 HRAOJMAZLFRVFP-UYRXBGFRSA-N 378.472 4.095 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)c1 4704550 QCIJDHUJSAAKOC-OVCLIPMQSA-N 389.238 4.277 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1OC 13645395 DIXVCDMBFHSQHQ-PDGQHHTCSA-N 385.510 4.495 10 40 GICB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(O)cc2)cc1 408765563 MFNCYRPHHSUZIW-CPNJWEJPSA-N 376.437 4.297 10 40 GICB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccccc1Cl 1236259 HWDKXTRFTWRQIG-ZROIWOOFSA-N 392.864 4.025 10 40 GICB COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4959537 HLPFWSVVQWOJLB-BXTJHSDWSA-N 382.416 4.447 10 40 GICB COC(=O)C1=C(C)N([C@@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(OC)cc1 6634336 AEWGPAHIQRKLMT-CPOQMQJTSA-N 377.440 4.129 10 40 GICB O=C1N=C(O)/C(=C/c2ccc(N3CCCCC3)o2)C(=O)N1c1ccc(Cl)cc1 8766781 LFIHHQFSNLYAKY-VBKFSLOCSA-N 399.834 4.430 10 40 GICB Oc1ccc2ccccc2c1CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 27505697 PTDLOIPUUNLIRU-UHFFFAOYSA-N 387.405 4.281 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c(OC)c1 35040327 JUGXNVWEHBHWAO-CXUHLZMHSA-N 375.446 4.249 10 40 GICB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CCOC)C3=O)c2C)cc1 409123803 IRMGBNFYVRXDSP-CPNJWEJPSA-N 384.501 4.339 10 40 GICB COc1cccc(Cn2c(-c3cccc(OC)c3O)nc3ccccc32)c1O 811071 NUQXJJBQDJMSBH-UHFFFAOYSA-N 376.412 4.180 10 40 GICB CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc12 20412627 LQDBMTBXSWCQHZ-UHFFFAOYSA-N 383.444 4.025 10 40 GICB biogenic COc1ccc(N2C(=O)/C(=C\c3ccccc3OC)SC2=S)c(OC)c1 35038900 SKNRKLGPNUZPDA-LICLKQGHSA-N 387.482 4.118 10 40 GICB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(-n3c(C)ccc3C)cc2)CC1=O 408708855 USWPISSMSHFSPN-IBGZPJMESA-N 387.483 4.394 10 40 GICB CCOc1cc2c(cc1/C=C1/SC(=S)N(c3ccccc3)C1=O)OCO2 408961877 PCASSZLMUUVIDJ-RQZCQDPDSA-N 385.466 4.220 10 40 GICB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccccc2C)cc1 6811730 XTUQPZVMYONMDQ-UHFFFAOYSA-N 392.455 4.128 10 40 GICB C[C@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCOCC2)cc1 65222471 WPXQIJMIRYKOAN-AWEZNQCLSA-N 375.925 4.224 10 40 GICB CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc([N+](=O)[O-])cc1 100807941 CSCFYQXMBQESCR-MHWRWJLKSA-N 386.205 4.163 10 40 GICB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)cc1 224366104 JTDILSFMFAZWEA-GOSISDBHSA-N 380.532 4.495 10 40 GICB CC[C@@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374335 ZGBJEPYGRLQJMX-OQTCTZCMSA-N 387.885 4.180 10 40 GICB CCCOc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc1OCC 408933477 AGYFIOBPRJIFKM-XMHGGMMESA-N 392.455 4.316 10 40 GICB O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(F)cc1 1262314 YIVHITCIOIPLOT-RVDMUPIBSA-N 390.461 4.039 10 40 GICB COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)NC2=O)c1 2361792 AWLARDCPBBJEDU-GZTJUZNOSA-N 393.493 4.037 10 40 GICB COC(=O)c1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 5371720 QPFCWINSJNIKRQ-YVLHZVERSA-N 397.477 4.082 10 40 GICB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(O)cc3)=NN12 10214204 NHNXXFIQYOINBY-LJQANCHMSA-N 383.879 4.011 10 40 GICB CC(=O)N1N=C(c2cccc(Br)c2)C[C@H]1c1ccc(N(C)C)cc1 95115905 KAZUNGIGYVUWIQ-IBGZPJMESA-N 386.293 4.213 10 40 GICB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc([N+](=O)[O-])cc1 113830540 CABGNPCAWMGBAI-SXGWCWSVSA-N 381.438 4.482 10 40 GICB COC(=O)c1ccc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)o1 631222 VGJSDDMLPHVXGD-UHFFFAOYSA-N 376.364 4.419 10 40 GICB biogenic CN1C(=O)C(=Cc2ccc(Sc3cccc4ccccc34)o2)C(=O)N(C)C1=O 5025755 SLJOEMAWPNBYKA-UHFFFAOYSA-N 392.436 4.018 10 40 GICB Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc4c(c3)OCCO4)SC2=S)c1 96921020 XQKQPMZUMATFJB-WQRHYEAKSA-N 383.494 4.480 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1OC 225416042 QVWRDCQCVFOIQF-UHFFFAOYSA-N 385.533 4.181 10 40 GICB Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)c1ccc(Br)cc1 1436991 LUPRSCOFNCEJRN-UHFFFAOYSA-N 384.295 4.387 10 40 GICB COC(=O)c1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 15008335 IBXNLQKWCQRVLQ-GZTJUZNOSA-N 383.494 4.496 10 40 GICB Cc1ccc(C=C2C(=O)N(c3ccccc3)C(=S)N(c3ccccc3)C2=O)o1 722523 CRMDULFXPDGVRY-UHFFFAOYSA-N 388.448 4.336 10 40 GICB CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCCc1ccc(Cl)cc1 103916380 QUWAYQSNFORRLR-UYRXBGFRSA-N 398.850 4.077 10 40 GICB CC(C)OC(=O)CN1C(=O)/C(=C/c2c(Cl)cccc2Cl)SC1=S 1276541 UUTMLPQNBNHJGL-SDQBBNPISA-N 390.313 4.146 10 40 GICB COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 4172094 SYIBZGJJUGLAAE-SIFCLUCFSA-N 382.416 4.447 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)Cn3cnc4sccc4c3=O)c2C)cc1C 7226247 QGJPQFLFXCPSPR-UHFFFAOYSA-N 391.496 4.365 10 40 GICB Cc1cc(O)c(CN2CCC(C(=O)NCc3ccccc3)CC2)cc1C(C)C 12810708 HZUSRFWWYCFMMN-UHFFFAOYSA-N 380.532 4.352 10 40 GICB Oc1c([C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc2cccnc12 19680916 HCJRDVCEUFLOHP-IBGZPJMESA-N 388.389 4.381 10 40 GICB CCc1cc(O)c(CN(C)C)c2oc(C)c(Oc3ccccc3[N+](=O)[O-])c(=O)c12 25326340 ATLITFXZVJXQQM-UHFFFAOYSA-N 398.415 4.132 10 40 GICB O=C(NN1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S)c1cccs1 409328608 YQOMPPNEDNNNCX-GHXNOFRVSA-N 398.893 4.087 10 40 GICB CCc1ccc(/C=C2\SC(=S)N([C@@H](Cc3ccccc3)C(=O)O)C2=O)cc1 5373531 OXUCVRLBKMPSJX-XIDKLXSXSA-N 397.521 4.146 10 40 GICB CCOc1ccc(/C=C2/SC(Nc3ccc(OC)cc3)=NC2=O)cc1OC 6870523 FXUOWUAAJCVXMV-LDADJPATSA-N 384.457 4.185 10 40 GICB CCOC(=O)C1CCN(Cc2c(O)ccc3cc(Br)ccc23)CC1 6997941 LBUDKGZXGHTYKH-UHFFFAOYSA-N 392.293 4.083 10 40 GICB COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(CC=C(C)C)c(OC)c2c1=O 2332243439 ZVFHMFIOOTYLJQ-UHFFFAOYSA-N 398.411 4.103 10 40 GICB N=C1S/C(=C\c2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1Cl 4185901 FEDXEHFNCYRBKK-FNUYTPMSSA-N 399.903 4.232 10 40 GICB CCOc1cccc([C@@H]2CC(c3ccc(C)cc3)=NC3(CCN(C)CC3)N2)c1O 65298318 VCDMXLZESSHXNU-NRFANRHFSA-N 393.531 4.045 10 40 GICB biogenic CCN(CC)c1ccc(CNC(=O)Cc2cccc(Br)c2)cc1 225624832 XXYVVZBPDAQBJI-UHFFFAOYSA-N 375.310 4.154 10 40 GICB Cc1ccc(OCCOc2cccc(/C=C3\SC(=S)N(C)C3=O)c2)cc1 4547750 XASFWAFBAWIRBJ-AQTBWJFISA-N 385.510 4.284 10 40 GICB COc1ccc(C[C@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 8161542 WKXAYZLMHRQYAS-QGZVFWFLSA-N 391.945 4.363 10 40 GICB COc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)N2c2ccccc2)cc1 408754049 IHAHDUDWBDSPCK-DEDYPNTBSA-N 398.418 4.258 10 40 GICB C[C@@H]1Cc2cc(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)ccc2O1 16810419 VPEHQDFEVBNRNX-RMENWYJGSA-N 381.522 4.454 10 40 GICB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1OC 225694390 JJFHGKQNASLGFR-OAHLLOKOSA-N 385.533 4.352 10 40 GICB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@H]21 10215930 NFYACXHBDUDVSM-AUSIDOKSSA-N 387.439 4.347 10 40 GICB Cc1cc(C)cc(-n2c(C)cc(/C=C3/C(=N)N4C=CSC4=NC3=O)c2C)c1 20037205 IBHWNVUTVATOPB-WSRSWEMPSA-N 376.485 4.488 10 40 GICB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3nnc(C(C)C)o3)cc2)CC1 36752387 WRKVZIPILDIGIY-QGZVFWFLSA-N 384.524 4.239 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccccc1 59514491 QESWIGIQUGXTNN-SFQUDFHCSA-N 399.493 4.136 10 40 GICB Cc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n1-c1ccccn1 222597868 LJOOGVLKWLAFRE-IWMITWMQSA-N 389.528 4.473 10 40 GICB CCCN1C(=O)/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S 409333487 TZSKMMVXWPRZLW-WJDWOHSUSA-N 387.486 4.056 10 40 GICB CCOc1cccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 89269914 UPVSDLPJIJRRTR-LJQANCHMSA-N 376.412 4.375 10 40 GICB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NCC(C)C)cc1 112121175 ULJGZKZWNJIXOL-HKWRFOASSA-N 381.451 4.105 10 40 GICB COc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cn1 260742320 VAKOSJLHQHKSLV-JKSUJKDBSA-N 384.549 4.374 10 40 GICB Cc1cc(N2CCCC2)ccc1/C=C1\NC(=O)N(Cc2ccccc2Cl)C1=O 4702440 LNMHGGQZGRAERZ-MOSHPQCFSA-N 395.890 4.342 10 40 GICB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1C 223484935 SOFNQWHAOYXGKR-UHFFFAOYSA-N 395.480 4.344 10 40 GICB NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1 5389939 RAXCZVLATPROIR-UHFFFAOYSA-N 383.860 4.432 10 40 GICB COC(=O)C1=C(C)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1ccc(Cl)cc1 408584104 LPULZAINKXLQCH-BOPFTXTBSA-N 398.802 4.125 10 40 GICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O 408797288 CFXZSZUSFASXDS-LFIBNONCSA-N 398.846 4.022 10 40 GICB COc1ccc(N(C)CN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)cc1 5319507 WBGAQAQUGSJFTH-GZTJUZNOSA-N 388.876 4.479 10 40 GICB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](C(=O)C=[N+]=[N-])[C@@]4(C)CC[C@@H]32)C1 4104883 VZJASVVRXMLTSG-RTUCGJEGSA-N 384.520 4.367 10 40 GICB biogenic,in-vitro Cc1ccc(/C=C2/SC(=S)N(CCCC(=O)Nc3cccnc3)C2=O)cc1 17373757 UFBGVEBQOSOSLD-SFQUDFHCSA-N 397.525 4.010 10 40 GICB O=[N+]([O-])c1ccc(NN2C=C3CCCC4=NN(c5ccccc5)S2=C34)cc1 17118459 QDHKAGRSGBLKBP-UHFFFAOYSA-N 379.445 4.453 10 40 GICB O=C1N=C(O)/C(=C\c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(F)cc1 27532417 KCYKPBLCCQAUDI-NTEUORMPSA-N 378.281 4.351 10 40 GICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1Cl 408797326 CJYJMEVAVBBWHQ-LFIBNONCSA-N 398.846 4.104 10 40 GICB Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)C1=O 409014419 POIZAFHCAWPEPO-SFQUDFHCSA-N 390.370 4.061 10 40 GICB O=[N+]([O-])c1cccc(CN(Cc2cccc([N+](=O)[O-])c2O)c2ccccc2)c1O 1679796 MNFRIACHQSGILH-UHFFFAOYSA-N 395.371 4.121 10 40 GICB CN(CCCNC(=S)Nc1cccc(Br)c1)c1ccccc1 8106834 KDUMPRQRVIZQGJ-UHFFFAOYSA-N 378.339 4.262 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccccc3OC)C2=O)cc(OC)c1 409340071 QAAUGPLWHHPDGC-LICLKQGHSA-N 387.482 4.118 10 40 GICB O=C(CSCc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCCC2)cc1 13675415 ZXRNHZIFKNLLIW-UHFFFAOYSA-N 399.516 4.135 10 40 GICB CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 16284815 DVTNIUITICWUIC-YBEGLDIGSA-N 383.835 4.374 10 40 GICB Cc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 98063082 DYOYEHWFTUFVOH-FMIVXFBMSA-N 391.279 4.133 10 40 GICB Oc1ccc(O)c(C2=NN3[C@H](c4ccncc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 102829020 LJOPNTQDYQLILI-NQIIRXRSSA-N 393.830 4.389 10 40 GICB COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@H]21 102829022 FFWLQISPOPZIPC-XXBNENTESA-N 387.439 4.347 10 40 GICB COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)c1 103604799 VNPAOKJSQCEZRS-COWRMMGYSA-N 392.484 4.270 10 40 GICB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 208519703 YBJVDZDUOVLOBL-RQZCQDPDSA-N 385.445 4.447 10 40 GICB O=C1N=C(N2CCN(c3ccc(Cl)cc3)CC2)S/C1=C\c1ccccc1 1471534 HPYIPXLKJBIKTL-JXAWBTAJSA-N 383.904 4.133 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1OC 5371343 ADOZOQIKVNGYSF-BOPFTXTBSA-N 399.493 4.312 10 40 GICB COc1cc(Br)cc(/C=C2\SC(c3ccccc3)=NC2=O)c1O 15015698 DNZIKCRHBOAVMH-ZSOIEALJSA-N 390.258 4.224 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260802961 TYIATXWQLJPKLJ-RDJZCZTQSA-N 390.524 4.410 10 40 GICB COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc(OC)c1OC 4959409 SYIBZGJJUGLAAE-MDOVXXIYSA-N 382.416 4.447 10 40 GICB O=C1c2ccccc2C(=O)c2cc(C(=O)N3CC[C@H](c4ccccc4)C3)ccc21 12376166 CZDFHWFZSFNDOX-SFHVURJKSA-N 381.431 4.092 10 40 GICB COc1ccc(N2C(=O)c3ccccc3N(C)[C@H]2c2cccc(OC)c2O)cc1 12735274 CCZNHWLMGXKTAT-JOCHJYFZSA-N 390.439 4.205 10 40 GICB Cc1cccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 28288118 RJTWXZJYFQDBCR-UHFFFAOYSA-N 375.472 4.068 10 40 GICB O=C1NC(=S)S/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 113834157 XEDRJKYCKCVNMT-RQZCQDPDSA-N 395.465 4.087 10 40 GICB CCCCN1C(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N=C1O 5047373 MLNVIERGRSPTPG-NBVRZTHBSA-N 387.439 4.301 10 40 GICB COC(=O)c1ccc(/C=C2/SC(Nc3ccc(F)c(Cl)c3)=NC2=O)cc1 8378210 AEMSYYROBXRASL-OVCLIPMQSA-N 390.823 4.348 10 40 GICB COc1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1 13037742 IBOLQDAPBQACOK-WOJGMQOQSA-N 381.478 4.420 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 13614804 KWSXAQPNOODHNO-ATVHPVEESA-N 383.429 4.311 10 40 GICB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)o1 33337343 HGMDRTQYKBBDMU-GZTJUZNOSA-N 388.876 4.211 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)cc1 38172390 JYMIXXXWTNINHW-GZTJUZNOSA-N 396.468 4.079 10 40 GICB COc1cccc(N2C(=O)/C(=C/c3cnc4ccccc4n3)SC2=S)c1 54361187 XNCZKVCCNYEBGK-MFOYZWKCSA-N 379.466 4.044 10 40 GICB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc4c(c3)OCCO4)cc2)C1 260905923 TXFXIHTUYKUYAF-DLBZAZTESA-N 380.488 4.185 10 40 GICB CN1CCc2cc([C@@H](CNC(=O)Nc3ccccc3)N3CCCCC3)ccc21 35597221 XNLGPJRBZLSNPU-JOCHJYFZSA-N 378.520 4.028 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccc(O)cc1 408893848 NRZUASRVOAQPJF-MOSHPQCFSA-N 377.440 4.393 10 40 GICB CCN(CC)c1ccc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc1 1445361 JJQABRIHEDHFHQ-PDGQHHTCSA-N 379.416 4.094 10 40 GICB COc1cc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)ccc1O 5743806 KYEFFTBTODNNIY-JYRVWZFOSA-N 396.752 4.403 10 40 GICB Cn1cc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c2ccccc21 13787184 APEGBEXNVUBAJY-LSCVHKIXSA-N 394.477 4.313 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccc(OC)cc1 409022150 GMRWXZVVJBZEMW-MOSHPQCFSA-N 377.440 4.189 10 40 GICB Cc1cccc([C@@H]2Nc3ccc(C(=O)NCCC(=O)O)cc3[C@H]3C=CC[C@H]32)c1 4623595 MRNCWLHCXNCXOA-SVMVAKDDSA-N 376.456 4.026 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cccnc3Cl)c2C)cc1 5711473 BJSKGPPZOSKSTA-UHFFFAOYSA-N 398.846 4.191 10 40 GICB CN(C)c1ccc([C@@H]2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1 6351438 FKIBCVJAHVKGOY-INIZCTEOSA-N 382.514 4.188 10 40 GICB Cn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)c2ccccc21 13765795 XIYVXYQRQLFNOT-SXGWCWSVSA-N 379.803 4.338 10 40 GICB Cc1cccc(N2C(=O)/C(=C/c3c(Cl)cccc3Cl)C(=O)NC2=S)c1 2287163 DCNDUDLPIAGVEY-UKTHLTGXSA-N 391.279 4.133 10 40 GICB CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H]2CCC[C@H](C)C2)cc1 3879087 XDVZBBHKOJWUPB-NYSBEXSLSA-N 399.535 4.283 10 40 GICB O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccccc1 4263568 PIGMQLOENHGLRQ-DQBOXZGESA-N 394.521 4.473 10 40 GICB CC(C)c1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)C(=O)NC2=S)cc1 6828591 XTYSZFPEPMOKIW-WQRHYEAKSA-N 389.480 4.123 10 40 GICB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccccc1OC 58883916 UEYBFYMYKAGYTM-BOPFTXTBSA-N 383.831 4.226 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C 409060000 UEZGYVVXQGYYRS-NDENLUEZSA-N 396.462 4.314 10 40 GICB O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 4718525 PJWMSJZDTARCKR-OGHNNQOOSA-N 381.344 4.028 10 40 GICB O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccccc1 1011241 ZUVVSJROYVZGTF-VBKFSLOCSA-N 386.473 4.056 10 40 GICB Cc1ccccc1SCC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 7988917 RKXHSFKAHXRTSE-OAQYLSRUSA-N 398.572 4.361 10 40 GICB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 16677623 KYPFHZXHBBGHQE-FIUUKJSMSA-N 381.478 4.270 10 40 GICB COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccc(O)cc1 408847872 VODXIJFYYFYAMT-QGOAFFKASA-N 376.437 4.297 10 40 GICB CCOc1ccccc1/C=C1\SC(=S)N(c2cccc([N+](=O)[O-])c2)C1=O 409342045 CXZOXWQALBXORQ-YBEGLDIGSA-N 386.454 4.399 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3)c2C)C(C(=O)OC)=C1C 3651907 IOAATRBNGTWDJB-MOSHPQCFSA-N 378.472 4.095 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)[C@@H](c1ccccc1)N1CCCC1 35322732 UNZAHZWWMSFGAT-HSZRJFAPSA-N 377.532 4.130 10 40 GICB COc1cccc(-n2c(C)cc(C(=O)N3CCN(c4ccccc4)CC3)c2C)c1 36397997 PFIQVJXRSSDTJV-UHFFFAOYSA-N 389.499 4.065 10 40 GICB COC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1C 225695298 DYKDGFQWGSMTBQ-INIZCTEOSA-N 397.544 4.429 10 40 GICB COc1ccc(CCN2C(=O)/C(=C\c3ccc(C)o3)SC2=S)cc1OC 5371567 GGFWIQCJPUKCFO-GZTJUZNOSA-N 389.498 4.049 10 40 GICB O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(Cl)cc1 1312392 OOUQPKQEGQDEKJ-MDWZMJQESA-N 394.930 4.241 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(OC)cc1 12413435 ZEHKJCAIHSMLMR-ZHZULCJRSA-N 377.440 4.271 10 40 GICB CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccncc2)SC1=S 18063141 NXKOQXANEXOKQW-SFQUDFHCSA-N 392.509 4.155 10 40 GICB Cc1cc(C(=O)Cn2cccc(C(F)(F)F)c2=O)c(C)n1-c1ccc(F)cc1 27063872 ZJVOIVQGYZFLOK-UHFFFAOYSA-N 392.352 4.297 10 40 GICB CN1CCCc2cc(CNC(=O)CSc3nc4ccccc4s3)ccc21 95390002 MERDFIHWSVGONM-UHFFFAOYSA-N 383.542 4.087 10 40 GICB CCc1ccc(-n2c(C)cc(/C=c3\sc4nc5ccccc5n4c3=O)c2C)cc1 104520330 UDFYAAVQXVKTRJ-HMAPJEAMSA-N 399.519 4.427 10 40 GICB CCCCCN/C(C)=C1\C(=O)N(c2ccc(OC)cc2)N=C1c1ccccc1 112119600 VYJMOBTYRHPXTC-FXBPSFAMSA-N 377.488 4.500 10 40 GICB CCCCCN/C(C)=C1\C(=O)N(c2ccccc2)N=C1c1ccc(OC)cc1 112119625 MTBLABMQNSLELH-FXBPSFAMSA-N 377.488 4.500 10 40 GICB O=C1/C(=C/c2c(-c3ccccc3)[nH]c3ccccc23)C(O)=NC(=S)N1C1CC1 2372425 LFAGIKOILPTKFU-SFQUDFHCSA-N 387.464 4.464 10 40 GICB CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C(C(=O)OC)=C1C 3651911 BBXZNEQNDIUUKU-BKUYFWCQSA-N 392.499 4.403 10 40 GICB CCOC(=O)Cn1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c2ccccc21 6318973 SJVKKBZDWMLBRX-DEDYPNTBSA-N 387.439 4.011 10 40 GICB Cc1ccccc1Cn1cccc1/C=C1/C(=N)N2N=C(C(C)C)SC2=NC1=O 41083279 BONRIDZIVYCKAZ-JMCWYTMQSA-N 391.500 4.120 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1Cl 225423739 KBUUGKNEZREEDE-UHFFFAOYSA-N 375.925 4.435 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 409001344 PGPGTHJPTXKGMQ-QNGOZBTKSA-N 390.483 4.328 10 40 GICB O=C1N=C(N2CCN(c3cccc(Cl)c3)CC2)S/C1=C\c1cccs1 1471569 DDEYIRDVKLBIOS-VBKFSLOCSA-N 389.933 4.194 10 40 GICB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1ccc2c(c1)OCO2 20149651 GJVVUSQHWVZEJW-IDUWFGFVSA-N 380.450 4.302 10 40 GICB C=CCOc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33370916 LZWROJXAUMMHKA-ZROIWOOFSA-N 389.238 4.020 10 40 GICB CC(C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59135955 JIIMALXZHGTUKI-RVDMUPIBSA-N 384.432 4.285 10 40 GICB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)n1 140165380 PTQMIQPCIBTTLG-UHFFFAOYSA-N 388.515 4.078 10 40 GICB CCOC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(C(=O)OC)cc1)N2 4959453 MBTPSYGHODMTSU-OPYAIIAOSA-N 377.440 4.476 10 40 GICB COc1ccccc1C1(O)CCN(Cc2ccc(N3CCCC3)c(C)c2C)CC1 19577302 XGDLPBWBTAHZSF-UHFFFAOYSA-N 394.559 4.396 10 40 GICB O=c1cc(-c2ccccc2)c2cc(Cl)c(O)c(CNC[C@@H]3CCCO3)c2o1 20646706 PZJQTHHXYKTVFT-AWEZNQCLSA-N 385.847 4.088 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 100363312 WISYTIMGRJFFAQ-XMHGGMMESA-N 390.443 4.391 10 40 GICB COc1ccc(NC(=S)NCCCN(C)c2ccccc2)c2cccnc12 225749354 LZPSPHQOSFFWGM-UHFFFAOYSA-N 380.517 4.056 10 40 GICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)cc2C)C1=O 408803502 PUHYYRFMARQTKL-LFIBNONCSA-N 398.846 4.022 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)/C=C/c1cccc2ccccc12 10394313 BLLQKXUCNVCFAO-SDNWHVSQSA-N 386.495 4.348 10 40 GICB O=C1CCCN1c1ccc(CNCc2ccc(N3CCCCCC3)cc2)cc1 24754389 UUKBBAKKDSZJEK-UHFFFAOYSA-N 377.532 4.484 10 40 GICB Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@H](c2c(F)cccc2Cl)C1 12409614 KEIVZUUKCZYFTK-AWEZNQCLSA-N 386.810 4.347 10 40 GICB O=C(NCc1ccc(N2CCSCC2)cc1)c1cc2ccccc2cc1O 69529668 SMANDCIZEMPCAS-UHFFFAOYSA-N 378.497 4.029 10 40 GICB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cn(CC(=O)O)c2ccccc12 102803724 FBCUKHDTFTZORK-GIJQJNRQSA-N 393.830 4.185 10 40 GICB CC(C)(C)OC(=O)N1[C@H]([C@@H](O)c2ccccc2)CC[C@@H]1Cc1ccc(N)cc1 169486232 BTXYRUJPXJOEHP-HKBOAZHASA-N 382.504 4.313 10 40 GICB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 218160071 SILOPWUEXIQFDZ-IAGOWNOFSA-N 381.476 4.251 10 40 GICB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 408999007 VTGFCHKDDPTVGG-NSIKDUERSA-N 393.877 4.145 10 40 GICB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCOCC(F)(F)F 409376509 BKGMTOASBCVMIG-UHFFFAOYSA-N 375.774 4.405 10 40 GICB O[C@]1(c2ccc(Cl)cc2Cl)CN(c2ccccc2)C2=[N+]1CCCS2 3226878 MQLYLSGXDJMIQB-SFHVURJKSA-N 380.320 4.164 10 40 GICB CCOC(=O)[C@H]1CCCN(Cc2c(O)ccc3cc(Br)ccc23)C1 3336854 JJBBFGQVUKCGPB-AWEZNQCLSA-N 392.293 4.083 10 40 GICB O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@]12NN=C(c1ccccc1)S2 4689926 KXBALNFAYVHLCK-JOCHJYFZSA-N 389.455 4.224 10 40 GICB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c1 7378619 VYDJCCOBJLYNRB-GOSISDBHSA-N 376.456 4.128 10 40 GICB COc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 169681516 JFJJWMWSKHJBSG-CVDCTZTESA-N 387.439 4.347 10 40 GICB COc1ccc(C2=C/C(=C3/c4ccccc4-c4ncccc43)C(=O)O2)c(OC)c1 4182342 YWNHTWKUYZAAKJ-ZBJSNUHESA-N 383.403 4.479 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)c1 9419725 SNRSKHLZMLQBMK-RQZCQDPDSA-N 395.461 4.109 10 40 GICB COc1cccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1O 19362068 UDTBCHLPTINKIU-UHFFFAOYSA-N 388.511 4.308 10 40 GICB CCn1cc(/C=C2\C(=O)N(c3ccccc3F)C(=O)N=C2O)c2ccccc21 33330598 HTSQRJIYJFZJLK-PTNGSMBKSA-N 377.375 4.307 10 40 GICB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 225289497 QWZFUEOUUYMYSS-SFHVURJKSA-N 378.516 4.249 10 40 GICB CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1cccc(F)c1 408532898 WQYPIZLRZRYLND-YVLHZVERSA-N 389.473 4.292 10 40 GICB COc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 408736526 XJZOBLWXTOWBCW-SIFCLUCFSA-N 381.428 4.237 10 40 GICB O=C1/C(=C/c2ccc(N3CCCC3)cc2)C(O)=NC(=S)N1c1ccccc1F 4106740 UFDHMUBFIDMWSN-DTQAZKPQSA-N 395.459 4.098 10 40 GICB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 260466438 SILOPWUEXIQFDZ-DLBZAZTESA-N 381.476 4.251 10 40 GICB CSc1cccc(N2C(=O)/C(=C3/C(=O)Nc4ccccc43)SC2=S)c1 409346749 LFQANZCOBUHJMU-PFONDFGASA-N 384.507 4.137 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1ccccc1O 2307341 FCXMOSRWUYENDH-RGEXLXHISA-N 393.439 4.058 10 40 GICB COc1ccc(/C=C2\SC(=S)N(CCc3nc4ccccc4o3)C2=O)cc1 54360585 LPCIYWUXKFAFQL-ATVHPVEESA-N 396.493 4.280 10 40 GICB CC1=NN(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O 100540776 BXXFZVDWGLVIKW-NTUHNPAUSA-N 392.198 4.413 10 40 GICB COc1ccc(C2=N/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccccc2)cc1 408754966 PHOVMNGZIQNQKS-RCCKNPSSSA-N 399.406 4.438 10 40 GICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C1=O 409225205 JVJSNWTZTMOGCL-LDADJPATSA-N 388.464 4.306 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c(OC)c1 5371353 WTIFENGNFZICJM-ZDLGFXPLSA-N 399.493 4.312 10 40 GICB CCOc1ccc(N2C(=O)/C(=C/c3ccc(NC(C)=O)cc3)SC2=S)cc1 409351104 ZNBGQCXULGJPMI-PDGQHHTCSA-N 398.509 4.450 10 40 GICB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@H](C)C(=O)O)C3=O)o2)cc1 5032702 XTLQZQUDMJLQAZ-HPUUJOOBSA-N 387.482 4.183 10 40 GICB CC(C)(C)NC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370934 FQAIHYBJXRCCCK-LRPPNIKISA-N 388.558 4.139 10 40 GICB Cc1cccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)C(=O)NC2=S)c1 6199764 DCNDUDLPIAGVEY-LCYFTJDESA-N 391.279 4.133 10 40 GICB CCOc1ccc(-c2ccc(/C=C3\SC(=S)N(C)C3=O)o2)c([N+](=O)[O-])c1 32969722 RSRNGSJFUSEQIN-DHDCSXOGSA-N 390.442 4.085 10 40 GICB Cc1cc(C)c(S(=O)(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 223695898 QBMJTIIVBRKWFI-MRXNPFEDSA-N 386.561 4.327 10 40 GICB CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1O 3634683 VWMPYQSPFRXTMU-UHFFFAOYSA-N 393.439 4.352 10 40 GICB COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 5371718 ZMKOJOMRXUXORQ-BOPFTXTBSA-N 397.477 4.082 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3cc(Cl)ccc3O)SC2=S)c1 6321629 KOLNANYZRNRPDX-ZSOIEALJSA-N 391.857 4.150 10 40 GICB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)no1 12530809 PTVRZMYIHWAODB-UHFFFAOYSA-N 394.456 4.219 10 40 GICB O=C(c1cccc(Cl)c1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O 95115979 RRQWVPGCHOETEC-LJQANCHMSA-N 377.831 4.432 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccc(C)cn2)c1C 222793705 WWFOSLCJMTXXTL-LEWJYISDSA-N 391.544 4.185 10 40 GICB COC(=O)c1ccc(C)c(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225416760 BCHJPFKWTQONGY-UHFFFAOYSA-N 397.544 4.259 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)ccc3C)C2=O)cc1Cl 408806743 BOEXVPMCWDYZPK-XNTDXEJSSA-N 398.846 4.022 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCCC3)c(F)c2)C(=O)N1Cc1ccccc1F 409095439 HQPFKNMMEBUYAV-CPNJWEJPSA-N 397.425 4.048 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(c3ccc(OC)cc3)C2=O)ccc1O 1786565 FLQSQFXMIYNSSH-GZTJUZNOSA-N 387.482 4.205 10 40 GICB CCc1ccc(N2C(=O)NC(=O)/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 4473798 VOQLKIJVUZKACQ-UVTDQMKNSA-N 389.238 4.222 10 40 GICB Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)n1-c1ccc(F)cc1 9658878 JGHCOFJIXLWUQC-UHFFFAOYSA-N 393.447 4.399 10 40 GICB COc1ccc(OC)c(/C=C2/C(=N)N3C(c4ccccc4)=CSC3=NC2=O)c1 13815131 JNHJPTQKEAXSLB-JTKJEDPUSA-N 391.452 4.008 10 40 GICB CCC(CC)C1=NN2C(=N)/C(=C/c3ccc(Br)o3)C(=O)N=C2S1 33729055 OSSTYHDTBQVMRT-OIFSZIAVSA-N 395.282 4.097 10 40 GICB Cc1cc(C(=O)COC(=O)[C@H]2C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 3372991 ILKHGRIDFBOTDY-ZBEGNZNMSA-N 377.387 4.077 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC 408995881 FLQZNYFXJDJOQC-CYVLTUHYSA-N 377.440 4.353 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1[N+](=O)[O-] 409017924 JUNFUTULCVGVRK-PDGQHHTCSA-N 392.411 4.089 10 40 GICB CCOc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(OC)c2)SC1=S 5960312 VHYPLDSORUMIHC-GZTJUZNOSA-N 387.482 4.205 10 40 GICB C[C@@H](NC(=O)c1cn(C)c(=O)c2ccccc12)c1ccc(N2CCCCC2)cc1 19716564 YOUNVJGXLJCDKN-QGZVFWFLSA-N 389.499 4.020 10 40 GICB O=C1N=C(Nc2ccc(F)c(Cl)c2)S/C1=C\c1ccc(C(=O)O)cc1 35397582 XIBBUVCKYAVHMW-AUWJEWJLSA-N 376.796 4.260 10 40 GICB O=C1N=C(NC2CCCCC2)S/C1=C\c1cc([N+](=O)[O-])ccc1OC(F)F 64925652 HTMJIZUTNIUYBT-ZROIWOOFSA-N 397.403 4.089 10 40 GICB O=C1N=C(Nc2cccc(Br)c2)S/C1=C\c1ccc(O)cc1 4695913 SBNMGGZLWSUOND-ZSOIEALJSA-N 375.247 4.237 10 40 GICB CCN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccccc3O)=NN12 10213954 FADFHKSJAGCCAZ-LJQANCHMSA-N 397.906 4.401 10 40 GICB Cc1cc2oc(=O)cc(C)c2c(O)c1C1=NN[C@@H](c2c(F)cccc2Cl)C1 12409613 KEIVZUUKCZYFTK-CQSZACIVSA-N 386.810 4.347 10 40 GICB CCN1C(=O)/C(=C\c2ccc(OC(C)C)c(Br)c2)SC1=S 409340522 YNHBRCFZMUCSHW-MDWZMJQESA-N 386.336 4.457 10 40 GICB Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1 3249853 AOMNSBAKKPRJOM-KRWDZBQOSA-N 376.456 4.128 10 40 GICB CC(C)Oc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCOCC3)cc2)cc1 225839313 OBFZIGNAXGLRQX-QGZVFWFLSA-N 399.560 4.358 10 40 GICB Cc1cc(C(=O)CSc2ncnc3sccc23)c(C)n1-c1ccccn1 8487975 AWGXOSZEZGNYJW-UHFFFAOYSA-N 380.498 4.469 10 40 GICB CCN1C(=O)/C(=C\c2csc(N(C(C)=O)c3ccccc3)n2)SC1=S 14244856 AJYPSTBRCRHWMT-NTEUORMPSA-N 389.527 4.049 10 40 GICB Cc1cc(C(=O)CN2C[C@H](C)O[C@@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 20507195 ALHGGSZZLWYIKB-KBPBESRZSA-N 378.875 4.179 10 40 GICB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCCc1cccs1 100213219 NUNQXANAOFBSRA-ATVHPVEESA-N 382.514 4.187 10 40 GICB CCOc1ccccc1/C=C1/SC(=S)N(c2ccc3c(c2)OCO3)C1=O 409338778 AVBVYYREZVBHQV-RQZCQDPDSA-N 385.466 4.220 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)COc3cccnc3[N+](=O)[O-])c2C)cc1C 5971020 JFQOEBRLBPYGHY-UHFFFAOYSA-N 379.416 4.276 10 40 GICB Cc1ccc(Cc2cnc(NC(=O)CSc3nccs3)s2)cc1F 89643391 KRNOESQSGMDUJB-UHFFFAOYSA-N 379.507 4.369 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccccc1OC 409062377 SSFOQCCFPLYRMD-QINSGFPZSA-N 383.831 4.226 10 40 GICB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(O)cc3)=NN12 10214201 NHNXXFIQYOINBY-IBGZPJMESA-N 383.879 4.011 10 40 GICB COc1ccc(C2=NN(c3ccc(F)cc3)C(=O)/C2=C(/C)NC(C)(C)C)cc1 17077957 DSDVYMBETZIGAQ-RGEXLXHISA-N 381.451 4.247 10 40 GICB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1c(F)cccc1Cl 20227076 AJLNTDBLXSKFPP-ZSOIEALJSA-N 376.796 4.260 10 40 GICB Cc1cccc(N2C(=O)/C(=C/c3cc(C)c(O)c(C)c3)C(O)=NC2=S)c1C 38182423 HKXVQKMBGHWOAF-MHWRWJLKSA-N 380.469 4.297 10 40 GICB CCCOc1ccccc1/C=C1/SC(=S)N(NC(=O)c2ccccc2)C1=O 40939905 HIUSQICFMFRYSO-GHRIWEEISA-N 398.509 4.022 10 40 GICB CCN(CCCNC(=O)c1cc(Cl)ccc1OC)c1ccc(OC)cc1 225041702 PCAHNOPJPXTRGL-UHFFFAOYSA-N 376.884 4.004 10 40 GICB Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3Cl)C2=O)s1 409104739 HTUOKCLYPMQRRF-JXMROGBWSA-N 381.240 4.030 10 40 GICB CCc1ccc(/C=C2\C(=O)N(c3cccc(C(C)=O)c3)C(C)=C2C(=O)OC)cc1 409381251 SMYWMYSUZYWRMA-BKUYFWCQSA-N 389.451 4.329 10 40 GICB N=C1/C(=C/c2ccc(F)cc2)C(=O)N=C2SC(Cc3ccc(Cl)cc3)=NN12 5164875 QUPDLUIRGZWNDE-OSIMKLFKSA-N 398.850 4.341 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)c1 5371382 LFARXRUZMWNKMT-WQRHYEAKSA-N 399.493 4.312 10 40 GICB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)cc2F)S1 222593478 OZHHLQRZIWMION-GKCIPKSASA-N 382.508 4.410 10 40 GICB FC(F)(F)c1ccc(NC(=S)NCc2ccc(N3CCOCC3)cc2)cc1 225420584 AHZGFKGVQSIVNP-UHFFFAOYSA-N 395.450 4.029 10 40 GICB COc1cc(N2N=C(C)/C(=C/Nc3ccc(Cl)cn3)C2=O)ccc1Cl 408536803 YFAJIJYIFLQSGV-LCYFTJDESA-N 377.231 4.116 10 40 GICB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OC)cc2O)cc1 3999725 UPXMYVPGRWFYCY-OAQYLSRUSA-N 376.412 4.181 10 40 GICB biogenic,in-vitro COc1cc(OC)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 4959538 HLPFWSVVQWOJLB-MDOVXXIYSA-N 382.416 4.447 10 40 GICB Cc1nn(C)c(C)c1[C@@H]1CC(c2ccccc2O)=NN1c1ccc([N+](=O)[O-])cc1 71785172 DHOBJPDWPGIFJO-IBGZPJMESA-N 391.431 4.006 10 40 GICB COCCN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O 409126141 GYKYAMAYVLPXAQ-XMHGGMMESA-N 382.485 4.123 10 40 GICB O=C(NN1C(=O)/C(=C\c2cccc3ccccc23)SC1=S)c1cccs1 409348304 SKRAEGURHOAALJ-LFIBNONCSA-N 396.518 4.448 10 40 GICB CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(N(CC)CC)cc1 4043601 JKGCBZXHNUIVLO-MGPUTAFESA-N 387.524 4.140 10 40 GICB O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccc2ncsc2c1 4088475 YGILEEPRSPVBTJ-UHFFFAOYSA-N 384.416 4.324 10 40 GICB CCc1ccc(/C=C2\SC(=S)N(c3ccc(O)c(C(=O)O)c3)C2=O)cc1 5373541 FQGHMEIEORSYAX-SXGWCWSVSA-N 385.466 4.059 10 40 GICB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C\c1ccc(C(=O)O)cc1 35397580 TZGJWPMNNQRKFC-ZROIWOOFSA-N 392.358 4.486 10 40 GICB COc1ccccc1C1=N/C(=C/c2ccc(F)cc2)C(=O)N1c1ccc(O)cc1 408839980 BYSWPSPOASXJJS-XSFVSMFZSA-N 388.398 4.374 10 40 GICB COC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1c(F)cccc1Cl 979488 ZYGWBEZJERVNLP-LGMDPLHJSA-N 399.849 4.394 10 40 GICB CCCCN1CCc2cc(/C=C3/C(=O)N([C@H](C)CC)C(=S)N=C3O)ccc21 5051449 QOCDRKFXCIVXOI-INQVIGDZSA-N 385.533 4.115 10 40 GICB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1ccc(O)c([N+](=O)[O-])c1 6472444 URLDMEJSAFBRBL-ZSOIEALJSA-N 375.793 4.036 10 40 GICB COc1cccc2c1O[C@H](c1ccccn1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 10215925 NFYACXHBDUDVSM-WMZHIEFXSA-N 387.439 4.347 10 40 GICB CC[C@@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 108042425 BPVRCUFQYOHUFG-KQRQPNSISA-N 386.451 4.479 10 40 GICB O=C1N=C(N2CCN(c3ccccc3F)CC2)S/C1=C\C=C\c1ccccc1 5373144 HPJQQGLUPFPBGR-LRFQPHQISA-N 393.487 4.174 10 40 GICB O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2O)N1C[C@@H]1CCCO1 12562725 BVFZGKDEIXKGDQ-KPZWWZAWSA-N 393.270 4.445 10 40 GICB O=C(O)c1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 13634765 PJWMSJZDTARCKR-PBFPGSCMSA-N 381.344 4.028 10 40 GICB CN1c2ccccc2S[C@@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@H]21 239562547 CLJYTWXMEAQEJM-TZIWHRDSSA-N 388.492 4.148 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 5516417 POHTVJGVZWMAPU-YNQUSLBMSA-N 391.500 4.350 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C\C3=Cc4ccccc4OC3)SC2=S)cc1 9420034 ALHSAHZBQSWLPS-LICLKQGHSA-N 395.461 4.109 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)[C@H](c1ccccc1)N1CCCC1 35322730 UNZAHZWWMSFGAT-QHCPKHFHSA-N 377.532 4.130 10 40 GICB CCN(CC)c1ccc(CNS(=O)(=O)c2ccc3cc(OC)ccc3c2)cc1 223407065 UFUFBAXUYIYWKI-UHFFFAOYSA-N 398.528 4.173 10 40 GICB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(N2CCCCC2)cc1 225811778 CIDCMYLQHDCOPH-UHFFFAOYSA-N 392.421 4.391 10 40 GICB CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1 409242140 MQMBFJHXJCUCDV-COYFKBPASA-N 394.496 4.004 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3Cl)C2=O)cc1C 2789047 YYBWHWYUDOOEKY-OVCLIPMQSA-N 389.238 4.277 10 40 GICB O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(-c2ccc(F)cc2)o1 5749819 XDPMTIRXIXEQLR-GZTJUZNOSA-N 382.778 4.201 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(N(C)C)cc1 6205962 VMWHYTZPZBIWAX-FQEVSTJZSA-N 395.528 4.026 10 40 GICB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 10113469 VEZYCJLMNKXZKY-UHFFFAOYSA-N 379.287 4.289 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCCC2)cc1 13669483 PEBGIDPMGSNQCM-UHFFFAOYSA-N 377.532 4.203 10 40 GICB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C\c3ccc(N4CCCCC4)o3)C2=O)c1 59138022 WVNJAHNGKIKOOQ-QGOAFFKASA-N 393.443 4.393 10 40 GICB CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3ccc(Cl)cc3)c[nH]2)cc1 67898548 ZZKAGVJWIFCSFY-NRFANRHFSA-N 396.922 4.370 10 40 GICB biogenic,in-vitro CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@H]21 871787 PHGUIQBXOQJKPJ-SQGPQFPESA-N 377.440 4.476 10 40 GICB COc1ccccc1/C=C1\SC(=S)N(c2cc(C(=O)O)ccc2C)C1=O 5371292 SODWUPUPDPHUPO-YBEGLDIGSA-N 385.466 4.108 10 40 GICB Cc1cccc(/C=C2\SC(N3CCN(c4cccc(Cl)c4)CC3)=NC2=O)c1 9189246 GDZXWJIKTGRZAX-UYRXBGFRSA-N 397.931 4.441 10 40 GICB COCCOc1cc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)ccc1OC 24937714 VWPYCLQEIAZEIX-UHFFFAOYSA-N 394.471 4.380 10 40 GICB CC1=NN(c2nc(-c3ccc(C)cc3)cs2)C(=O)[C@H]1/N=N/c1nccs1 100510906 IPVABBOHJHYFLV-PXKHIBQASA-N 382.474 4.450 10 40 GICB Cc1cccc(C(=O)NC[C@@H](c2ccc3c(c2)CCCN3C)N2CCCCC2)c1 9137938 JSJYGBMLHSJIII-DEOSSOPVSA-N 391.559 4.334 10 40 GICB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)ccc1F 225608316 XQLVQHIHCFUYDR-INIZCTEOSA-N 376.497 4.164 10 40 GICB CCOC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)cc1 409091525 UYMRHTBNIAINSH-LDADJPATSA-N 398.484 4.327 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 1263088 SENDSESJYCBKBX-WCTLISOUSA-N 394.521 4.391 10 40 GICB O=C1N=C(Nc2ccc(F)cc2)S/C1=C/c1cc2c(cc1Cl)OCO2 6096662 BMOZIHXGAPERIA-GIDUJCDVSA-N 376.796 4.290 10 40 GICB Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(Cl)c(Cl)c1 6790365 WWBNIXRRIMJIAB-UHFFFAOYSA-N 396.303 4.076 10 40 GICB Cc1cc(C(=O)Nc2ccc(F)cc2F)c(C)n1-c1ccc2c(c1)OCCO2 28272659 QTXIJBCTLXPPKP-UHFFFAOYSA-N 384.382 4.396 10 40 GICB CCc1ccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1 138589014 IEQRNPJXOLYIOH-UHFFFAOYSA-N 376.456 4.452 10 40 GICB COc1ccc2c(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)c[nH]c2c1 9420009 KKKKRWVKEYPHEE-REZTVBANSA-N 382.466 4.288 10 40 GICB Oc1cc2[nH]c3ccccc3c2cc1CN1CCN(c2ccccc2F)CC1 12555801 BIHAGALSUCQBHM-UHFFFAOYSA-N 375.447 4.488 10 40 GICB Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)n1-c1cccc(F)c1 58363222 KXILKYJKLNIKOO-UHFFFAOYSA-N 383.448 4.006 10 40 GICB Cc1cc(-n2c(C)cc(/C=C/[N+](=O)[O-])c2C)ccc1I 408773303 QOCADHGFMJOVQT-VOTSOKGWSA-N 382.201 4.255 10 40 GICB Cc1ccccc1N1C[C@](O)(c2ccc(C(C)(C)C)cc2)[N+]2=C1SCCC2 3226874 IDPQXBQNOWPVKQ-QHCPKHFHSA-N 381.565 4.463 10 40 GICB CCCCN(CCCC)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O 4181449 LNPIJUNSUYZJRA-UHFFFAOYSA-N 399.512 4.053 10 40 GICB biogenic Cc1cccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 5005477 XHZCKABQIPCHIE-GHRIWEEISA-N 382.510 4.225 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Br 6348345 BEACUJKPLZCMRA-VBKFSLOCSA-N 398.256 4.326 10 40 GICB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(N(C)C)cc2)n2c(nc3ccccc32)N1 8997436 SOBQPAGCHSUXSI-NRFANRHFSA-N 390.487 4.343 10 40 GICB Cc1ccc(O)c(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)c1 19133627 VLWPDYWHGCJLGO-WIYYLYMNSA-N 384.545 4.302 10 40 GICB COc1ccc(N2CCN(C(=O)C34CC5C[C@@](C)(C3)C[C@@](C)(C5)C4)CC2)cc1 100780784 QQYOLLKJMLCQKI-OTUXZAGOSA-N 382.548 4.340 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(OC)cc1 103917823 KCRZPHBBHKZSMN-JWGURIENSA-N 393.487 4.270 10 40 GICB CCCCC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccc2cccnc2c1O 2921375 YUDOINUASGGSLQ-IBGZPJMESA-N 379.416 4.244 10 40 GICB CC1(C)CC(=O)c2cc3c(N)c(C(=O)OCc4ccccc4)sc3nc2C1 6263439 RLCZPIUPUBCYLM-UHFFFAOYSA-N 380.469 4.391 10 40 GICB O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccccc2F)CCOCC1 19662217 CEBSGEREFUJGOQ-UHFFFAOYSA-N 396.506 4.181 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c1 5235964 PFEUYUPKBRNQBF-YBEGLDIGSA-N 379.466 4.171 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1cccc(F)c1 14415137 NDCNHANXCCUKME-HKWRFOASSA-N 379.431 4.131 10 40 GICB CCc1ccccc1-n1c(C)cc(/C=C2/C(=N)N3N=C(C)SC3=NC2=O)c1C 80346746 NWGQBMBAJRVSLN-ZJNHSXOMSA-N 391.500 4.296 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)ccc1O 5372020 YWQKRJAUHYMWCO-YVLHZVERSA-N 385.466 4.009 10 40 GICB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 218175358 TZOFTBAJPOCNAW-IAGOWNOFSA-N 382.504 4.431 10 40 GICB CN1CCN(c2ccc(CNC(=O)c3cc4c(ccc5ccccc54)o3)cc2)CC1 218503115 ICEVYNAVIOJKLX-UHFFFAOYSA-N 399.494 4.268 10 40 GICB COc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccccc2)cc1 408842558 OPDBFGRSYMGHIM-HMMYKYKNSA-N 399.406 4.438 10 40 GICB CC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(N(C)C)cc1 4059290 PTWYLKQSAMSGMN-IBGZPJMESA-N 386.293 4.213 10 40 GICB CC1=NN(c2ccc(Cl)c(C(=O)O)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 12412816 PATCTDAPEJQFOC-NVNXTCNLSA-N 379.803 4.326 10 40 GICB CN1CCc2cc([C@H](CNC(=O)Nc3ccccc3)N3CCCCC3)ccc21 35597222 XNLGPJRBZLSNPU-QFIPXVFZSA-N 378.520 4.028 10 40 GICB CCN(CC)c1ccc(CN2CCC(C(=O)NCc3ccc(C)cc3)CC2)cc1 4412077 OGMYTATZTARSSA-UHFFFAOYSA-N 393.575 4.370 10 40 GICB O=C(O)[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 26771509 WELWPQCZZQSATG-BRVCPTFNSA-N 394.477 4.195 10 40 GICB CN(Cc1ccccc1O)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 53916069 WSAXGJZMKSJXJV-UHFFFAOYSA-N 375.472 4.254 10 40 GICB COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 58884206 JOPGHHXTMZBZQJ-BKUYFWCQSA-N 392.499 4.423 10 40 GICB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C(C)=CSC4=NC3=O)c2C)cc1 103604764 WPEDMKPDUDWRFP-KUOUREISSA-N 392.484 4.270 10 40 GICB CC1CCN(c2ccc([C@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)CC1 218159998 IBODOFXSLUNHSA-KRWDZBQOSA-N 381.476 4.251 10 40 GICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1 408799259 KAUZTVGRSLKYPB-GZTJUZNOSA-N 398.846 4.104 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)ccc1OC 409206034 USVQRHVSUAJUQO-GZTJUZNOSA-N 388.514 4.050 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3cccs3)N3CCCCC3)ccc21 9137693 HNQWKMQYGNYAIP-FQEVSTJZSA-N 383.561 4.088 10 40 GICB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(O)c(O)c4)sc3n2)cc1 12249710 LVYPMFUFHCQJHY-UHFFFAOYSA-N 392.436 4.196 10 40 GICB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc(Cl)c2C)C1=O 408817046 VOSBARAQALCGIR-NTCAYCPXSA-N 398.846 4.104 10 40 GICB CCC(=O)Oc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3)N=C2C)cc1OC 5428316 HJUYVYFHUZKMPR-YVLHZVERSA-N 398.846 4.470 10 40 GICB COc1ccc2nc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)ccc2c1 51330843 XUQZGFGBAQHXNO-YVLHZVERSA-N 382.466 4.238 10 40 GICB CC[C@H](C)Oc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O 108042435 BPVRCUFQYOHUFG-NOEYKIMYSA-N 386.451 4.479 10 40 GICB COc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222596102 OQRHWIDRFFMJAW-JHVJFLLYSA-N 394.544 4.280 10 40 GICB CC(C)Oc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 225839337 FKKIDZZEFMMNNN-KRWDZBQOSA-N 399.560 4.358 10 40 GICB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)C1 260466444 SILOPWUEXIQFDZ-IRXDYDNUSA-N 381.476 4.251 10 40 GICB Cc1ccc(C2=NN3C(=N)/C(=C\c4c[nH]c5ccccc45)C(=O)N=C3S2)cc1 18322632 VHFOIDIUHRVESC-WZBMNHFVSA-N 385.452 4.144 10 40 GICB O=C1/C(=C\c2ccc(-c3cccc(F)c3)o2)SC(=S)N1C[C@@H]1CCCO1 32593913 YZBPWSDFCIZKGR-ADFUCPMPSA-N 389.473 4.466 10 40 GICB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)ccc1F 260801776 MNGVITWVTZQGEM-RDJZCZTQSA-N 390.524 4.410 10 40 GICB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(-n4c(C)ccc4C)cc3)CC2=O)cc1 408708810 TUSRPCXFHMHMEY-IBGZPJMESA-N 387.483 4.394 10 40 GICB CCOc1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 881670 XIKAQQIFEVRKJB-UHFFFAOYSA-N 397.500 4.225 10 40 GICB COc1ccc([C@@H]2CC(c3c(O)ccc4ccccc34)=NN2C(C)=O)cc1OC 5838532 AJPOORVEBHHPGL-IBGZPJMESA-N 390.439 4.260 10 40 GICB COc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1O 12418334 WRHBZNKYFURQEE-QPEQYQDCSA-N 381.862 4.049 10 40 GICB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(Br)o3)C(=O)N=C2S1 20266129 OSSTYHDTBQVMRT-CCILBWDTSA-N 395.282 4.097 10 40 GICB CCCCSC1=NC(C)=C(C(=O)OCC)[C@H](c2ccc(N(C)C)cc2)N1 408987140 DQUNPMOWUFWNPQ-SFHVURJKSA-N 375.538 4.123 10 40 GICB Cc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1N1CCCC1 3662708 ITAKUZKATXGXCN-HKWRFOASSA-N 383.561 4.328 10 40 GICB COc1ccc(OCCCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113256 PUINOVNVJFHJAW-UHFFFAOYSA-N 382.504 4.161 10 40 GICB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)n1-c1ccc(F)cc1 45501044 HFESUNMMBIFKTQ-AWEZNQCLSA-N 393.418 4.205 10 40 GICB CC1=CSC2=NC(=O)/C(=C\c3ccc(OC(=O)c4cccs4)cc3)C(=N)N12 102469358 DBLFWTYEYNBRLC-FZVWOUGZSA-N 395.465 4.134 10 40 GICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C(C)(C)C 408967317 UXAFGESBZPTGON-GZTJUZNOSA-N 399.878 4.180 10 40 GICB Cn1cc(/C=C2/C(=O)N=C(S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 1249126 YMGZIZWRIUDMSB-YBEGLDIGSA-N 395.871 4.074 10 40 GICB COc1cccc(N2C(=O)/C(=C\c3cnc4ccccc4n3)SC2=S)c1 13685131 XNCZKVCCNYEBGK-RQZCQDPDSA-N 379.466 4.044 10 40 GICB Cc1cc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c(C)n1-c1ccccn1 65418758 VICKRIDOGLNMRR-IBGZPJMESA-N 379.435 4.272 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4c(C)cccc4C)c3C)C(=O)N=C2S1 95471964 POHTVJGVZWMAPU-OTHHCBNDSA-N 391.500 4.350 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(O)c1 100208052 MKLWJFOFZIWOOC-MOSHPQCFSA-N 377.440 4.276 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N=C2O)cc1 2193274 SOZVCXBJRCLJTQ-XDHOZWIPSA-N 387.439 4.401 10 40 GICB O=C1/C(=C\c2coc3ccccc3c2=O)SC(=S)N1c1ccccc1F 9234503 XKKHIZSOJUDNJZ-CXUHLZMHSA-N 383.425 4.338 10 40 GICB O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2O)N1C[C@H]1CCCO1 12562729 BVFZGKDEIXKGDQ-KZULUSFZSA-N 393.270 4.445 10 40 GICB CCOc1c(/N=N\c2ccccc2OC)c(-c2ccccc2)nn1C(N)=S 104230979 AEAKZXMEWPYCGH-DQRAZIAOSA-N 381.461 4.465 10 40 GICB FC(F)(F)c1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225560080 AOJUCHLSDDTHHR-UHFFFAOYSA-N 379.451 4.445 10 40 GICB CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/C(Cl)=C/c2ccccc2)SC1=S 4745786 XNEFXZSXXIATMM-IBFAPSIOSA-N 381.906 4.120 10 40 GICB Cc1cc(C)n2nc(SCC(=O)c3cc(C)n(-c4ccccc4)c3C)nc2n1 6790473 HWNAIPSQMQEPOH-UHFFFAOYSA-N 391.500 4.124 10 40 GICB COc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)N1c1ccccc1 39132431 ZCEIJVSIZUSJFI-CPNJWEJPSA-N 398.418 4.258 10 40 GICB O=C(CCNc1ncccn1)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48360807 ZFDSNTXAKGYORK-QHCPKHFHSA-N 398.466 4.043 10 40 GICB CC1=CSC2=NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=N)N12 49672613 VLTIFNCIATXTKF-FEPFWZQZSA-N 394.412 4.330 10 40 GICB C/C(NCc1ccco1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112119443 ITNPYPZORPGZAS-HKWRFOASSA-N 375.403 4.233 10 40 GICB CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2ccccc21 4272049 GWDSMXGVMUDVLH-UHFFFAOYSA-N 386.451 4.387 10 40 GICB in-vitro CCc1ccccc1NC(=O)CN1C(=O)/C(=C/c2cccs2)SC1=S 1267959 XKLXTJDLYXACJD-GDNBJRDFSA-N 388.539 4.150 10 40 GICB CCN(CC)c1ccc(N/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2O)cc1 103108588 NDHQPJYMZNGNOZ-QGOAFFKASA-N 396.422 4.091 10 40 GICB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c([N+](=O)[O-])c3)SC2=S)c(C)c1 107897222 FAGPEZMFJCCNEP-SXGWCWSVSA-N 386.454 4.323 10 40 GICB COc1ccc(N2CCN(C(=O)c3csc(-c4ccc(C)cc4)n3)CC2)cc1 12607477 KJLSBNPIYJQILZ-UHFFFAOYSA-N 393.512 4.090 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OC(C)=O 409338109 DDDMHIPGRUKXML-BOPFTXTBSA-N 385.466 4.026 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)C(=O)N=C2S1 33558175 WSOVMIDDFIJMTF-CSCXBHOMSA-N 397.891 4.387 10 40 GICB CCCCOC(=O)CCCN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S 2248248 HBUHGDOJHLNLBB-SSZFMOIBSA-N 377.531 4.320 10 40 GICB CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 3504301 AVWPYFRAYSZNQK-UHFFFAOYSA-N 391.423 4.287 10 40 GICB Cc1cc(C)n(-c2ccc(NCc3ccc(N4CCOCC4)cc3C)cc2)n1 19715736 HKVONKDGAPRRFB-UHFFFAOYSA-N 376.504 4.246 10 40 GICB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1ccc(N(C)C)cc1 36624895 BSKGWQYYDLTLDR-ZDUSSCGKSA-N 381.303 4.485 10 40 GICB Cc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)c(C)n1-c1ccccc1 106752404 IWMVERNSOMJOFT-WQRHYEAKSA-N 398.484 4.082 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccccc3Cl)C2=O)ccc1O 1227382 BPNZJFLVCGIXJB-OQLLNIDSSA-N 377.874 4.460 10 40 GICB COC(=O)C1=C(C)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1cccs1 6348357 OELFBUQSDRLEHW-LCYFTJDESA-N 377.824 4.418 10 40 GICB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccccc1Br 13228303 OCQQZASBNWHMGY-LCYFTJDESA-N 377.288 4.250 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c(OC)c1 35039005 WTIFENGNFZICJM-VCHYOVAHSA-N 399.493 4.312 10 40 GICB COc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc(OC)c1OC 4959411 SYIBZGJJUGLAAE-AVYPCKFXSA-N 382.416 4.447 10 40 GICB Cc1cc(O)n2nc(Nc3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)c2n1 104764512 MOESUAPRRRKENZ-UHFFFAOYSA-N 387.443 4.356 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1[N+](=O)[O-] 409330660 LQIUBFGRQZAGTD-NVNXTCNLSA-N 390.417 4.148 10 40 GICB COC(=O)CCCCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S 1768467 OXUIQLRFLIUHTR-KAMYIIQDSA-N 383.922 4.275 10 40 GICB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@H]21 6954784 QECQYVUFVPTCPJ-NJSLBKSFSA-N 382.416 4.447 10 40 GICB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(N2CCCC2)cc1 225289464 QWZFUEOUUYMYSS-GOSISDBHSA-N 378.516 4.249 10 40 GICB CCc1cc2c(=O)c(Oc3ccccc3[N+](=O)[O-])c(C)oc2c(CN(C)C)c1O 3180668 JOFIRGZNOZARAI-UHFFFAOYSA-N 398.415 4.132 10 40 GICB O=C1c2ccccc2C(=O)c2cc(C(=O)N3CC[C@@H](c4ccccc4)C3)ccc21 12376165 CZDFHWFZSFNDOX-GOSISDBHSA-N 381.431 4.092 10 40 GICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/c1c(C)nn(Cc2ccccc2)c1C 408997538 HAZPKWHMVIHPOO-LPYMAVHISA-N 388.446 4.493 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc(O)c(OC)c3)SC2=S)cc1 5718715 ADMGCTAFNJWVQW-GZTJUZNOSA-N 387.482 4.205 10 40 GICB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 217840605 POHNPQDEWOMBPQ-SFHVURJKSA-N 382.504 4.188 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(=O)/C1=C\c1cccc(O)c1 409002676 WDCADNZZCZNYQC-ZHZULCJRSA-N 393.439 4.058 10 40 GICB CCN(CC)Cc1c(O)ccc2cc(-c3ccc(OC)cc3OC)c(=O)oc12 4084628 PZXNREQGQRJPOD-UHFFFAOYSA-N 383.444 4.025 10 40 GICB biogenic COc1cccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)c1 4150646 NXEVSVAFFKBZPS-COWRMMGYSA-N 392.484 4.270 10 40 GICB O=C(O)[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccccc2Cl)SC1=S 4425553 UREWGGZALVYKNF-LTBFUDJGSA-N 389.885 4.367 10 40 GICB O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1ccc([N+](=O)[O-])cc1O 9579649 YQVPNVUQVQYQLT-CQSZACIVSA-N 399.453 4.415 10 40 GICB CC(C)c1cc(C(=O)NCc2ccc(N(C)C)cc2)c2cnn(C(C)C)c2n1 12564062 KJCUBRIRYNREKT-UHFFFAOYSA-N 379.508 4.132 10 40 GICB Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1-c1ccc(OC(F)(F)F)cc1 12752583 GIMUFKXTLQNQFF-UHFFFAOYSA-N 390.361 4.037 10 40 GICB Cc1c(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c2ccccc2n1C 17246679 HPYRLNMDFZOURS-BOPFTXTBSA-N 393.830 4.011 10 40 GICB Cc1c(CN(C)Cc2ccccc2N2CCOCC2)ccc(N2CCCC2)c1C 19715816 CRBJDNBLSNCMIS-UHFFFAOYSA-N 393.575 4.372 10 40 GICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1cc(Cl)cc(Cl)c1Cl 408740301 JWMJPYCHAUIEIM-GHXNOFRVSA-N 395.629 4.313 10 40 GICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@H]21 6954768 WNDDRILSVNSXPO-QUJCMNEKSA-N 382.416 4.447 10 40 GICB Cc1ccc(C)n1-c1cccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c1 7378586 VYDJCCOBJLYNRB-SFHVURJKSA-N 376.456 4.128 10 40 GICB O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1c1ccc2c(c1)OCO2 9419966 BMAKBGHEGRCYTB-QGMBQPNBSA-N 395.461 4.140 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c(OC)c1 13598692 WRQZNJFBXJYKIP-SXGWCWSVSA-N 375.446 4.249 10 40 GICB COc1ccc(Br)cc1/C=C1/SC(N2CCC(C)CC2)=NC1=O 13892636 NNNNLPHBHKDLDG-XNTDXEJSSA-N 395.322 4.160 10 40 GICB Cc1ccc(NC(=S)NNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1F 18919870 VHKFNOQDELHFJZ-UHFFFAOYSA-N 388.346 4.375 10 40 GICB Cc1ccc(C2=C/C(=C\c3ccc(I)o3)C(=O)O2)cc1 83317633 PRSUPEYWWVLNST-XYOKQWHBSA-N 378.165 4.174 10 40 GICB Oc1ccc(O)c2c1CN(Cc1ccccc1)C(=S)N(Cc1ccccc1)C2 1680962 IPVHDFACTCXUEK-UHFFFAOYSA-N 390.508 4.401 10 40 GICB CCCCNC(=O)CCCN1C(=O)/C(=C/c2ccc(CC)cc2)SC1=S 2431023 SKUJTDAKVMONED-VKAVYKQESA-N 390.574 4.147 10 40 GICB CCOC(=O)C1=C(C)N(CCc2ccccc2)C(=O)/C1=C\c1ccc(C)cc1 14414943 HFZLXTFWOCGYDN-PGMHBOJBSA-N 375.468 4.300 10 40 GICB O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1cccc(F)c1 16712733 HAAPMFBRWYGDNO-BJXWFGTRSA-N 398.484 4.222 10 40 GICB Cc1cc(N2CCCC2)c(C)cc1CN(C)Cc1ccccc1N1CCOCC1 19715742 LJRBNPBMFXXABV-UHFFFAOYSA-N 393.575 4.372 10 40 GICB C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1nc(-c2cccc(F)c2)cs1 96012620 GKTNQRDAKPZZDD-NSHDSACASA-N 387.436 4.113 10 40 GICB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 101141534 WOPVIQNBXTUMSL-OQLLNIDSSA-N 390.226 4.410 10 40 GICB Cc1ccc(N(C)CCNC(=S)Nc2cccc(Br)c2)cc1 225795096 UJBZISGGQGHYCT-UHFFFAOYSA-N 378.339 4.180 10 40 GICB CSC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 5150635 KSSBYUIITDONKU-BDNIKMBYSA-N 395.513 4.034 10 40 GICB CCOc1ccc(NC2=NC(=O)/C(=C\c3nc4ccccc4n3C)S2)cc1 5236010 BYQHEWWTPVUAAO-SFQUDFHCSA-N 378.457 4.054 10 40 GICB CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C)oc12 6937813 XNXOLVHIFXKTSJ-UHFFFAOYSA-N 397.471 4.333 10 40 GICB biogenic COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccc(C)cc2)C1=O 409338132 DPFFOLLRHKWIDL-YBEGLDIGSA-N 386.454 4.318 10 40 GICB CC(C)(C)NC(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 1808802 KDGLXQCLTBZGIQ-PEZBUJJGSA-N 390.574 4.363 10 40 GICB COc1cc(OC)c2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 2488531 HLPFWSVVQWOJLB-AUSJPIAWSA-N 382.416 4.447 10 40 GICB O=C1NC(=S)S/C1=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 2765467 HCCXIFGPEYFABP-NTEUORMPSA-N 375.858 4.048 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccccc1OC 103917559 PPVSDGMYIKZHOT-JWGURIENSA-N 393.487 4.270 10 40 GICB CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2cc(Cl)ccc2C)C1=O 408804311 XIJSEGNGZNHTIG-LFIBNONCSA-N 398.846 4.104 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(OC)cc1 409058278 NLIYJZUHFFHYHL-VBKFSLOCSA-N 383.831 4.226 10 40 GICB CCOc1cccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1 409345269 KPMHMHOSDOUHOD-LFIBNONCSA-N 386.454 4.399 10 40 GICB CCN1C(=O)/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S 5025795 PSIJWWSZTHIOFD-DHDCSXOGSA-N 390.442 4.085 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c(OC)c1 5371825 OPCUXTOLMUZXLE-SXGWCWSVSA-N 375.446 4.249 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)N=C2S1 5516563 SCFVCBOZLMQCPY-RPKGUNMRSA-N 377.473 4.042 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 222793072 OJCIRLSYHPQXBF-RTWAWAEBSA-N 391.544 4.185 10 40 GICB Cc1ccc(C2=N/C(=C/c3ccccc3[N+](=O)[O-])C(=O)N2c2ccc(O)cc2)cc1 408848681 XSEDFVUGZAAROT-XSFVSMFZSA-N 399.406 4.443 10 40 GICB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)C1=O 409098922 RJKJTUGTBULLLE-VBEHJTROSA-N 390.505 4.139 10 40 GICB Cc1cc(C=C2C(=O)OC3(CCCCC3)OC2=O)c(C)n1-c1ccc(F)cc1 857522 IICOUPVMVOIBNQ-UHFFFAOYSA-N 383.419 4.377 10 40 GICB CCC[C@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 4043605 JKGCBZXHNUIVLO-YWZLYKJASA-N 387.524 4.140 10 40 GICB CCCCNc1nc(SCC(=O)c2ccc(O)c(O)c2)nc2ccccc12 2941578 NVRWIEATTGREGW-UHFFFAOYSA-N 383.473 4.228 10 40 GICB CCc1ccc(N2C(=O)/C(=C3/C(=O)N(C)c4ccccc43)SC2=S)cc1 5552063 DPUUYLUGOBALFW-MSUUIHNZSA-N 380.494 4.001 10 40 GICB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccn1 12545984 BGMHVQWCWLUFAS-HNNXBMFYSA-N 397.862 4.327 10 40 GICB COC(=O)c1ccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)cc1 33322336 OLDNJBZQZBHBMS-GZTJUZNOSA-N 383.494 4.496 10 40 GICB COc1cccc(CN(Cc2ccncc2)C2CC(C)(C)NC(C)(C)C2)c1O 36740554 YLCLGHMDNZAUGM-UHFFFAOYSA-N 383.536 4.107 10 40 GICB CC(=O)Nc1ccc(N/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1 618254524 DKKLMUDQCNUXSV-BOPFTXTBSA-N 383.498 4.272 10 40 GICB CCc1ccccc1OCCOc1cccc(/C=C2\SC(=S)NC2=O)c1 4680590 ZOEVQMMLMUOJBR-AQTBWJFISA-N 385.510 4.196 10 40 GICB CC1=NN2C(=NC(O)=C[C@H]2c2ccccc2)N=C1/C=C/c1ccc(N(C)C)cc1 5735242 FORGHULRCDUSAG-KVDXNUTJSA-N 385.471 4.409 10 40 GICB O=C1N=C(Nc2ccc(Cl)cc2Cl)S/C1=C\c1ccc(O)c(O)c1 5756705 XIMDWVKACHMLIE-NSIKDUERSA-N 381.240 4.487 10 40 GICB CCOc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2cccs2)cc1 9094813 NZUFSLJJWFWANF-UHFFFAOYSA-N 398.484 4.271 10 40 GICB Cc1cc(C(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)n1-c1ccccc1F 32906414 FEGYRLNNQVOBOS-UHFFFAOYSA-N 379.435 4.187 10 40 GICB COc1cc(N2CCCC2)ccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222593768 JASAKRMAVDZIMO-RVHYNSKXSA-N 394.544 4.280 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(O)cc3F)cc2Cl)C1 1626169033 LTHOKTQVRPXUFS-ZDUSSCGKSA-N 376.859 4.351 10 40 GICB Cc1ccc(/C=C2\SC(=S)N([C@@H](CC(=O)O)c3ccccc3)C2=O)cc1 5214079 ZUPQHVGHXZCCRM-FDIDWWNZSA-N 383.494 4.412 10 40 GICB CCc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 9694737 SCDSWQYDFDKBNI-UHFFFAOYSA-N 376.456 4.373 10 40 GICB Cc1sc2c(c1C)C(=O)N[C@@H](c1cc(Br)cc(Cl)c1O)N2 1106642 ZSJRZZXTEQTODE-GFCCVEGCSA-N 387.686 4.341 10 40 GICB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 8845965 AGSKHBHRLGFPGC-UHFFFAOYSA-N 379.416 4.096 10 40 GICB CCOc1cccc([C@@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)c1 89269912 UPVSDLPJIJRRTR-IBGZPJMESA-N 376.412 4.375 10 40 GICB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)ccc1F 225608388 MNGVITWVTZQGEM-WBVHZDCISA-N 390.524 4.410 10 40 GICB C[C@@H]1C[C@@H](C)CN(C2CCN(Cc3cc(Br)ccc3O)CC2)C1 2734633 YDICPMBHHWNYNB-HUUCEWRRSA-N 381.358 4.097 10 40 GICB COc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2c2ccccc2)cc1 4359609 JACQCXFZZZQGAS-QNGOZBTKSA-N 399.406 4.438 10 40 GICB COc1ccc(N2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)cc1 6787770 PDBUMQGRSRHSQF-UHFFFAOYSA-N 388.467 4.450 10 40 GICB CN(C)c1ccc(C2(CC(=O)Nc3ccccc3)C(=O)c3ccccc3C2=O)cc1 2281406 OTXXGBVZJPVLLI-UHFFFAOYSA-N 398.462 4.098 10 40 GICB Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(OC(F)F)cc1 3372993 ILKHGRIDFBOTDY-MEDUHNTESA-N 377.387 4.077 10 40 GICB COc1ccc2nc3cc(Cl)ccc3c(NCCCNCC[C@@H](C)O)c2c1 6491718 RYAXTIKEXIPLPG-CQSZACIVSA-N 387.911 4.213 10 40 GICB CCN1C(=O)[C@@H](Cc2ccccc2OCc2cccc(F)c2)SC1=S 6953010 HZCHKVJDBXDPMG-QGZVFWFLSA-N 375.490 4.196 10 40 GICB Cc1ccc2c(c1)/C(=C\c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2 83327242 UEGKOHQYHTWTJO-XSFVSMFZSA-N 393.446 4.246 10 40 GICB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260466121 FHOMWHJYHFWFIE-ROUUACIJSA-N 382.504 4.188 10 40 GICB CCOC(=O)c1c(NCc2cc(Br)ccc2O)sc2c1CCC2 708899 XYTNHUSCEBQUEU-UHFFFAOYSA-N 396.306 4.494 10 40 GICB COc1ccc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)cc1 4610991 OQQYLFCZBHXQRH-YRNVUSSQSA-N 382.288 4.197 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409343471 HFNNHHQHCKTIBX-DHDCSXOGSA-N 390.417 4.148 10 40 GICB Cc1ccc(-c2ccc(/C=C3/SC(=S)N(CC(=O)O)C3=O)o2)cc1Cl 3035917 YRRBDOXBPWQOLM-VGOFMYFVSA-N 393.873 4.194 10 40 GICB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21 4000035 KUKMKNWWKPVPMV-IVYUTVGYSA-N 389.543 4.342 10 40 GICB biogenic O=C(c1cccs1)N1N=C(c2cccs2)C[C@@H]1c1cc([N+](=O)[O-])ccc1O 4248209 UAXQIWPVIUPJAN-CQSZACIVSA-N 399.453 4.415 10 40 GICB CCCCC(=O)N[C@H](c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O 4903377 IKZCVITWOLNCTJ-LJQANCHMSA-N 379.416 4.244 10 40 GICB Cc1noc(C)c1COc1ccccc1C(=O)N(C)Cc1ccc(N(C)C)cc1 28005337 SDDLGBKSTJNQAE-UHFFFAOYSA-N 393.487 4.209 10 40 GICB N=C1/C(=C/c2ccc(Cl)cc2)C(=O)N=C2SC(Cc3cccs3)=NN12 41108427 ZHYJBMRHTFQFQL-SBPWCSLQSA-N 386.889 4.263 10 40 GICB O=C(CN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2)C1=O)c1ccccc1 4600063 YJZHOJJYIUEDNF-ZHZULCJRSA-N 392.480 4.206 10 40 GICB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C)c(C)n1-c1cccc(F)c1 6129779 UCNKBYGZQOKHGF-UHFFFAOYSA-N 384.480 4.214 10 40 GICB COc1ccc(Oc2coc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1 20358382 QBMLEMYKEVZDGO-UHFFFAOYSA-N 381.428 4.285 10 40 GICB biogenic COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccccc2Cl)C1=O 33643661 LWWPODNHHVQTEK-XNTDXEJSSA-N 389.885 4.390 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c1 5551930 VVLKIMPUZHRCRK-SXGWCWSVSA-N 384.438 4.203 10 40 GICB CN1c2ccccc2S[C@H]2C=CC(CCN3C(=O)c4ccccc4C3=O)=C[C@H]21 101242809 CLJYTWXMEAQEJM-CTNGQTDRSA-N 388.492 4.148 10 40 GICB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccn2)c1C 222864013 POVMMFLIVMYNAZ-NHCUHLMSSA-N 391.544 4.267 10 40 GICB CN(C)c1ccc(/C=C/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1 2292135 SVBAOQYJKKLVCS-GUTMTIDZSA-N 387.527 4.336 10 40 GICB Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1C1CCCC1 4723739 QNFMFAGSZRVRSL-UYRXBGFRSA-N 393.512 4.051 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1C 5746947 QJTRXEYOFIYJDQ-GZTJUZNOSA-N 382.510 4.143 10 40 GICB Oc1c(CN2CCN(c3ncccn3)CC2)cc(Cl)cc1C1CCCCC1 48289561 BTSBKZVUWATIKZ-UHFFFAOYSA-N 386.927 4.206 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)cc1 54361156 MZZYLZUENQWBGT-BOPFTXTBSA-N 379.466 4.044 10 40 GICB Cc1cc(C(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c(C)n1-c1ccccc1 102056112 BDKRZJMYYAZBSR-QZTJIDSGSA-N 393.483 4.215 10 40 GICB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccco2)c(-c2ccco2)n1 1346170 UGKWOQOOXLCXIM-KBPBESRZSA-N 398.488 4.273 10 40 GICB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)Nc1ccc(/N=N/c2ccccc2)cc1 5019956 PKHXALRETZTVSR-QURGRASLSA-N 394.343 4.399 10 40 GICB COc1ccc(N2CCN(C(=O)CSc3ccc4ccccc4c3)CC2)cc1 33675551 SWIKMWBJIFMFIZ-UHFFFAOYSA-N 392.524 4.289 10 40 GICB CCN1C(=O)N=C(O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C1=O 5947739 AUBKTCKCAQSGSE-WOJGMQOQSA-N 391.402 4.151 10 40 GICB CCCn1ccnc1SCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 22715308 JODCEWZUYWMHKB-UHFFFAOYSA-N 397.500 4.404 10 40 GICB Cc1nc2ccccc2n(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)c1=O 32888203 HFXOVHBBPKVJKJ-UHFFFAOYSA-N 389.430 4.134 10 40 GICB CCN(CC)Cc1c(O)ccc2c(C)c(-c3ccc(OC)cc3OC)c(=O)oc12 6623812 DOZFBNUAXNITAQ-UHFFFAOYSA-N 397.471 4.333 10 40 GICB biogenic CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(C(=O)O)c1 16160719 WOPVIQNBXTUMSL-DHDCSXOGSA-N 390.226 4.410 10 40 GICB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 103917889 OEAHMLCJNGNQET-QNGOZBTKSA-N 381.451 4.401 10 40 GICB CCOc1ccc([C@H]2CC(c3ccccc3O)=NN2C(=O)c2ccco2)cc1 4942492 IIUKCIZGGKGRKG-LJQANCHMSA-N 376.412 4.375 10 40 GICB CCCCNC(=O)CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370932 TXLIDZCFMFGHTL-SFXQBQATSA-N 388.558 4.141 10 40 GICB CN1CCCc2cc([C@H](CNC(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 9137594 RVDHAPZEOFFPAG-QHCPKHFHSA-N 395.522 4.165 10 40 GICB CCCCOc1ccc(N2CCn3c(nc4cc(NC(C)=O)ccc43)C2)cc1 13733323 XJHPTFWIWDKIJG-UHFFFAOYSA-N 378.476 4.194 10 40 GICB COc1ccc(N(CC(=O)N2CCc3ccccc3C2)Cc2ccccc2)cc1 22983694 BPYDVNNXTNGTOA-UHFFFAOYSA-N 386.495 4.287 10 40 GICB Cc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccccc1Cl 33660103 OKXRQSIYDYOFPS-AQTBWJFISA-N 391.858 4.209 10 40 GICB CCc1ccccc1NC1=NC(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S1 35043425 TVJTVFZDVHLQDR-LDADJPATSA-N 398.484 4.357 10 40 GICB N=C(NCc1ccccc1)[C@H](/N=N\c1ccccc1)C(=O)NCc1ccccc1 104338102 FAZOIBGUMUTFQO-ZUSALWDXSA-N 385.471 4.222 10 40 GICB CCc1ccc(/C=C2\C(=O)N(c3ccc([N+](=O)[O-])cc3)C(C)=C2C(=O)OC)cc1 108086593 QGQVMHZRNOCEJO-UYRXBGFRSA-N 392.411 4.034 10 40 GICB Cc1ccccc1NC(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 2285625 WORWHWJWHQMVGU-PTNGSMBKSA-N 388.539 4.287 10 40 GICB CCCCOC(=O)CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 5370886 FOTNHAHOISSCHN-CRWKAAGYSA-N 375.515 4.177 10 40 GICB Cc1ccc(-c2ccc(C=C3C(=O)OC4(CCCCC4)OC3=O)o2)c([N+](=O)[O-])c1 58856225 XJOLASSSKNYXOS-UHFFFAOYSA-N 397.383 4.307 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)c1 967147 USMCBFNLEAPJRN-SXGWCWSVSA-N 380.450 4.272 10 40 GICB CCOC(=O)c1[nH]c2ccccc2c1/N=N/N1CCN(c2ccccc2)CC1 2271649 ZJLYHEXYQQHPLC-WCWDXBQESA-N 377.448 4.166 10 40 GICB COc1cccc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)c1O 72337380 AFIMKDMXCGUCLY-DOTOQJQBSA-N 392.503 4.003 10 40 GICB O=C1S/C(=C/c2ccc(N3CCOCC3)cc2)C(=O)N1CC1CCCCC1 409142471 LNSUFUOOLDRDOH-XMHGGMMESA-N 386.517 4.140 10 40 GICB Cc1ccc(/N=N\c2ccc(NC(=O)[C@H]3[C@H](C(=O)O)[C@H]4C=C[C@@]3(C)O4)cc2)cc1 409382113 KZWLHNQIKOANQH-IEWYCEHGSA-N 391.427 4.393 10 40 GICB CCOc1ccccc1N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 2325437 OHSWSILSYXBKON-WJDWOHSUSA-N 381.482 4.367 10 40 GICB CN(Cc1ccccc1O)C(=O)c1ccc(-c2ccc3c(c2)OCCO3)s1 53914710 MOSSIFGTBKCOGJ-UHFFFAOYSA-N 381.453 4.164 10 40 GICB COc1cccc(N2C(=O)/C(=C/c3cc(OC)ccc3OC)SC2=S)c1 1834463 INZAMVGPHVTDJD-YVLHZVERSA-N 387.482 4.118 10 40 GICB CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccc(-c3ccc(C)cc3)o2)SC1=S 5487145 PMYJYKNSGDLDRZ-KNGSKEOJSA-N 387.482 4.319 10 40 GICB CN(C)c1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 9188349 SSLUTXFKJLEQEA-JXAWBTAJSA-N 384.526 4.033 10 40 GICB O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccc(N2CCCC2)cc1 10113671 ULXPSWQJKFFCLC-UHFFFAOYSA-N 399.343 4.213 10 40 GICB CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1 10191661 WLCMISORQYHJQF-UHFFFAOYSA-N 390.439 4.092 10 40 GICB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2-n2c(C)ccc2C)cc1 72216831 OWGIWSMPYKPLCP-OAQYLSRUSA-N 395.528 4.323 10 40 GICB O=[N+]([O-])c1cc(C2Nc3cccc4cccc(c34)N2)ccc1N1CCOCC1 96191660 FRDJVXUAJBQEBD-UHFFFAOYSA-N 376.416 4.121 10 40 GICB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)ccc2O)N3)C1 17083554 HSCXIOBLWYERFL-ANRSDYALSA-N 393.306 4.195 10 40 GICB CCOc1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1OCC 20456357 ROIRDICAPLIGLP-UHFFFAOYSA-N 396.531 4.333 10 40 GICB COc1cccc2c1O[C@@H](c1ccncc1)N1N=C(c3cc(C)ccc3O)C[C@@H]21 169681517 FFWLQISPOPZIPC-CVDCTZTESA-N 387.439 4.347 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1c(O)ccc2ccccc12 408893304 LYZNXBFFIQQYFW-ZHZULCJRSA-N 385.419 4.423 10 40 GICB COc1ccccc1[C@@H](NC(=O)c1ccccc1)c1ccc2cccnc2c1O 1209707 HZDPJEOGRSUVDG-JOCHJYFZSA-N 384.435 4.468 10 40 GICB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 6371363 GUQDNDPOTLZIDP-YVLHZVERSA-N 384.457 4.237 10 40 GICB COc1ccc(CN2C(=O)[C@H](Cc3ccc(Cl)cc3)SC2=S)cc1 8117190 SGUIGVDENHRSJP-INIZCTEOSA-N 377.918 4.320 10 40 GICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cncn1-c1ccc(F)cc1 10962647 FSXVSCGDFCXOPF-UHFFFAOYSA-N 392.478 4.274 10 40 GICB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)c(C)c1 223379944 DBLOISNGHZQWPD-UHFFFAOYSA-N 395.480 4.344 10 40 GICB Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1 5005479 AFFGHMHKALWNGZ-GHRIWEEISA-N 382.510 4.225 10 40 GICB Cc1ccc(NC(=O)c2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)c(C)c1 5374768 IIUMFPQSPLETQS-GZTJUZNOSA-N 382.510 4.387 10 40 GICB CC[C@@H](C)N/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F 18084637 LMDXQDDBBRAMFE-YPJZTRPGSA-N 382.411 4.223 10 40 GICB O=C1/C(=C/c2cc3ccccc3oc2=O)SC(=S)N1c1cccc(F)c1 409334229 VICKGEOQAKCRMP-SXGWCWSVSA-N 383.425 4.338 10 40 GICB CCOc1ccccc1/C=C1\SC(=S)N(c2ccc([N+](=O)[O-])cc2)C1=O 409343862 DQOLSNHWGOCSOB-WJDWOHSUSA-N 386.454 4.399 10 40 GICB O=C(O)CCCCCN1C(=O)/C(=C\c2c(F)cccc2Cl)SC1=S 2829619 KYQJYUAQRFMMMG-UKTHLTGXSA-N 387.885 4.325 10 40 GICB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 5371542 ZTHFODWBNFASJI-HEUOVEHFSA-N 388.514 4.023 10 40 GICB COc1ccccc1N1C(=O)/C(=C/C2=Cc3ccccc3OC2)SC1=S 51330799 MIMFCBOTBKETQS-WQRHYEAKSA-N 381.478 4.420 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1 5187038 AAOBZIQQMWSLJQ-ALGNWURXSA-N 377.473 4.123 10 40 GICB CCOc1cc(/C=C2/C(=O)N(C(=O)c3ccccc3)N=C2C)cc(Cl)c1OC 408936430 GJDASXHCJWIYAZ-MHWRWJLKSA-N 398.846 4.189 10 40 GICB O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(Br)c1 1246864 GJVLFZKLXCDBEU-QPEQYQDCSA-N 377.288 4.250 10 40 GICB O=C1Nc2ccccc2/C1=C1\SC(=S)N(Cc2ccccc2Cl)C1=O 2393903 UWWBLPKBEMYOIG-CCEZHUSRSA-N 386.885 4.064 10 40 GICB Cn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(C(C)(C)C)cc1 2444159 XKKVWKQTGJWEMD-UHFFFAOYSA-N 397.500 4.166 10 40 GICB CCCn1c(O)nnc1S[C@@H](C)C(=O)c1cc(C)n(-c2ccccc2)c1C 5971777 NMQSOKXXPISKHZ-HNNXBMFYSA-N 384.505 4.165 10 40 GICB O=C(NN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)c1ccc(Cl)cc1 13596513 LMJRPSSFKJCKER-ZROIWOOFSA-N 392.864 4.025 10 40 GICB COc1ccc(-n2c(C)cc(/C=C3/C(=N)N4C=C(C)SC4=NC3=O)c2C)cc1 20037313 RDIDWECYMZYKJS-KUOUREISSA-N 392.484 4.270 10 40 GICB CCN1C(=O)/C(=C/c2cc(Cl)c(OC)c(Br)c2)SC1=S 33648270 UPJPYZAHZRAUFF-POHAHGRESA-N 392.727 4.332 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2cc(C)ccn2)c1C 222793192 OJCIRLSYHPQXBF-NHCUHLMSSA-N 391.544 4.185 10 40 GICB CCCC(=O)c1cc(O)c(O)c(CN(C)Cc2cc(Cl)cc(C)c2O)c1O 1569520 XOFIUZJSOAYWSF-UHFFFAOYSA-N 393.867 4.086 10 40 GICB O=C(C[C@@H]1SC(=O)N(c2ccccc2)C1=O)Nc1cccc2ccccc12 4570555 DLFPXSBQCNEPMS-SFHVURJKSA-N 376.437 4.437 10 40 GICB CC(=O)c1cccc(NC(=O)COC(=O)c2cccc(-n3c(C)ccc3C)c2)c1 7378551 GWKLPPFGGPQELQ-UHFFFAOYSA-N 390.439 4.092 10 40 GICB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1ccc(O)c([N+](=O)[O-])c1 16160896 FUHBWPOHMVRQTC-AUWJEWJLSA-N 391.305 4.125 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OCC(C)C)c3ccccc23)C(O)=NC1=S 59182340 IQYSFZQUXGKPRK-GZTJUZNOSA-N 382.485 4.362 10 40 GICB CCN(CC)c1ccc(/C=C2/N=C(c3ccc(Br)cc3)NC2=O)cc1 6246421 XEFVANLRIXXVHW-QGOAFFKASA-N 398.304 4.213 10 40 GICB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(N4CCCC4)cc3)cc2)C1 20462562 MZQPOWJBUUEIPL-FQEVSTJZSA-N 391.559 4.449 10 40 GICB O=C1N=C(N2CCCCC2)S/C1=C/c1c[nH]c2ccc(Br)cc12 36624778 LDLWTAHQECXGMH-OVCLIPMQSA-N 390.306 4.387 10 40 GICB CN(C)c1ccc(C2=CCN(C(=O)CCCOc3ccccc3Cl)C2)cc1 95456519 SVTCYZJVQWCZOB-UHFFFAOYSA-N 384.907 4.491 10 40 GICB C[C@H]1CCCN(c2ccc(CNC(=O)C3(c4ccccc4)CCOCC3)cc2)C1 225752070 NIDSYBYZOBCXTH-FQEVSTJZSA-N 392.543 4.288 10 40 GICB Cc1ccn2c3c(c(C(=O)OCc4ccccc4)c2c1)C(=O)c1ccccc1C3=O 2694686 XXNQIJYDOWZOAR-UHFFFAOYSA-N 395.414 4.380 10 40 GICB biogenic O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(CN2CCCCC2)cc1 13670350 SZMARPWJDNOETG-UHFFFAOYSA-N 377.532 4.203 10 40 GICB COc1ccc(N2CCN(Cc3cc(=O)oc4c(C)c(C)cc(C)c34)CC2)cc1 54105900 FVENCWCMNMOJNT-UHFFFAOYSA-N 392.499 4.049 10 40 GICB biogenic O=C(NCc1c(O)ccc2c1CCCC2)c1occc1COc1ccccc1 78947254 CNTFHVMJRXGSNJ-UHFFFAOYSA-N 377.440 4.373 10 40 GICB CSc1cc2c(cc1NC(=O)c1cc(C)n(-c3ccccn3)c1C)OCCO2 101526562 SHNVPJFKCCBQRV-UHFFFAOYSA-N 395.484 4.235 10 40 GICB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O 3044101 QDGKBZZBDCSTND-LICLKQGHSA-N 387.482 4.118 10 40 GICB CCCCCCOc1ccc(C=C2C(=O)N(CC)C(=S)N(CC)C2=O)cc1 16638303 IRZXZWIKXVNOOX-UHFFFAOYSA-N 388.533 4.025 10 40 GICB CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)SC1=S 33909236 BSSVEIZKSXCXDI-PEZBUJJGSA-N 380.560 4.457 10 40 GICB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)cc1 225837881 FVDPLTBBYSISII-CQSZACIVSA-N 375.925 4.224 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)SC1=S 1209358 UDUYEDKGNFBLKO-PDGQHHTCSA-N 385.510 4.495 10 40 GICB CCOC(=O)c1c(-c2ccccc2)oc2cc(CN(C)C)c(O)c(CN(C)C)c12 4322637 ITOIFNLYKDMKOA-UHFFFAOYSA-N 396.487 4.105 10 40 GICB CO[C@H](C(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1O)c1ccccc1 9419290 VQSQHUGMJKHABK-GGAORHGYSA-N 386.451 4.458 10 40 GICB O=C1c2c(cccc2[N+](=O)[O-])C(=O)[C@@H]2Oc3ccc4oc5ccccc5c4c3[C@H]12 18157520 OVBSWUMXKZSCFO-DENIHFKCSA-N 385.331 4.418 10 40 GICB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(N2CCOCC2)cc1 54284418 UDGLDFGSKWYRNU-UHFFFAOYSA-N 393.314 4.079 10 40 GICB CCOc1cccc2c1O[C@@H](c1ccccn1)N1N=C(c3ccccc3O)C[C@@H]21 227486629 PQCBAEKHVSITLM-CVDCTZTESA-N 387.439 4.428 10 40 GICB COc1ccc(-c2nonc2/N=N/c2nonc2-c2ccc(OC)cc2)cc1 4452336 FMSWGEVOJGRRAK-FMQUCBEESA-N 378.348 4.219 10 40 GICB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 22517516 JABBFGLDUGPQIS-KRWDZBQOSA-N 384.545 4.483 10 40 GICB CN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)SC1=S 409333763 VPYKBQONSSJGTF-NTUHNPAUSA-N 379.846 4.129 10 40 GICB CN(C)[C@@H](Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2)c1ccco1 604405226 NYEFLFLFSZNBRR-IBGZPJMESA-N 384.435 4.109 10 40 GICB biogenic COc1ccc([C@H](NC(=O)C(C)C)c2c(O)ccc3ccccc23)cc1OC 855803 JWVIJOBQVJZQBC-QFIPXVFZSA-N 379.456 4.424 10 40 GICB CCN1C(=O)N=C(O)/C(=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)C1=O 5947680 HQUPIUWUXYBMBI-CXUHLZMHSA-N 385.851 4.378 10 40 GICB O=C(O)CCCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)SC1=S 6210100 DIGNDECBCKLDAO-JXMROGBWSA-N 376.286 4.059 10 40 GICB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1-c1ccccc1 6831162 GJVSHUAPPLQUJA-UHFFFAOYSA-N 380.517 4.387 10 40 GICB COc1ccc(N(Cc2ccccc2)Cc2cc(=O)n3cccc(C)c3n2)cc1 22983815 QFSPPEYHWFICRK-UHFFFAOYSA-N 385.467 4.218 10 40 GICB CC1=NN2C(=N)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1 41108127 PUUBJBUYUXGOBF-LVKBRKGQSA-N 377.473 4.042 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)Cn1c(=S)sc2ccccc21 57761449 BFPAAZUZKTZZPU-UHFFFAOYSA-N 385.558 4.358 10 40 GICB O=C(CSc1nc2cc(F)c(F)cc2[nH]1)Nc1ccc(Br)cc1 71836002 SURQFSKVNYBLKM-UHFFFAOYSA-N 398.232 4.334 10 40 GICB COc1ccc(N(C)CCNC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 225798408 KMPHFKJSLANXHV-UHFFFAOYSA-N 383.439 4.137 10 40 GICB CCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C1=O 409084010 WQFLKVBDAZJVBZ-ZSOIEALJSA-N 377.805 4.354 10 40 GICB Cn1cc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 409333442 TVPAEFUUOZQVRO-MFOYZWKCSA-N 395.465 4.492 10 40 GICB CCCCCOC(=O)CCN1C(=O)/C(=C/c2ccccc2F)SC1=S 5370692 YVKFYMFGRMRKPZ-QINSGFPZSA-N 381.494 4.150 10 40 GICB CCOc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)c1 28288279 NZZMRRWISWKWHB-UHFFFAOYSA-N 375.472 4.393 10 40 GICB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cn1 225657669 BYALAKDHYNRRQN-INIZCTEOSA-N 384.549 4.374 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc4[nH]c5ccccc5c4c3)C2=O)cc1 408895888 GADIUGAETVTUHT-CPNJWEJPSA-N 395.418 4.296 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2C)c1C 409018811 ZIXAWZFCWIGQFM-UNOMPAQXSA-N 378.472 4.013 10 40 GICB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1 1217363 AWAMZZVDPOTHNZ-QINSGFPZSA-N 388.539 4.368 10 40 GICB COc1ccc(-c2nc(C)c3c(O)c(C(=O)N4CCCCC4)sc3n2)cc1 13719023 NAFRXDSCNDEYKX-UHFFFAOYSA-N 383.473 4.007 10 40 GICB Cc1ccc(COc2cccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)c2)cc1 13940434 PHRBUEQBFUBQNR-JCMHNJIXSA-N 384.435 4.035 10 40 GICB COC(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)/C1=C\c1ccccc1Cl 59435779 RVMIWWUBQJBYOT-PDGQHHTCSA-N 397.858 4.221 10 40 GICB O=C1/C(=C/c2cccs2)C(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1 100478098 HQQFAHJRYQPCSO-QGOAFFKASA-N 375.409 4.491 10 40 GICB COCCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3F)c2C)C1=O 409232370 OHVLSDLJTXAKGP-LDADJPATSA-N 388.464 4.306 10 40 GICB CCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3cc(C)ccc3O)=NN12 10214026 JLBMECBMMLBPNN-FQEVSTJZSA-N 377.488 4.056 10 40 GICB COc1ccc(-c2coc3c(CN4CCC(C)CC4)c(O)ccc3c2=O)cc1 20412097 SBXQZJQPCFPOEO-UHFFFAOYSA-N 379.456 4.406 10 40 GICB biogenic CN(C)[C@@H](C(=O)NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1 35316634 QJAFHPOCFDXTJT-OAQYLSRUSA-N 385.939 4.249 10 40 GICB CC1=CC(C)(C)N(C)c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)cc21 208444084 QWYJQXPWPSMNIL-MOSHPQCFSA-N 387.483 4.411 10 40 GICB COc1cc(N2N=C(C)/C(=C/Nc3ccc4nc(C)[nH]c4c3)C2=O)ccc1Cl 408536469 WOFUUSZOBCUXMQ-GDNBJRDFSA-N 395.850 4.252 10 40 GICB CCOC(=O)/C=C(\C)N1N=C(c2ccccc2)C[C@@H]1c1ccc(N(C)C)cc1 4797298 IGNSYZFRHDMYKQ-XEPMYJLFSA-N 377.488 4.371 10 40 GICB O=C1c2ccccc2N[C@H](c2ccc(N3CCOCC3)cc2)N1Cc1ccccc1 7884140 CBFCZBDQAWCPNH-DEOSSOPVSA-N 399.494 4.290 10 40 GICB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 35040975 ZANWWRMLUZSJND-MHWRWJLKSA-N 384.438 4.203 10 40 GICB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2)c1 95392559 VUTBFPSMOMYISB-CQSZACIVSA-N 399.844 4.114 10 40 GICB CC(C)Oc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCOCC3)cc2)cc1 225839297 OBFZIGNAXGLRQX-KRWDZBQOSA-N 399.560 4.358 10 40 GICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C/C(C)=C/c2ccccc2)SC1=S 5024766 SQXQQDPJICIETD-CKLKNJCFSA-N 393.555 4.040 10 40 GICB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)SC1=S 6026457 ZXQBFZHOTRVJJA-SXGWCWSVSA-N 387.486 4.223 10 40 GICB COC(=O)CS[C@H](C)C(=O)c1cc(C)n(-c2ccc(OC(F)F)cc2)c1C 21141316 XULMYMHBPQPFAK-CYBMUJFWSA-N 397.443 4.173 10 40 GICB C[C@H](c1ccccc1)n1cnn(CN(C)Cc2ccc(N(C)C)cc2)c1=S 54440552 OOUWDPRGQHYCQM-QGZVFWFLSA-N 381.549 4.179 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 103917899 YFPNDQSHRGGHOU-ZHZULCJRSA-N 396.422 4.300 10 40 GICB Cc1cccc(C)c1N/C=C1\C(=O)NC(=O)N(c2cccc3ccccc23)C1=O 408528431 HQAUUIPUCMWXLR-QGOAFFKASA-N 385.423 4.035 10 40 GICB COc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1OC(C)=O 409328523 WYLGWOKMCFYGKH-WOJGMQOQSA-N 399.493 4.335 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C(=O)O)c3)C2=O)c1 35648420 STFWPCPQWLUDJF-CXUHLZMHSA-N 385.466 4.108 10 40 GICB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\C=C\c3ccco3)C2=O)c1 977332 YJWOJYAFDKAOQV-ASWACWRWSA-N 396.399 4.140 10 40 GICB CCN(Cc1ccccc1)c1ccc(CNCc2nnc(C(C)C)n2C)cc1 96003719 ZPQUMDQQWOAKSL-UHFFFAOYSA-N 377.536 4.255 10 40 GICB CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2ccccc21 4516964 RVTGQWNIFIKVSL-RCCKNPSSSA-N 399.494 4.171 10 40 GICB Cc1cc(C)c2c(N)c(C(=O)O[C@@H](C)C(=O)Nc3c(C)cccc3C)sc2n1 12551507 CKLFOUNTUUOMNC-AWEZNQCLSA-N 397.500 4.296 10 40 GICB Cc1cc(C(=O)CN2C[C@@H](C)O[C@H](C)C2)c(C)n1-c1ccc(F)c(Cl)c1 20507192 ALHGGSZZLWYIKB-ZIAGYGMSSA-N 378.875 4.179 10 40 GICB CC[C@@H](C)N1C(=O)/C(=C/c2ccc(N3CCCCCC3)cc2)C(O)=NC1=S 2426548 YJOJILZALHVPAN-LWFDYCOSSA-N 385.533 4.333 10 40 GICB N=C1/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N=C2SC(c3cccnc3)=NN12 5046736 QWXIZYIYLKVSSS-HLLBZCHMSA-N 399.435 4.009 10 40 GICB CC(=C\c1ccccc1)/C=C1/SC(=S)N(NC(=O)c2ccccc2C)C1=O 27229673 VCNPRSNVRDYLPB-FBRLRESOSA-N 394.521 4.488 10 40 GICB O=C1/C(=C/c2ccc(N3CCOCC3)cc2)SC(=S)N1C1CCCCC1 47080697 RBFOLTZUAWRTCQ-JXAWBTAJSA-N 388.558 4.057 10 40 GICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1 408739624 DIPQJLUHXZXXTO-SFQUDFHCSA-N 392.798 4.266 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(C(F)(F)F)cc1 408899732 QCJPARMCGDYAKX-NTEUORMPSA-N 394.736 4.025 10 40 GICB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c(OC)c1 408970606 JDBIIYJEEYRUNY-GDNBJRDFSA-N 376.334 4.052 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)SC2=S)cc1Cl 4690725 GGODDMVQKCLQKO-NVNXTCNLSA-N 377.874 4.460 10 40 GICB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1 8743493 OMOBVRAYKIDWDA-YUSFRKCESA-N 380.400 4.118 10 40 GICB CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cc1c(Cl)cccc1Cl 21963244 LMBSTLULNXCYIA-UHFFFAOYSA-N 393.314 4.031 10 40 GICB CN(C)c1ccc(CN2CCOC[C@H]2c2nc(-c3cccc(Cl)c3)c[nH]2)cc1 96112669 DKGXFGGXDSOMOZ-NRFANRHFSA-N 396.922 4.370 10 40 GICB biogenic,in-vitro Cc1ccc(-n2c(C)cc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)c2C)cc1 222737524 FIBUKRWRQGBSAQ-NHCUHLMSSA-N 376.529 4.400 10 40 GICB O=C1[C@H](Cc2ccc3c(c2)OCO3)SC(=S)N1CCC1CCCCC1 409149555 JRUUXURWSLTRPX-KRWDZBQOSA-N 377.531 4.157 10 40 GICB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1C(=O)c1ccc(F)cc1 3099020 FTWAGDIHRVXDHA-CXUHLZMHSA-N 382.441 4.349 10 40 GICB Cc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCCCC2)cc1C 13007767 QEFWROGRDXNLPI-XMMPIXPASA-N 391.559 4.253 10 40 GICB Cc1csc([C@@H](Cc2cccs2)NCc2ccc(N3CCOCC3)cc2)n1 19240082 HDIZMTNTANLJFV-HXUWFJFHSA-N 399.585 4.423 10 40 GICB CC1=CN2C(=N)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N=C2S1 32969764 RONNGONKOKMBNV-FEPFWZQZSA-N 394.412 4.330 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(-c4cccc(F)c4)o3)C2=O)cc1 409012767 KMSFIGABQDOJDL-LDADJPATSA-N 390.370 4.061 10 40 GICB CSc1cccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c1 409339874 MFTWLBUCZCYMRS-OVCLIPMQSA-N 375.496 4.226 10 40 GICB COc1ccc(Nc2cc3c(c4nsnc24)C(=O)c2ccccc2C3=O)cc1 4600999 SVXYVFIEDXTUTQ-UHFFFAOYSA-N 387.420 4.219 10 40 GICB COc1ccc(N2C(=O)/C(=C/C3=Cc4ccccc4OC3)SC2=S)cc1 6441538 IBOLQDAPBQACOK-WQRHYEAKSA-N 381.478 4.420 10 40 GICB CCCOc1ccccc1/C=C1/C(=O)N(c2ccc(OCC)cc2)C(=O)N=C1O 59860398 LWJMIZDGLYOKCK-NBVRZTHBSA-N 394.427 4.381 10 40 GICB C[C@@H](NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(N2CCOCC2)cc1 140010742 ZIHWCRXEFRBWRU-CYBMUJFWSA-N 393.915 4.363 10 40 GICB Cc1ccc(Cl)cc1N1C(=O)NC(=O)/C(=C\c2ccccc2OC(C)C)C1=O 408807890 IGZCASGUHWXHKH-MHWRWJLKSA-N 398.846 4.102 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1O 4614327 MUGNNBUETIXPMS-ZROIWOOFSA-N 377.874 4.460 10 40 GICB COc1ccccc1/C=C1/SC(=S)N(C(=O)c2ccc(Cl)cc2)C1=O 33560798 XBKXPHNYVTYIJK-XNTDXEJSSA-N 389.885 4.390 10 40 GICB CCc1cc(=O)oc2c(C)c(O)c(CN(C)C[C@H]3CCCN4CCCC[C@H]34)cc12 1565520163 NMRPWGZCNJVZND-WIYYLYMNSA-N 398.547 4.066 10 40 GICB biogenic O=C(O)CCCN1C(=O)/C(=C/c2ccc(-c3ccccc3F)o2)SC1=S 5013972 DSISJFIYTZKMCE-GDNBJRDFSA-N 391.445 4.152 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 6078803 VDRDVBLIXMTJPY-LFIBNONCSA-N 386.454 4.399 10 40 GICB COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C 14009361 QSGRMXCLEJZLES-WQRHYEAKSA-N 384.863 4.050 10 40 GICB COc1ccccc1-c1coc2c(CN3CCC[C@H](C)C3)c(O)ccc2c1=O 19682097 BJQXCHURLJCSBA-HNNXBMFYSA-N 379.456 4.406 10 40 GICB biogenic N=C(NCc1ccccc1)[C@H](/N=N/c1ccccc1)C(=O)NCc1ccccc1 66166478 FAZOIBGUMUTFQO-CUDYFHFOSA-N 385.471 4.222 10 40 GICB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1 3388251 VCPGRBKQGBWGEE-UHFFFAOYSA-N 391.423 4.171 10 40 GICB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)ccc1O 5373368 AGJSSUVVDYZHGB-AUWJEWJLSA-N 391.857 4.150 10 40 GICB CCCN(CC(=O)Nc1ccccc1OC)Cc1c(O)ccc2ccccc12 6865412 YVOCBKRPXBMKBG-UHFFFAOYSA-N 378.472 4.405 10 40 GICB Cc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1cccnc1 13841722 RXKHXLJPDCVYLK-GRSHGNNSSA-N 392.846 4.240 10 40 GICB COc1ccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)cc1 27530337 ZIDIQGKWOLAUAQ-GZTJUZNOSA-N 384.482 4.059 10 40 GICB COc1cccc(N2C(=O)/C(=C/c3ccc4nccnc4c3)SC2=S)c1 54361120 PYELTXDFDOVWTE-YVLHZVERSA-N 379.466 4.044 10 40 GICB CC(C)Cc1c2oc3c(O)c(O)ccc3c2nc2c1c(=O)[nH]n2C1CCCC1 85879396 BBAMEOAZVBTOHB-UHFFFAOYSA-N 381.432 4.349 10 40 GICB biogenic COc1cccc(-n2c(C)cc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)c2C)c1 222741653 JXVAIBMGYSPKLG-LEWJYISDSA-N 392.528 4.100 10 40 GICB CCN(CCNC(=S)Nc1ccc(OC)c(Cl)c1)c1ccc(C)cc1 225793134 QNCZOISEBYKTJP-UHFFFAOYSA-N 377.941 4.470 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)cc1C 1862762 YOSUAQVSLZEJHA-DHDCSXOGSA-N 388.539 4.205 10 40 GICB COC(=O)c1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4959472 TUVWSTBUSUXFDH-NJSLBKSFSA-N 380.400 4.217 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)cc2)SC1=S 6654813 MNOKRUIHXXIOIH-BOPFTXTBSA-N 399.493 4.185 10 40 GICB CN(Cc1ccc(N(C)C)cc1)Cn1nc(-c2ccccc2)c2ccccc2c1=O 36390994 HSLYKTBRFJNISU-UHFFFAOYSA-N 398.510 4.219 10 40 GICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccccc12 100422891 WUJNQPKBSMZQTL-STZFKDTASA-N 376.435 4.136 10 40 GICB O=C1S/C(=C/c2ccc(O)c(O)c2)C(=O)N1Cc1c(F)cccc1Cl 215138031 QBQWAUFMDOVNNW-VIZOYTHASA-N 379.796 4.127 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C 409063711 BIOAGXARCMTJMQ-BKUYFWCQSA-N 392.499 4.484 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c1 1244708 CQWWDDUTOPGATJ-YBEGLDIGSA-N 375.446 4.249 10 40 GICB O=C1N=C(O)/C(=C\c2cccc(F)c2)C(=O)N1c1ccc(Br)cc1 59198184 NNJCVSUOPDKPRH-NTEUORMPSA-N 389.180 4.095 10 40 GICB COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 222411848 HLPFWSVVQWOJLB-STXHMFSFSA-N 382.416 4.447 10 40 GICB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 223637985 BWBZTCLFBUNZPJ-UHFFFAOYSA-N 381.453 4.117 10 40 GICB Cc1ccc(C=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)o1 4568536 KIEOSEAYAGJXJN-UHFFFAOYSA-N 384.476 4.428 10 40 GICB COc1cccc(/C=C2/SC(=S)N(C(=O)c3ccc(Cl)cc3)C2=O)c1 5514590 DWZTXDWYGPAAOS-XNTDXEJSSA-N 389.885 4.390 10 40 GICB CCOc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccccc2)cc1 6811737 PNEPHXVMXABCGQ-UHFFFAOYSA-N 392.455 4.210 10 40 GICB O=C(NN1C(=O)/C(=C/c2cccc(F)c2)SC1=S)c1ccc(Cl)cc1 13712527 KYBDXMNHPOVONL-ZROIWOOFSA-N 392.864 4.025 10 40 GICB COc1ccc(/C=C2/C(=N)N3N=C(c4ccccc4Cl)SC3=NC2=O)cc1 13897731 WURBEJRCVYWBPQ-OIQQPNLJSA-N 396.859 4.016 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C2CCCCC2)C1=O 15011844 ABMSBMIEMBTDEY-XNTDXEJSSA-N 378.475 4.137 10 40 GICB Cc1ccc(F)cc1NCN1C(=O)S/C(=C/c2ccc(N(C)C)cc2)C1=O 17145722 WPDPDIWAZZZHLG-VCHYOVAHSA-N 385.464 4.306 10 40 GICB CCOc1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1 102556206 JELJFQMYTQPNNZ-LDADJPATSA-N 379.416 4.121 10 40 GICB O=C1/C(=C\c2cc3c(cc2Cl)OCO3)C(C(F)(F)F)=NN1c1ccccc1 408970974 BVEYAAPEVDQSNH-SDQBBNPISA-N 394.736 4.417 10 40 GICB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O 409018363 WORBHFTYHCNUTA-HWQJWEFDSA-N 397.500 4.028 10 40 GICB Cc1c(NS(=O)(=O)c2ccccc2)cc(C(C)C)c(O)c1Br 939783 ZKFXPAFCOFXCBK-UHFFFAOYSA-N 384.295 4.387 10 40 GICB COc1ccc(-c2csc(N3N=C(C)[C@@H](/N=N/c4nccs4)C3=O)n2)cc1 100510754 NHVSQGNWUDZYBE-YYZBOFOMSA-N 398.473 4.150 10 40 GICB Cc1ccc(N2C(=O)C(=Cc3ccco3)C(=O)N(c3ccc(C)cc3)C2=O)cc1 1424140 TVVCKXDLHSZJPI-UHFFFAOYSA-N 386.407 4.480 10 40 GICB Cc1ccc(C(=O)NN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 2313230 STFXOLMKIPFTSX-WIXUPIFPSA-N 380.494 4.097 10 40 GICB COc1ccccc1C1CCN(c2ccc(/C=C/C(=O)O)cc2[N+](=O)[O-])CC1 4272106 NWSGBHSRUMLOIF-VQHVLOKHSA-N 382.416 4.085 10 40 GICB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Br)cc1 13800451 SRFIBVCXYDJMPB-ZSOIEALJSA-N 377.263 4.181 10 40 GICB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccnc2Cl)c(C)n1-c1ccccc1 15811865 IVMDJXJCCBPJIQ-HNNXBMFYSA-N 397.862 4.327 10 40 GICB CCOc1ccccc1/C=C1\C(=O)N(c2ccc(C)cc2)C(C)=C1C(=O)OC 17167349 LTXKTEYBEVVFTO-RGEXLXHISA-N 377.440 4.271 10 40 GICB CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2O)cc1OC 59860772 XQGPSWNMAWHQFW-FOWTUZBSSA-N 394.427 4.299 10 40 GICB CSC1=NC(C)=C(C(=O)Nc2ccccc2)[C@H](c2ccc(N(C)C)cc2)N1 408991209 PRKNHGDRKOAORZ-IBGZPJMESA-N 380.517 4.029 10 40 GICB CCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(O)c2O)cc1 7884036 HBBWRAQAZSJRTF-NRFANRHFSA-N 376.412 4.268 10 40 GICB C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1)c1ccccc1 8023621 FMTBWKOLRDZOJC-AUSIDOKSSA-N 380.532 4.454 10 40 GICB CCOC(=O)c1c(C)oc2c1c(CN1C[C@H](C)O[C@@H](C)C1)c(O)c1ccccc12 23224597 VNYPUKLNLDKLDW-KBPBESRZSA-N 397.471 4.386 10 40 GICB COc1ccc(N2CCN(C(=O)CCc3ccc(Cl)c(Cl)c3)CC2)cc1 225325404 OHGJSCFVCRJEGA-UHFFFAOYSA-N 393.314 4.283 10 40 GICB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)C1=O 409243909 YWHCMKQDUMPZHA-RQZCQDPDSA-N 375.831 4.189 10 40 GICB Cc1ccc(-n2c(C)cc(C(=O)NS(=O)(=O)c3ccc(C)c(C)c3)c2C)cc1 8166313 BAPCORIUHPORLB-UHFFFAOYSA-N 396.512 4.138 10 40 GICB Cc1nc(NCCc2ccccc2)sc1C(=O)NCc1ccc(N(C)C)cc1 71326515 FXDLIJLYNQILNU-UHFFFAOYSA-N 394.544 4.102 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2O)c1C 222786410 QCGNBJODABRYJH-LEWJYISDSA-N 392.528 4.187 10 40 GICB Cc1ccc(N2CCN(C3=NC(=O)/C(=C/c4ccccc4)S3)CC2)cc1Cl 950637 GZBDFNAYVRADFL-UYRXBGFRSA-N 397.931 4.441 10 40 GICB Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3ccccc3Cl)S2)CC1 2264123 GWRATAKZWNTHML-RGEXLXHISA-N 397.931 4.441 10 40 GICB CCOc1ccc(NC(=O)COC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 4541631 FZNFSBZCTDUVPA-UHFFFAOYSA-N 392.455 4.288 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3ccccc3)N3CCCCC3)ccc21 9137932 QLINHHYOWIYLDX-HSZRJFAPSA-N 377.532 4.026 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2F)C(=O)/C1=C\c1ccc(SC)cc1 408797758 SPTAXIBTTWAVRL-VBKFSLOCSA-N 383.444 4.425 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)Nc3ccccc3)N3CCCC3)ccc21 35597167 PTRZNBHDQFVYAY-JOCHJYFZSA-N 378.520 4.028 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2OC)SC1=S 1249243 FUXIBYMXKRMPPF-WJDWOHSUSA-N 387.482 4.118 10 40 GICB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1 83313794 CDGSVDOSYPJPHC-GZTJUZNOSA-N 399.493 4.054 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225598302 HRJGUTYATPZAFK-MRXNPFEDSA-N 376.497 4.164 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccc(Cl)c1 408872546 GCXXZRFSNMJEKK-KPKJPENVSA-N 395.629 4.313 10 40 GICB CC(C)OC(=O)c1c2c(n3cc4ccccc4cc13)C(=O)c1ccccc1C2=O 3635772 AHZSSRGHDDBAAF-UHFFFAOYSA-N 383.403 4.433 10 40 GICB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)NC2=O)cc1 12686053 IIDSVRMPXVCXNG-BOPFTXTBSA-N 377.494 4.337 10 40 GICB COc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1OC(F)F 96663410 ZEDLCCQBBVFONJ-XNTDXEJSSA-N 376.384 4.379 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c(OC)c1 225689985 QDYWMCMXNONWKV-MRXNPFEDSA-N 399.560 4.427 10 40 GICB CC(C)COc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1Br 408602493 OULGUKIPDOUAMW-QPEQYQDCSA-N 386.336 4.315 10 40 GICB Cc1cc(C)c2c(C(=O)OC(C)(C)C)c3c(n2c1)C(=O)c1ccccc1C3=O 1926280 IKLQJOXPPLJXKR-UHFFFAOYSA-N 375.424 4.287 10 40 GICB Cc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccccc3)C2=O)cc1 2304281 HYHUGMCJQHFSGA-LGMDPLHJSA-N 382.510 4.225 10 40 GICB CSC1=NC(C)(C)C[C@@]2(C[C@H](c3cccs3)c3ccc(O)c(O)c3O2)N1 5839948 MBCPPOKJQJROEC-BUXKBTBVSA-N 390.530 4.261 10 40 GICB COc1ccc(C[C@@H]2SC(=S)N(CCc3ccccc3)C2=O)cc1Cl 8161556 WKXAYZLMHRQYAS-KRWDZBQOSA-N 391.945 4.363 10 40 GICB Cc1csc([C@H](Cc2cccs2)NCc2ccc(N3CCOCC3)cc2)n1 19240083 HDIZMTNTANLJFV-FQEVSTJZSA-N 399.585 4.423 10 40 GICB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCCc1c[nH]c2ccc(F)cc12 103916898 KCEUNLSBBQGXGH-BKUYFWCQSA-N 394.425 4.275 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccccc1OC 103917563 KNWOIWZZGKFSPB-QNGOZBTKSA-N 381.451 4.401 10 40 GICB COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OCc1cccc(C)c1 113834933 WTKLYIBZCCCYLV-WOJGMQOQSA-N 385.510 4.414 10 40 GICB Cc1ccc(NC(=O)CN2C(=O)/C(=C/c3ccccc3)SC2=S)cc1C 1236408 QJTRXEYOFIYJDQ-BOPFTXTBSA-N 382.510 4.143 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3ccccc3F)c2C)cc1 4840105 WCHWSSUEOFCFBX-UHFFFAOYSA-N 381.403 4.282 10 40 GICB COC(=O)c1ccc(-n2c(C)cc(C(=O)CSc3ccccn3)c2C)cc1 5225932 LBKJGWUWESXGPB-UHFFFAOYSA-N 380.469 4.251 10 40 GICB Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1C1CCCCC1 409194548 MYIXBCHNSCGITO-UYRXBGFRSA-N 383.492 4.015 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2ccccc2Cl)C1)CCC3 12409377 CKAGISIBZGIXBT-MRXNPFEDSA-N 394.858 4.388 10 40 GICB COc1cc(OC)c(OC)cc1/C=C1\C(=O)N(c2ccc(Cl)cc2)N=C1C 12562610 JAJCOIOOPHSXOE-SXGWCWSVSA-N 386.835 4.172 10 40 GICB COc1cccc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)c1 27530335 NMHWYXQIKLHGIM-GZTJUZNOSA-N 384.482 4.059 10 40 GICB CCOc1ccc(/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)N=C2O)cc1OC 59860885 VAICBTDTQQHEJD-LFIBNONCSA-N 394.427 4.217 10 40 GICB CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O 409099710 SHZJCWNNLPHILL-GZTJUZNOSA-N 398.846 4.022 10 40 GICB O=C(O)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 2189018 OMLYNLORDBMPEM-ZSOIEALJSA-N 375.858 4.444 10 40 GICB FC(F)(F)COc1nc(/N=N/c2ccccc2)nc(OCC(F)(F)F)n1 4776513 JTSHQBGDLLJNPK-WCWDXBQESA-N 381.236 4.169 10 40 GICB Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 102907378 URVOPYQGLVPBJJ-AUSIDOKSSA-N 386.407 4.363 10 40 GICB CC/C(C)=C1\SC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)=NC1=O 5478385 ZLNHEOKZRDDNPX-QINSGFPZSA-N 383.439 4.141 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C3CC3)c2C)cc1 6993321 MBVKVOMUJRQTOW-UHFFFAOYSA-N 396.516 4.313 10 40 GICB COC(=O)c1cc2ccccc2c(CN2CCO[C@H](c3ccc(F)cc3)C2)c1O 29886847 ARDYANRFYCWXIA-NRFANRHFSA-N 395.430 4.045 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] 409342212 CUJLLNYFVGVGIG-YBEGLDIGSA-N 386.454 4.318 10 40 GICB Cc1cccc(N2C[C@@](O)(c3ccc(Cl)c(Cl)c3)[N+]3=C2SCCC3)c1 4086818 BPIWLLZGRXAXQS-LJQANCHMSA-N 394.347 4.473 10 40 GICB Cc1ccc(N2CC(=O)N(c3ccccc3)[C@@H](c3ccc(N(C)C)cc3)C2=O)cc1 15413063 PYSJKJQOQIRJGE-DEOSSOPVSA-N 399.494 4.182 10 40 GICB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1ccccc1Cl 5477821 ANDJBEKHKKRRAO-OXTPFRESSA-N 390.873 4.035 10 40 GICB CCCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 5825167 VWZWHMPGDFGIDE-DTQAZKPQSA-N 393.530 4.020 10 40 GICB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)c3ccc4c(c3)OCCO4)cc2)C1 225402671 TXFXIHTUYKUYAF-IAGOWNOFSA-N 380.488 4.185 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cccc(Oc4ccccc4)c3)C2=O)cc1 1192736 INBDLUHIBKOHGU-RCCKNPSSSA-N 398.418 4.454 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(=O)N=C2S1 5157506 DZQFQCCIVDUHLZ-ZJNHSXOMSA-N 391.500 4.182 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 5172443 CHRWMXRBUDOPES-NVNXTCNLSA-N 390.417 4.148 10 40 GICB CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)N=C2S1 5180395 KGCWYPHPNUFPHA-JTKJEDPUSA-N 391.500 4.432 10 40 GICB CCN(CC)c1ccc(CN(C)C(=O)Cc2coc3cc(OC)ccc23)cc1 12544185 NKEYYXMQNJSYRL-UHFFFAOYSA-N 380.488 4.489 10 40 GICB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1ccccc1Cl 20289345 LSVCJHMZHZXGMD-NBVRZTHBSA-N 383.904 4.133 10 40 GICB COc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 225657773 LCZCVBZMVBWNNU-MRXNPFEDSA-N 384.549 4.374 10 40 GICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Cl 408814278 YXWMXHBGTSXZRN-LFIBNONCSA-N 398.846 4.104 10 40 GICB CCc1ccc(-c2ccc(/C=C3/SC(=S)N([C@@H](C)C(=O)O)C3=O)o2)cc1 5032698 XTLQZQUDMJLQAZ-YAFRSCOQSA-N 387.482 4.183 10 40 GICB Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)C2=O)c1 59426639 KNJUYVXJVRVNOV-RIYZIHGNSA-N 389.238 4.277 10 40 GICB CCN(CC)c1ccc(CNS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 225068022 ZXWCSUPSEQFTMV-UHFFFAOYSA-N 387.332 4.318 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 409025308 SXWIOBQZTADPRL-YVLHZVERSA-N 386.860 4.025 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 5371279 DDLDDCWPZUCKBN-AQTBWJFISA-N 385.510 4.148 10 40 GICB Cc1cc2oc(=O)c3c(c2c(O)c1C1=NN[C@@H](c2cc(F)ccc2F)C1)CCC3 12408585 OUUHXXCKTKXJJK-MRXNPFEDSA-N 396.393 4.013 10 40 GICB N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(C3CCCCC3)=NN12 18115365 YGAWAUHFRVMHCO-INIXKHHFSA-N 377.473 4.367 10 40 GICB CCN1C(=O)/C(=C/c2ccc(NC(=O)Cc3ccccc3)cc2)SC1=S 5591684 IKKQWWCURCIARX-ATVHPVEESA-N 382.510 4.089 10 40 GICB CC(/C=C1\SC(=S)N([C@@H](CC(C)C)C(=O)O)C1=O)=C\c1ccccc1 16935129 XJFJSBILOPBQJB-BEHRUQFISA-N 375.515 4.333 10 40 GICB COc1ccc(OC)c(/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1 27229403 OWVOFHKAIYQTAW-QGOAFFKASA-N 385.510 4.148 10 40 GICB Cc1ccc(Cn2nc(C)c(C(=O)N(C)Cc3ccccc3O)c2Cl)cc1 42117289 JSILGUIENCPLOL-UHFFFAOYSA-N 383.879 4.179 10 40 GICB Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 408996764 NCBITONPKCKMHO-JXMROGBWSA-N 381.240 4.030 10 40 GICB Cc1cc(C(=O)COC(=O)[C@@H]2CCCO2)c(C)n1-c1cccc(C(F)(F)F)c1 7180844 LIXWQKCPHAZTDF-SFHVURJKSA-N 395.377 4.018 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2F)c1C 409053703 HEEQIYPJKNHAEP-PDGQHHTCSA-N 396.462 4.314 10 40 GICB COc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc(OC)c1OC)[C@H]1CC=C[C@@H]21 409158098 WNDDRILSVNSXPO-NQCMUKECSA-N 382.416 4.447 10 40 GICB COc1cc(/C=C2\SC(=S)NC2=O)ccc1OCc1ccc(Cl)cc1 975335 KITMBFVXUBXQIS-SXGWCWSVSA-N 391.901 4.416 10 40 GICB C[C@H](CC(=O)N(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1)c1ccccc1 8023600 FMTBWKOLRDZOJC-XXBNENTESA-N 380.532 4.454 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)cc1Cl 9232298 WGVPKNKHOWVUIO-OVCLIPMQSA-N 377.874 4.460 10 40 GICB O=C1N=C(O)/C(=C\C=C\c2cccc([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 13894980 RUYMGEFYPNPAAO-NKJMRRHMSA-N 397.774 4.311 10 40 GICB Cc1ccc(NC(=O)c2cnn3c(O)cc(Cc4c[nH]c5ccccc45)nc23)cc1 19210710 CUGAMHSIACFAHB-UHFFFAOYSA-N 397.438 4.068 10 40 GICB CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)ccc2OCc2ccccc2)S1 32109987 HOOCPRJPDQPSDF-LICLKQGHSA-N 386.860 4.025 10 40 GICB O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)OCc1ccccc1 1750287 KPDONTLHKYNYKX-LGMDPLHJSA-N 383.494 4.021 10 40 GICB COc1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)cc1 8028866 ZPYCBZUBMWVULI-YCRREMRBSA-N 391.298 4.364 10 40 GICB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 13546299 WXVZGVACPGNSSF-MHWRWJLKSA-N 386.454 4.005 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)CSc3nnc4ccccn34)c2C)cc1 952456 XJAOVJWZBDTRPC-UHFFFAOYSA-N 392.484 4.120 10 40 GICB CC(C)c1ccc(-c2ccc(/C=C3\SC(=S)N(CC(=O)O)C3=O)o2)cc1 5032433 YFCVFAHCJDEFMI-SXGWCWSVSA-N 387.482 4.356 10 40 GICB COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OC(C)=O 409330215 JUZHOERIGTYVHG-WOJGMQOQSA-N 399.493 4.022 10 40 GICB O=C1N=C(Nc2ccccc2O)S/C1=C\c1cccc(Br)c1 5770726 FMYWLXBRDMCQSQ-ZROIWOOFSA-N 375.247 4.237 10 40 GICB Cc1ccc(OCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)cc1C 13940729 MDDARPUAORJHCN-LDADJPATSA-N 385.510 4.250 10 40 GICB COc1ccc(-c2ccc(CCC(=O)O)n2CC(=O)Nc2ccc(C)cc2)cc1 14153055 YJRREORKGHMSEJ-UHFFFAOYSA-N 392.455 4.128 10 40 GICB O=S(=O)(Nc1ccc(O)c(Br)c1)c1cccc2ccccc12 39987023 RLGZAEZIEQOMAM-UHFFFAOYSA-N 378.247 4.109 10 40 GICB COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=O)/C1=C\c1ccccc1OC 409016474 UFPVGQVHODJCML-UYRXBGFRSA-N 377.440 4.189 10 40 GICB CC(C)CC1=NN2C(=N)/C(=C/c3ccc(Br)cc3)C(=O)N=C2S1 27549452 DUKSPQMCYRORRS-PEMMUPCOSA-N 391.294 4.114 10 40 GICB CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(O)=NC1=S 34896189 LWASNMNDPOZEPH-YFHOEESVSA-N 381.240 4.350 10 40 GICB CC1=CC2=NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)C(=N)N2O1 41078324 MWMVRLMNDJXHPO-RCOXNWNUSA-N 393.830 4.369 10 40 GICB CC(C)n1[nH]c(=O)c2c(-c3ccccc3)c3oc4c(O)c(O)ccc4c3nc21 85875692 ZQKGRRVDKAHGIX-UHFFFAOYSA-N 375.384 4.283 10 40 GICB biogenic CSc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1 223650094 PWCWETACTMBGPS-UHFFFAOYSA-N 383.494 4.440 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3337299 ZIESBDGUEIQUAB-UHFFFAOYSA-N 388.467 4.230 10 40 GICB O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(Sc2ccccc2)o1 4614295 XQUMFWWBIGLTJU-LGMDPLHJSA-N 390.420 4.097 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(F)cc3)N3CCCCC3)ccc21 9137591 RVDHAPZEOFFPAG-HSZRJFAPSA-N 395.522 4.165 10 40 GICB Cc1ccc(S(=O)(=O)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1 9418533 YDOMNQMULZPVDG-UHFFFAOYSA-N 380.425 4.310 10 40 GICB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc(O)nc2ccccc12 10962500 GFEQEEMTWJGMGM-UHFFFAOYSA-N 375.472 4.203 10 40 GICB C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccc(N2CCCCC2)cc1 225663860 APCIWBIWRSHQRE-OAHLLOKOSA-N 383.517 4.453 10 40 GICB NC(=O)C1CCN(C(=S)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 409197862 QKSUHLKWWWQXHS-UHFFFAOYSA-N 383.300 4.126 10 40 GICB Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1Cc1ccccc1)C(=O)N2 5119641 UEGKOHQYHTWTJO-ZHZULCJRSA-N 393.446 4.246 10 40 GICB CCN(CC)CCOC(=O)c1ccc(/N=N\c2cc(NC(C)=O)ccc2O)cc1 104345676 MASHXKWLPWHOKQ-VHXPQNKSSA-N 398.463 4.265 10 40 GICB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(O)c(O)c1 5156132 BLJJFMFCMBUSEH-UHFFFAOYSA-N 394.474 4.189 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 6078809 AIMWWPWRYRXTIR-LFIBNONCSA-N 386.454 4.399 10 40 GICB CCOc1ccc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc12 59109567 GYINSSMTPBHVOC-XMHGGMMESA-N 392.455 4.033 10 40 GICB CCc1ccc(NC(=O)CSc2ncc(-c3ccc(OC)cc3)n2C)cc1 7423533 GUVQZIVBFOYDOJ-UHFFFAOYSA-N 381.501 4.389 10 40 GICB Cc1ccc(S(=O)(=O)NC(=O)Nc2c3ccccc3nc3ccccc23)cc1 16310188 BQCVUWISHKVLNP-UHFFFAOYSA-N 391.452 4.207 10 40 GICB COc1cc2c(cc1/C=C1\SC(=S)N(Cc3ccc(C)cc3)C1=O)OCO2 409055174 WWMRMWIQOIRGJL-LSCVHKIXSA-N 399.493 4.134 10 40 GICB Cc1ccc(C(=O)NN2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 2300018 XZLFCYMYFAIGIS-GDNBJRDFSA-N 388.901 4.195 10 40 GICB O=C(NN1C(=O)/C(=C/C=C/c2ccco2)SC1=S)c1cccc(Cl)c1 5478069 ZRHJVXTZVLWSAU-NTOUICHMSA-N 390.873 4.035 10 40 GICB O=S(=O)(NCc1ccc(N2CCCC2)cc1)c1cc(Cl)ccc1Cl 10113622 KVNMYGGHHQHOCQ-UHFFFAOYSA-N 385.316 4.072 10 40 GICB C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(O)cc3F)cc2Cl)C1 1626169032 LTHOKTQVRPXUFS-CYBMUJFWSA-N 376.859 4.351 10 40 GICB CCc1cccc2c(/C=C3/C(=O)Nc4ccccc43)cn(CC(=O)N3CCCC3)c12 4704934 USVDNDLRNJBRDZ-KGENOOAVSA-N 399.494 4.319 10 40 GICB CCN(CC)c1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1 4735538 VHAHUFPKRVMFMV-OAQYLSRUSA-N 390.487 4.344 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3cccc(C)c3)C(C(=O)OC)=C2C)cc1 6962898 OMIGMFPTAMQZNJ-ZHZULCJRSA-N 377.440 4.271 10 40 GICB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 217946526 HWEAMSGSQHEXNZ-SFHVURJKSA-N 382.504 4.188 10 40 GICB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccccc1Br 408815087 IFZDBDIENVKDJF-ZSOIEALJSA-N 377.263 4.181 10 40 GICB COc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc(OC)c1OC)[C@@H]1CC=C[C@H]21 6954770 QECQYVUFVPTCPJ-KSMMKXTCSA-N 382.416 4.447 10 40 GICB COc1cccc2ccc(/C=C3/SC(=S)N(Cc4ccco4)C3=O)nc12 13723126 LRDKOWXCFVAGRH-MHWRWJLKSA-N 382.466 4.238 10 40 GICB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n1-c1ccccn1 222819058 QAYQIEQAZBAKGW-SFTDATJTSA-N 391.544 4.265 10 40 GICB C[C@@H]1CC(C)(C)N(C)c2ccc(/C=C/c3c(C(=O)O)cnc4ccnn34)cc21 253495624 KXHHAVMKQSNTKX-IZPAUZPXSA-N 376.460 4.320 10 40 GICB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(N(C)C)cc1 409064316 CBAXGTIYISAMIN-LGMDPLHJSA-N 396.874 4.283 10 40 GICB Cc1ccc(C)n1N1C(=O)/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)SC1=S 409205815 UHCXGJOIOZVMMR-ZSOIEALJSA-N 393.877 4.204 10 40 GICB CC(/C=C1\SC(N2CCN(c3ccccc3)CC2)=NC1=O)=C\c1ccccc1 5373158 UWLIQOLUPBJWEP-MELVWCACSA-N 389.524 4.425 10 40 GICB O=C1c2ccccc2C(=O)C1C(c1ccccc1)C1C(=O)c2ccccc2C1=O 100103031 AEKFPJQSPBTNGY-UHFFFAOYSA-N 380.399 4.161 10 40 GICB COC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225695022 ADKCYOUFXPSMCH-MRXNPFEDSA-N 397.544 4.429 10 40 GICB CC[C@@H]1CCCCN1C(=O)CCN1C(=O)/C(=C/c2cccs2)SC1=S 2252220 PLQISDXXCMTSGX-DKXRRRNBSA-N 394.587 4.131 10 40 GICB Cc1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1C 4745483 MUUALEAXIDSLPO-LFIBNONCSA-N 386.498 4.126 10 40 GICB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(C(=O)O)cc3)S2)cc1 6869750 ZAGCPVIKIPTHMV-AQTBWJFISA-N 395.484 4.313 10 40 GICB COc1ccc(/C=C2/SC(=S)N(CCc3nc4ccccc4o3)C2=O)cc1 10232942 LPCIYWUXKFAFQL-SFQUDFHCSA-N 396.493 4.280 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c1 409054303 ULYPPURJZFIFRK-WQRHYEAKSA-N 385.510 4.414 10 40 GICB COc1ccc2c(c1)c(=O)oc1c(C)c(O[C@@H](C(=O)O)c3ccccc3)ccc12 950420 IJLWGEUHKYAYIS-OAQYLSRUSA-N 390.391 4.468 10 40 GICB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ccccc2)c1C 222781977 APGOAGLBNPYBLT-NHCUHLMSSA-N 376.529 4.482 10 40 GICB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1OC 260466393 SAFIEBZLHUHODZ-DLBZAZTESA-N 382.504 4.431 10 40 GICB Cc1cc(N2CCCCC2)ccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409252322 XGRVWJPHBRESGQ-RCCKNPSSSA-N 375.472 4.078 10 40 GICB CCOC(=O)c1ccc(N/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 618254893 JDDLEYFVUUMZOW-VBKFSLOCSA-N 384.482 4.182 10 40 GICB O=C(O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1 1505533 BSTPWJXDMUABNY-ZSOIEALJSA-N 375.858 4.444 10 40 GICB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12 10213911 JMLYQOXJKVPBOF-FQEVSTJZSA-N 377.488 4.138 10 40 GICB CC(=O)NC1=NC(=O)/C(=C/c2ccc(OCc3cccc(Cl)c3)cc2)S1 409023404 VEUMUPNQOMACOQ-YVLHZVERSA-N 386.860 4.025 10 40 GICB Cc1ccc(N2NC(=O)/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 842301 DRSFQSBWSMRAPN-RCCKNPSSSA-N 384.435 4.035 10 40 GICB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C 2390053 MCSHRHSMVKVYAB-CDMRAEPUSA-N 397.891 4.305 10 40 GICB CC[C@H](C)[C@H](C(=O)O)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374337 ZGBJEPYGRLQJMX-PFIVJWCNSA-N 387.885 4.180 10 40 GICB CCc1ccc2c(c1)/C(=C1/SC(N(C)c3ccc(Cl)cc3)=NC1=O)C(=O)N2 15016491 JTINVLQLFKILNK-MSUUIHNZSA-N 397.887 4.331 10 40 GICB CCS(=O)(=O)c1ccc(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1 21692981 QMQFVCCDDWOVHW-UHFFFAOYSA-N 382.485 4.140 10 40 GICB COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2Cc2ccccc2)cc1 44086306 CBDGDUDVSGWXOT-UHFFFAOYSA-N 395.528 4.224 10 40 GICB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccc(C)c1 408585792 IROFPFIFSRMBJN-ZHZULCJRSA-N 377.440 4.271 10 40 GICB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cc(Cl)ccc2O)CC1 819223 BFPAKPFJQLFGRV-UHFFFAOYSA-N 386.923 4.306 10 40 GICB O=C1/C(=C\c2cccn2-c2ccccc2)C(O)=NC(=S)N1c1ccc(F)cc1 2207304 FHQPSOUMZFGLMM-AQTBWJFISA-N 391.427 4.288 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1 5371328 ULESTCQEJHGMBA-YVLHZVERSA-N 387.482 4.118 10 40 GICB CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccc(C)c(C)c4)c3C)C(=O)N=C2S1 5484682 XSKQNLJUGNKUHT-QLDZPZBVSA-N 391.500 4.350 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 16268604 KTRSLEQHRRELEV-MOSHPQCFSA-N 378.472 4.175 10 40 GICB CN(Cc1ccccc1O)C(=O)c1nn(-c2ccccc2)c2c1CCCCC2 53916501 CNTNBUFBLKEMQK-UHFFFAOYSA-N 375.472 4.119 10 40 GICB Cc1ccc(-n2cccc2/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc1C 3363474 JAXJGGQTFYDBOJ-XSFVSMFZSA-N 399.450 4.069 10 40 GICB CC(/C=C1\SC(=S)N(NC(=O)c2ccc(F)cc2)C1=O)=C\c1ccccc1 5025091 ZDMKGQGMXPHXMO-YMGXUNRSSA-N 398.484 4.318 10 40 GICB CCOC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(N(C)C)cc1 6205958 VMWHYTZPZBIWAX-HXUWFJFHSA-N 395.528 4.026 10 40 GICB Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)c2ccccn2)cc1 28288142 TWDVQQVHTRMUJL-UHFFFAOYSA-N 375.472 4.068 10 40 GICB CC(C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl 33706551 HFYRZZSLABJZRY-ZSOIEALJSA-N 391.254 4.242 10 40 GICB CCOc1cccc2c1O[C@H](c1ccncc1)N1N=C(c3ccccc3O)C[C@@H]21 227486601 DSUXZMFAJHEAQV-WMZHIEFXSA-N 387.439 4.428 10 40 GICB COc1ccc(N2CCN(CC[C@@H](O)c3ccc4ccccc4c3)CC2)cc1 2521078 YLTRVLLAUCLYTN-XMMPIXPASA-N 376.500 4.094 10 40 GICB COc1ccc(C(=O)N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 5003427 KJMWWJRQNZODGF-LICLKQGHSA-N 394.477 4.218 10 40 GICB CC(C)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 408781399 SBFAGEHTJNHHEN-WOJGMQOQSA-N 398.846 4.041 10 40 GICB O=C(N[C@H](C(=O)O)c1ccccc1O)OCC1c2ccccc2-c2ccccc21 95748937 XKHOSASNJXLXNK-NRFANRHFSA-N 389.407 4.057 10 40 GICB CC(=O)N(C)c1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1 5457349 CGHHLJHYAQPQSA-RCCKNPSSSA-N 385.423 4.097 10 40 GICB COc1ccc(OCC(=O)c2cc(C)n(-c3ccccc3)c2C)c([N+](=O)[O-])c1 3447500 TVNQHEKSDPYUOQ-UHFFFAOYSA-N 380.400 4.273 10 40 GICB Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc(F)c1 4675813 IGOMTDKVYUKOCM-CIAFOILYSA-N 389.430 4.326 10 40 GICB Cc1ccc(NC(=O)Cn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 6811727 LTFCWAZOKPBFFK-UHFFFAOYSA-N 376.456 4.428 10 40 GICB CN1CCCc2cc([C@@H](CNC(=O)c3ccc(C(C)(C)C)cc3)N(C)C)ccc21 13008193 BANCEGAPGJUBQF-HSZRJFAPSA-N 393.575 4.399 10 40 GICB Cc1[nH]c2ccccc2c1Cc1cc(O)n2ncc(C(=O)Nc3ccccc3)c2n1 19581674 LUBGGHUEITZZJG-UHFFFAOYSA-N 397.438 4.068 10 40 GICB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(N2CCCCC2)cc1 44902704 QGQPMRINOMQZPX-JOCHJYFZSA-N 382.504 4.159 10 40 GICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1 2286378 VOQLKIJVUZKACQ-GXDHUFHOSA-N 389.238 4.222 10 40 GICB O[C@@]1(c2ccc(Cl)cc2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCS2 4086797 AWSOCCMKWJFERI-GOSISDBHSA-N 380.320 4.164 10 40 GICB COc1cccc2ccc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)nc12 54360844 LRDKOWXCFVAGRH-YBEGLDIGSA-N 382.466 4.238 10 40 GICB [N-]=[N+]=NCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1 102828808 FCZPDWIDFTZCQQ-INIZCTEOSA-N 384.237 4.437 10 40 GICB CCOc1cccc(/C=C2\SC(=S)N(c3ccc4c(c3)OCO4)C2=O)c1 107702638 OUCSIYGAVALRGB-MFOYZWKCSA-N 385.466 4.220 10 40 GICB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2C)c(C)n1-c1ccccc1 5363990 OJJKFVJYGJCZJA-UHFFFAOYSA-N 392.484 4.458 10 40 GICB O=C1N=C(NC2CCCCC2)S/C1=C/c1ccc(O)c(Br)c1 96121216 NGKBZAOVEKDTAM-NTEUORMPSA-N 381.295 4.047 10 40 GICB Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c(C)n1C1CCCCC1 408740753 MGXNFMNEMDSZPY-XSFVSMFZSA-N 391.471 4.277 10 40 GICB CCN(CC)c1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(OC)c1 409239524 NPPMASWCXSDFPE-LDADJPATSA-N 399.878 4.292 10 40 GICB CCOc1ccc([C@@H](NC(=O)c2cccnc2)c2ccc3cccnc3c2O)cc1 890438 IHGKRRGTIZSSFX-OAQYLSRUSA-N 399.450 4.254 10 40 GICB O=C(O)c1cc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)ccc1O 4745765 QKBAUZPLMRPXIK-QSJINSDNSA-N 383.450 4.052 10 40 GICB N=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)C(=O)N=C2SC=CN12 41074308 OYFHXWQVWRANJA-YEZNUIPASA-N 397.463 4.316 10 40 GICB COc1cc([C@@H](C)NCc2ccc(N3CCOCC3)cc2)ccc1OC(C)C 48710130 DXBFMXKSKFXUKN-GOSISDBHSA-N 384.520 4.170 10 40 GICB Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCCc2ccccc21 924797 BUUJYPMPKAKSKX-UHFFFAOYSA-N 381.476 4.298 10 40 GICB Cc1cc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(F)cc1 3343099 YFZANLTVJVLQAE-INIZCTEOSA-N 394.446 4.267 10 40 GICB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(C(=O)O)cc1 4704800 GUQDNDPOTLZIDP-LICLKQGHSA-N 384.457 4.237 10 40 GICB CCOc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1Cn1ccnc1 12128430 FOUCUWPDNNNKLC-SIKLNZKXSA-N 394.519 4.128 10 40 GICB COc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1OC 260737503 KXACXDRXOFZTSO-INIZCTEOSA-N 399.560 4.427 10 40 GICB COc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cn1 408738213 JFZOZEPKZQDBNO-QGOAFFKASA-N 399.406 4.470 10 40 GICB Cc1ccc(N2C(=O)NC(=O)/C(=C\c3c(Cl)cccc3Cl)C2=O)cc1C 408769668 YVTJISDETAQCMY-NTEUORMPSA-N 389.238 4.277 10 40 GICB COc1ccc(N2N=C(C)/C(=C(\C)NCCc3c[nH]c4ccccc34)C2=O)cc1 100135993 BNDHTXLNEWDBRJ-JCMHNJIXSA-N 388.471 4.005 10 40 GICB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c(C)n1-c1ccccc1F 222738581 VCARDRRBUMKDHQ-WOJBJXKFSA-N 380.492 4.231 10 40 GICB CC1=NN(c2ccc(Br)c(C)c2)C(=O)/C1=C\NCCc1ccccc1 408531580 KTXVBSLZWICAGV-AQTBWJFISA-N 398.304 4.196 10 40 GICB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C)oc2c(CN(C)C)c1O 934361 NVCXJOMKWUGCGR-UHFFFAOYSA-N 395.455 4.217 10 40 GICB biogenic O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2O)N1C[C@H]1CCCO1 12562731 BVFZGKDEIXKGDQ-XIKOKIGWSA-N 393.270 4.445 10 40 GICB CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc1 408818594 XKIKCFVQNLUCRS-FOWTUZBSSA-N 398.846 4.104 10 40 GICB CCc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C(C)(C)C)cc3)C2=O)cc1 1163798 BSSPBLQBAGHHGP-XMHGGMMESA-N 376.456 4.213 10 40 GICB CCCCN1CCc2cc(/C=C3\C(=O)N([C@@H](C)CC)C(=S)N=C3O)ccc21 34367014 QOCDRKFXCIVXOI-ZSRMJVKVSA-N 385.533 4.115 10 40 GICB Cc1ccc(C)n1-c1ccc(C(=O)Nc2cccc(-c3ccc(=O)[nH]n3)c2)cc1 61460574 VJAVWSYTFHWWBB-UHFFFAOYSA-N 384.439 4.097 10 40 GICB Cc1c(/C=C2\NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc(N2CCCC2)c1C 98086521 AVPROLFTEJFVKX-MOSHPQCFSA-N 393.462 4.136 10 40 GICB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)C(C(=O)OC)=C2C)cc1 408797522 SHYAJDPAUZJIEH-AQTBWJFISA-N 381.403 4.102 10 40 GICB Cc1ccccc1N1C(=O)/C(=C\c2ccc(N3CCOCC3)cc2)SC1=S 9232381 UPRNAAWVUZIBTJ-XMHGGMMESA-N 396.537 4.237 10 40 GICB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 27230664 NAQYCNHRCXWHSL-ZDLGFXPLSA-N 391.452 4.267 10 40 GICB CCc1ccccc1-n1c(C)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1C 34718349 MLSXTLNRHPREJW-QNGOZBTKSA-N 385.467 4.118 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1-c1ccc(OC)cc1 222809318 WASLMISPPKOBFP-SFTDATJTSA-N 392.528 4.182 10 40 GICB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1c(O)ccc2ccccc12 408768404 IQKOEAVQDMVUOO-UNOMPAQXSA-N 379.456 4.264 10 40 GICB Cc1ccc(/C=C2/SC(=S)N(NC(=O)c3ccc(Cl)cc3)C2=O)cc1 1450918 NGAOFXYTRWJZJP-XNTDXEJSSA-N 388.901 4.195 10 40 GICB CN(C)c1ccc([C@H]2SCC(=O)N2Nc2ncc(Cl)cc2Cl)cc1 2319828 ILMJNVJSBBGXFM-MRXNPFEDSA-N 383.304 4.056 10 40 GICB COc1ccc(-c2coc3c(CN4CCCCC4)c(O)ccc3c2=O)cc1OC 20411602 PSAMQSVEDFSMQJ-UHFFFAOYSA-N 395.455 4.169 10 40 GICB biogenic COC(=O)C1=C(C)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1 408765834 BNDPGPMMQPHZSE-KQRQPNSISA-N 390.483 4.186 10 40 GICB O=C1c2ccccc2C(=O)c2c1c(C(=O)OCc1ccccc1)c1ccccn21 950305 SPYQCJUKMVLDOW-UHFFFAOYSA-N 381.387 4.072 10 40 GICB biogenic COc1ccc(CN2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 16186347 CVMXUXLMDYWAGG-PDGQHHTCSA-N 384.526 4.163 10 40 GICB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1c(C)nn(-c2ccccc2C)c1O 95471034 NMQNLQNZALKOOV-CPNJWEJPSA-N 386.455 4.309 10 40 GICB O=C1N/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)N1c1ccc(Cl)cc1 409232624 AMOYCRJHFANGFG-SFQUDFHCSA-N 385.826 4.177 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1[N+](=O)[O-] 409343912 DTJDBWQQPXRYQW-DHDCSXOGSA-N 390.417 4.148 10 40 GICB CCc1ccc(N2C(=O)/C(=C3/C(=O)Nc4ccc(F)cc43)SC2=S)cc1 5552107 QMJINMDGOJEVPQ-NXVVXOECSA-N 384.457 4.116 10 40 GICB Oc1c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)ccc2cccnc12 19680919 HCJRDVCEUFLOHP-LJQANCHMSA-N 388.389 4.381 10 40 GICB Cc1cc(C(=O)NCc2nc(C3CC3)no2)c(C)n1-c1ccc(C(C)C)cc1 62580476 NBYUFJCMKUCANR-UHFFFAOYSA-N 378.476 4.408 10 40 GICB COc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222595973 OQRHWIDRFFMJAW-RVHYNSKXSA-N 394.544 4.280 10 40 GICB Cc1ccc(C)n1-c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 408708036 NNVSTBQAHZSKIC-KRWDZBQOSA-N 391.446 4.225 10 40 GICB O=C(CSc1nnc(-c2ccco2)c(-c2ccco2)n1)Nc1ccccc1F 4230913 BZYUITWKRFJQCP-UHFFFAOYSA-N 396.403 4.262 10 40 GICB CCCCOc1ccc(/C=C2\SC(=S)N(CC(=O)OCCC)C2=O)cc1 27563021 WBWRJPMZGOFHQU-VBKFSLOCSA-N 393.530 4.020 10 40 GICB COc1cc(N2N=C(C)/C(=C/NC(=O)Nc3cccc(C)c3)C2=O)ccc1Cl 408526773 CJXOTTYPWJVAIF-WJDWOHSUSA-N 398.850 4.085 10 40 GICB COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc2ccccc12 17081684 CABYPMZRWHBUTL-KQWNVCNZSA-N 399.450 4.492 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(Cl)c1O 974629 QDJWOLKXPNJPAH-ZROIWOOFSA-N 377.874 4.460 10 40 GICB COc1cc(OC)c(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1Cl 2121021 CHRCGDUTBQPUBJ-UHFFFAOYSA-N 387.819 4.129 10 40 GICB biogenic Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\C(=N)N3N=CSC3=NC2=O)c1C 2450979 KWEQIWQZQWKFJW-TVJXHFOGSA-N 397.891 4.305 10 40 GICB CCOc1ccc(CNC2(c3ccc(OC)cc3)CC2)cc1Cn1ccnc1 12117038 AENRFUXJWCKBEM-UHFFFAOYSA-N 377.488 4.118 10 40 GICB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2[N+](=O)[O-])cc1 16753948 UVNHZPYTVIFHCD-UHFFFAOYSA-N 379.416 4.096 10 40 GICB CCOc1ccc(OCC)c(N2C(=O)N=C(O)/C(=C\c3ccccc3C)C2=O)c1 59104449 VXVFZYNLWBXPPS-SFQUDFHCSA-N 394.427 4.299 10 40 GICB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2c[nH]c3ccccc23)S1 101143855 GLGKXIAGVIZVDV-MFOYZWKCSA-N 377.425 4.257 10 40 GICB CC1=CSC2=NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)C(=N)N12 103563377 OMIBXRVTWKCBGM-JBTTYCITSA-N 380.448 4.400 10 40 GICB COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)c(OC)c1 409054703 VSCMVPNKDXNEJD-ZDLGFXPLSA-N 385.510 4.414 10 40 GICB CCN(CC)c1ccc(-c2nc3cc(NC(=S)NC(C)=O)ccc3o2)cc1 6630104 PBZJPDDBQHAGTI-UHFFFAOYSA-N 382.489 4.174 10 40 GICB O=C1/C(=C/c2ccccc2)C(O)=NC(=S)N1c1ccc(Br)cc1 59198482 VTOALLHYQDPUCJ-GXDHUFHOSA-N 387.258 4.121 10 40 GICB CCOc1ccc(/C=C2\SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408724301 ADTCUNIXBZAZHK-WJDWOHSUSA-N 386.454 4.399 10 40 GICB COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=O)N(C(C)C)C2=O)c1C 409014294 IKGMFLDWAFHJEQ-WOJGMQOQSA-N 398.484 4.325 10 40 GICB CCN(CC)C(=O)CCCCCN1C(=O)/C(=C/c2ccccc2)SC1=S 1908783 LZZYXKUGSGCHCP-ICFOKQHNSA-N 390.574 4.317 10 40 GICB CCOc1ccccc1NC(=O)COC(=O)c1cccc(-n2c(C)ccc2C)c1 7379399 MPXHWVOUODLGAE-UHFFFAOYSA-N 392.455 4.288 10 40 GICB CCn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=S)N=C2O)c2ccccc21 33332487 YWYCLEGKGGHFAJ-BOPFTXTBSA-N 393.443 4.472 10 40 GICB C[C@H](NC(=O)c1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)c1ccccc1 5374699 JNXCQHGFQWMGCL-IGWPVBGESA-N 382.510 4.009 10 40 GICB CCOc1cccc2c1O[C@@H](c1cccnc1)N1N=C(c3ccccc3O)C[C@H]21 10215885 BBPGRYHTHQBEIY-XXBNENTESA-N 387.439 4.428 10 40 GICB Cc1ccc(OCCN2C(=O)S/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1 17185971 JCQVGJNLXNZRKJ-XMHGGMMESA-N 382.485 4.176 10 40 GICB Cc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(C)n1-c1ccccc1F 29888665 ZFRQXZVEJYWLQI-UHFFFAOYSA-N 379.391 4.344 10 40 GICB Cc1ccc(-c2csc(NC=C3C(=O)OC4(CCCCC4)OC3=O)n2)cc1 35592636 ASHIAZQUJHJNAW-UHFFFAOYSA-N 384.457 4.175 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccc(OC)c1 408769927 QRYBTDQEELTRPW-MOSHPQCFSA-N 377.440 4.189 10 40 GICB CCCCCOC(=O)CCCN1C(=O)/C(=C\c2ccccc2)SC1=S 5824978 SQKCAUSSKMYQSI-JQIJEIRASA-N 377.531 4.401 10 40 GICB COc1cccc2ccc(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)nc12 9481119 TYXGAPOJZYMDKY-GZTJUZNOSA-N 394.477 4.355 10 40 GICB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 112124030 KFLNOPRLRDVSFV-ZHZULCJRSA-N 394.431 4.492 10 40 GICB O=C(NN1C(=O)/C(=C\c2ccccc2F)SC1=S)c1ccc(Cl)cc1 40940251 RPJFARFLTOWNKQ-NTEUORMPSA-N 392.864 4.025 10 40 GICB Oc1ccc(Br)cc1CNC[C@H](c1cccs1)N1CCCC1 69374302 GJONCGJHWMLVOV-OAHLLOKOSA-N 381.339 4.143 10 40 GICB COc1cc2c(cc1NC(=O)NCCc1ccc(O)c(O)c1)oc1ccccc12 78813919 GRSMQUSGOMHDDV-UHFFFAOYSA-N 392.411 4.370 10 40 GICB COCCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 409125084 IZYAUSQBAIBZNI-GZTJUZNOSA-N 390.892 4.430 10 40 GICB CCn1cc(/C=C2\C(=O)N=C(O)N(c3cc(C)cc(C)c3)C2=O)c2ccccc21 2359043 YOCIPWUXUNIZFP-XDHOZWIPSA-N 387.439 4.149 10 40 GICB COC(=O)C1=C(C)N(c2cccc(SC)c2)C(=O)/C1=C\c1ccccc1OC 2648511 BQMMGQRGIKNFLP-PDGQHHTCSA-N 395.480 4.294 10 40 GICB CC(=O)Nc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 2696940 BEJFDYGEELBTJF-QFIPXVFZSA-N 384.439 4.495 10 40 GICB CCC[C@@H](C)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(N(CC)CC)cc1 4043603 JKGCBZXHNUIVLO-QRWLVFNGSA-N 387.524 4.140 10 40 GICB CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 5128667 UMIZUDJZBHTQRN-YBEGLDIGSA-N 385.470 4.067 10 40 GICB COc1ccc(N2C(=O)c3ccccc3N(C)[C@@H]2c2cccc(OC)c2O)cc1 12735272 CCZNHWLMGXKTAT-QFIPXVFZSA-N 390.439 4.205 10 40 GICB COc1ccc(CCN2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1OC 35040117 GGFWIQCJPUKCFO-BOPFTXTBSA-N 389.498 4.049 10 40 GICB COc1cccc2ccc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)nc12 54360774 TYXGAPOJZYMDKY-BOPFTXTBSA-N 394.477 4.355 10 40 GICB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(I)cc1 167482922 CMZGHMCNDHKLTB-LFIBNONCSA-N 388.208 4.097 10 40 GICB COc1ccc(OC)c(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c1 408971705 PLEILRMEVIEDFG-PTNGSMBKSA-N 376.334 4.052 10 40 GICB CN(C)c1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 3878154 QFVDKARCPMTZCS-UHFFFAOYSA-N 389.543 4.169 10 40 GICB in-vitro COc1ccc2c(/C=C3/SC(=S)N(c4ccc(O)cc4)C3=O)c[nH]c2c1 9419972 LOZOOALSMZHYEU-CAOOACKPSA-N 382.466 4.288 10 40 GICB COc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccc(O)cc4)C3=O)c2c1 13653693 DXTBZQLGYZCRRL-IUXPMGMMSA-N 382.466 4.288 10 40 GICB CN(O)/N=N\c1c(Br)cc(Br)cc1Br 104188063 LPOMRLFCWIGQTP-QXMHVHEDSA-N 387.857 4.294 10 40 GICB O=C1C(=Cc2ccccc2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 970351 YOPDFCCCGUXSFW-UHFFFAOYSA-N 384.460 4.435 10 40 GICB O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1 1298818 ICDCQPCOQOOGEQ-GHRIWEEISA-N 398.509 4.012 10 40 GICB Cc1cc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c(C)n1-c1ccccc1 4297243 BDKRZJMYYAZBSR-DFNIBXOVSA-N 393.483 4.215 10 40 GICB CC(C)(C)C1=NN(c2ccccc2)C(=O)/C1=C\c1cc2c(cc1[N+](=O)[O-])OCO2 35618624 MOPANHYPMJRJEN-DHDCSXOGSA-N 393.399 4.156 10 40 GICB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc(Cl)c(C(=O)O)c1 95481260 CGQYMRQYYWTAHV-LICLKQGHSA-N 383.835 4.374 10 40 GICB CCOC(=O)c1ccc(C)c(NC(=S)NCCN(CC)c2ccc(C)cc2)c1 225793897 JCWALJJZBSKQAU-UHFFFAOYSA-N 399.560 4.293 10 40 GICB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1O 409023190 XPGKSELTBUNFFC-YBEGLDIGSA-N 383.831 4.231 10 40 GICB COc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1[N+](=O)[O-] 409342329 DFYLMAMPFRYDST-YBEGLDIGSA-N 386.454 4.318 10 40 GICB CCc1ccc(-c2ccc(/C=C3\SC(=S)N(CCC(=O)O)C3=O)o2)cc1 13592248 AZJPAUWKAATDQV-WJDWOHSUSA-N 387.482 4.185 10 40 GICB CCOc1cccc(CN(Cc2cccnc2)C2CC(C)(C)NC(C)(C)C2)c1O 13992670 VYRAYTMXGGJKAE-UHFFFAOYSA-N 397.563 4.497 10 40 GICB C[C@@H](NC(=O)c1ccccc1Cn1cccn1)c1ccc(N2CCCCC2)cc1 19719179 GJBPXUDILQYULY-LJQANCHMSA-N 388.515 4.413 10 40 GICB O=C(c1ccccc1)c1ccccc1NS(=O)(=O)c1cccc2cccnc12 28225937 PTYQLFWFXFEFGV-UHFFFAOYSA-N 388.448 4.267 10 40 GICB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(Br)cc2)SC1=S 409205677 JKHXTAZDWGASQB-NTEUORMPSA-N 393.331 4.405 10 40 GICB Cc1ccc(N2NC(=O)/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1Cl 5173452 ZGESILJGVOPOPY-MLPAPPSSSA-N 381.646 4.417 10 40 GICB O=C1N=C(O)/C(=C/c2ccc(N3CCCCCC3)o2)C(=O)N1c1ccc(F)cc1 9164622 DOYDRXLMKKPMGF-LGMDPLHJSA-N 397.406 4.306 10 40 GICB CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccccc3Cl)cc2)SC1=S 59502973 YLDIZNPSNNXGIZ-XNTDXEJSSA-N 389.885 4.390 10 40 GICB CCOc1cc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)ccc1O 35040808 YNXRIEVRXYUORE-VCHYOVAHSA-N 399.493 4.399 10 40 GICB CCOC(=O)CN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cc3)c2C)C1=O 106743192 OVEHNUBHKAMFEO-WQRHYEAKSA-N 398.484 4.002 10 40 GICB O=C(O)CCCN1C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)SC1=S 6057506 RRNYHJWXPWDACZ-XFFZJAGNSA-N 376.286 4.059 10 40 GICB COC(=O)c1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)c1 27644791 TYOWEIPLPUPQIN-HXUWFJFHSA-N 385.423 4.324 10 40 GICB CN1C(=O)/C(=C/c2c(-c3ccccc3)nc3sc(C4CC4)nn23)SC1=S 41074256 FFOSMBKTMLAGQE-LCYFTJDESA-N 398.538 4.166 10 40 GICB O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(Cl)cc1 4263484 SRIWDNBKCXJVNO-GXDHUFHOSA-N 392.889 4.163 10 40 GICB COc1ccc2nc(/C=C3/SC(=S)N(c4cccc(O)c4)C3=O)ccc2c1 9419860 LDYNTJUVSTUQBO-VCHYOVAHSA-N 394.477 4.355 10 40 GICB COc1ccc2cc(CNC(=O)N(C)Cc3ccc(N(C)C)cc3)ccc2c1 10262937 AUCIPFHWVMNDRA-UHFFFAOYSA-N 377.488 4.256 10 40 GICB COc1ccccc1N1C(=O)/C(=C\c2ccc3nccnc3c2)SC1=S 13721726 DOCGQKVLNHUNNY-GZTJUZNOSA-N 379.466 4.044 10 40 GICB Cc1cc(/C=C2/C(=O)N(C)C(=O)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 59138707 NLWPRSKETUDWGA-QNGOZBTKSA-N 399.450 4.103 10 40 GICB CCN(CCCNC(=S)Nc1cc(C(=O)OC)ccc1C)c1ccc(C)cc1 225733723 LUKGQGWHNUGUBM-UHFFFAOYSA-N 399.560 4.293 10 40 GICB Cc1cc(C(=O)COC(=O)c2cccc(F)c2)c(C)n1-c1ccc2c(c1)OCO2 3405154 HKYWTWUHNDXGKL-UHFFFAOYSA-N 395.386 4.002 10 40 GICB CCOC(=O)c1cccc2c1N[C@H](c1ccc(C(=O)OC)cc1)[C@@H]1CC=C[C@@H]21 13389252 PHGUIQBXOQJKPJ-MBOZVWFJSA-N 377.440 4.476 10 40 GICB C[C@@H](Sc1nccs1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 52913959 QBAQIKNSBZAUQS-SSDOTTSWSA-N 377.369 4.189 10 40 GICB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 217946593 HWEAMSGSQHEXNZ-GOSISDBHSA-N 382.504 4.188 10 40 GICB Ic1cc2c3c(c1)[C@@H]1C=CC[C@@H]1CN3C[C@H]1CC=C[C@@H]21 409335993 ZMAYSCPWRLHCTG-QHSBEEBCSA-N 375.253 4.444 10 40 GICB Cc1cccc(N2CCN(C3=NC(=O)/C(=C/c4ccc(Cl)cc4)S3)CC2)c1 1471429 YPDLLAHKONUJJX-RGEXLXHISA-N 397.931 4.441 10 40 GICB COc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2c2ccccc2)cc1 2281117 YDHJROFWFHVQKV-DEDYPNTBSA-N 398.418 4.258 10 40 GICB COc1ccc2ccc(O)c(CN(C)Cc3ccc(N4CCOCC4)cc3)c2c1 7317532 FTJRQDIEAWGBBM-UHFFFAOYSA-N 392.499 4.023 10 40 GICB O=C1/C(=C/c2ccccc2Br)SC(=S)N1Cc1ccco1 9188442 VZEDTVRUMUWFOM-JYRVWZFOSA-N 380.288 4.444 10 40 GICB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)o1 39127313 BQRWMOHZIUVZMH-QINSGFPZSA-N 377.366 4.474 10 40 GICB CCn1c(-c2ccc(OC)cc2)cnc1SCC(=O)N1CCc2ccccc21 44085615 WLDZBNXQZKUFAO-UHFFFAOYSA-N 393.512 4.260 10 40 GICB Cc1ccc(/C=C/C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)s1 69577286 NFWQOUBALLANOI-SJFMBGHLSA-N 384.545 4.344 10 40 GICB COc1ccc2ccc(O)c(CN3CCCc4cc(C(=O)N(C)C)ccc43)c2c1 83847531 JUULQGRZJSJGAT-UHFFFAOYSA-N 390.483 4.209 10 40 GICB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(N3CCCC3)c(F)c2)S1 222593267 UBXFJOUWZFLNCY-XMCHAPAWSA-N 382.508 4.410 10 40 GICB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(N(C)C)cc3)NC(=O)CCN21 2112206 KUKMKNWWKPVPMV-CDIAOGBUSA-N 389.543 4.342 10 40 GICB biogenic Cc1ccc(CN2C(=O)S/C(=C\c3ccc(N4CCOCC4)cc3)C2=O)cc1 4675404 ZMNHEMTURZWWFV-ZHZULCJRSA-N 394.496 4.068 10 40 GICB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C(=O)O)cc3)N=C2C)cc1 5655932 ZBTVLEFOQBYUSL-ZHZULCJRSA-N 377.444 4.037 10 40 GICB CC(=O)Nc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 27530354 VGVANWKMUFWGHV-LDADJPATSA-N 397.525 4.117 10 40 GICB Cc1cccc2[nH]cc(C3=CCN(c4nc5sccn5c4[N+](=O)[O-])CC3)c12 40139293 ZDLZSNQJLSRTOY-UHFFFAOYSA-N 379.445 4.387 10 40 GICB Cc1ccccc1-n1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222737161 JCJHHDSWIRAYNZ-SFTDATJTSA-N 376.529 4.400 10 40 GICB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccccc1C(F)(F)F 408797515 SABVXPMABOARBY-GDNBJRDFSA-N 381.394 4.424 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cc2)c1C 408984535 IDHMZJBBMBDYET-BKUYFWCQSA-N 392.499 4.484 10 40 GICB CCOc1ccccc1N1C(=O)N=C(O)/C(=C\c2cn(C)c3ccccc23)C1=O 8914736 FTYATABXIAMONV-FOWTUZBSSA-N 389.411 4.084 10 40 GICB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C(=O)c2ccccc2)cc1C 225109380 GNJMFGVUCVLMLJ-UHFFFAOYSA-N 395.480 4.344 10 40 GICB Cn1c(-c2ccccc2)cnc1SCC(=O)c1ccc2c(c1)OCCCO2 7210787 YTHGVJSZVBEBNZ-UHFFFAOYSA-N 380.469 4.223 10 40 GICB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1c1ccc2c(c1)OCO2 54360775 BMAKBGHEGRCYTB-LSCVHKIXSA-N 395.461 4.140 10 40 GICB COC(=O)C1=C(C)N(C(C)C)C(=O)/C1=C\c1cc(C)n(-c2ccccc2C)c1C 409061632 YTQXVLQUVBPEMS-MOSHPQCFSA-N 392.499 4.484 10 40 GICB Cc1cccc(N2C(=O)N=C(O)/C(=C/c3ccc(N4CCCC4)c(C)c3)C2=O)c1 59104980 GPJUZNKZXKRBRA-RGEXLXHISA-N 389.455 4.410 10 40 GICB CCc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)o3)C(O)=NC2=S)cc1 59138558 SXSWFXOXIRNHNZ-GHRIWEEISA-N 395.484 4.114 10 40 GICB C/C(Nc1ccccn1)=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 103920617 VPLAZSLKLAXTDP-HKWRFOASSA-N 399.410 4.127 10 40 GICB O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccc1Cl 1268790 IGYIYNGNIZBUGG-JYRVWZFOSA-N 394.930 4.241 10 40 GICB CC(/C=C1\SC(=S)N(c2ccc(O)c(C(=O)O)c2)C1=O)=C\c1ccccc1 4745772 YJCMPCLQZMCHGD-YZXVBUGESA-N 397.477 4.443 10 40 GICB CCN1C(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)c(OC)c2)SC1=S 4838771 JYRISJDZXKSIOQ-ATVHPVEESA-N 399.493 4.136 10 40 GICB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccc(O)cc1 6307882 DTRZDUCXLAOPNK-ZHZULCJRSA-N 385.419 4.423 10 40 GICB O=C1NC(=S)N(c2cccc3ccccc23)C(=O)/C1=C\c1c[nH]c2ccccc12 19797733 GNMYBBZJYXAFKU-PDGQHHTCSA-N 397.459 4.152 10 40 GICB biogenic N=C1/C(=C/c2ccco2)C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN12 33457495 ABDGPYIQRSDXEF-GIOQYDBOSA-N 380.473 4.115 10 40 GICB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1c(O)ccc2ccccc12 38178688 RTVAGDUYMIQKKW-UYRXBGFRSA-N 377.440 4.161 10 40 GICB Cc1cc(C(=O)CO[C@@H](C)Cc2ncc[nH]2)c(C)n1-c1ccc(F)c(Cl)c1 89578081 ZOJWMCRVSLKTGJ-ZDUSSCGKSA-N 389.858 4.440 10 40 GICB O=C1/C(=C\c2c[nH]c3ccccc23)C(O)=NC(=S)N1c1ccc(Cl)cc1 1817241 MCOMUILIYNUSSF-DHDCSXOGSA-N 381.844 4.493 10 40 GICB CCOc1ccccc1NC(=O)COC(=O)c1ccc(-n2c(C)ccc2C)cc1 4541596 UYLAVOQQIKQLEU-UHFFFAOYSA-N 392.455 4.288 10 40 GICB COc1ccccc1N1C(=O)/C(=C/c2cnc3ccccc3n2)SC1=S 54361186 MYUMOXWFMBEJPM-YVLHZVERSA-N 379.466 4.044 10 40 GICB Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 3384185 PRGGHDJEEKUUPM-UHFFFAOYSA-N 397.452 4.232 10 40 GICB CCN(CC)Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 4353799 MRTICTQWPUDWTI-UHFFFAOYSA-N 391.423 4.114 10 40 GICB biogenic CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)C(=O)N=C2S1 5489825 VKMOCPPDUUUAPO-YNQUSLBMSA-N 391.500 4.350 10 40 GICB COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc(OC)c1OC 12625247 UOLABPWWTVGMJX-WJDWOHSUSA-N 387.482 4.118 10 40 GICB CCCN/C(C)=C1/C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1 100680934 SUXDDDFTKQAJDT-NBVRZTHBSA-N 376.485 4.321 10 40 GICB COc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1 101128670 IFNGGZGCIVIIGT-LFIBNONCSA-N 378.457 4.332 10 40 GICB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cn1 225671889 VAKOSJLHQHKSLV-CVEARBPZSA-N 384.549 4.374 10 40 GICB COc1ccc(/C=C2/SC(=S)NC2=O)cc1COc1ccc(F)cc1F 1019050 HZUBJZJUTLPSPC-FRKPEAEDSA-N 393.436 4.041 10 40 GICB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225598346 TYIATXWQLJPKLJ-WBVHZDCISA-N 390.524 4.410 10 40 GICB COC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225695773 YHIANWQGEJNNCH-OAHLLOKOSA-N 383.517 4.121 10 40 GICB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260466522 TZOFTBAJPOCNAW-DLBZAZTESA-N 382.504 4.431 10 40 GICB CCn1c(-c2ccc(F)cc2)cnc1SCC(=O)N1CCc2ccccc21 1355505 UKPVUEYVYRDZKH-UHFFFAOYSA-N 381.476 4.391 10 40 GICB COc1ccc(/C=C2\C(=N)N3C(=NC2=O)Sc2cc(C)c(C)cc23)cc1OC 5375076 BPDIESJXKSVSJX-JJJRJNQISA-N 393.468 4.190 10 40 GICB Cc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c(C)n1-c1ccc(Cl)cc1 9234365 QXZPRFRAIIKUQF-DEDYPNTBSA-N 391.858 4.209 10 40 GICB O=C(CCNc1ncccn1)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48360810 ZFDSNTXAKGYORK-HSZRJFAPSA-N 398.466 4.043 10 40 GICB CCN(CC)c1ccc(CNC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1 225248105 SJBSKPYCSHXXFU-UHFFFAOYSA-N 397.538 4.200 10 40 GICB COc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)c1O 100142777 AFIMKDMXCGUCLY-NVXWUHKLSA-N 392.503 4.003 10 40 GICB COc1ccc(OC)c(-c2c(C)c3ccc(O)c(CN4CCCC4)c3oc2=O)c1 4084670 IUWSBDNLAWVPPZ-UHFFFAOYSA-N 395.455 4.087 10 40 GICB biogenic CC1=NN(c2c(F)c(F)c(F)c(F)c2F)C(=O)/C1=C/c1ccc(N(C)C)cc1 4600991 GHNAZCDKLWXBPU-XYOKQWHBSA-N 395.331 4.254 10 40 GICB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccccc3O)=NN12 10213932 OCAANAWYZOAYKV-FQEVSTJZSA-N 377.488 4.136 10 40 GICB CC(C)OC(=O)CCCCCN1C(=O)/C(=C/Nc2ccccc2)SC1=S 18286594 YLPMSZHNMMZTCY-SSZFMOIBSA-N 392.546 4.312 10 40 GICB O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1ccccc1O 1298816 RAMDEYBXJWGGCT-LGMDPLHJSA-N 398.509 4.012 10 40 GICB N=C1/C(=C/c2ccc(O)c(O)c2)C(=O)N=C2SC(CCC3CCCCC3)=NN12 5255208 AMMIENWZBRACBY-CTLFBJNRSA-N 398.488 4.077 10 40 GICB CN1CCc2cc([C@@H](CNC(=O)c3ccc(Cl)cc3)N3CCCCC3)ccc21 13007673 WACJVAOQWCWOSS-JOCHJYFZSA-N 397.950 4.289 10 40 GICB CC(C)n1cc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c2ccccc21 15013017 GIJIUZXEJBQRQF-WQRHYEAKSA-N 391.402 4.028 10 40 GICB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(-c2ncccc2C)c1C 222793435 MYCDXOBMPNJDJD-VQTJNVASSA-N 391.544 4.185 10 40 GICB CC[C@H]1CCCCN1C(=O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S 5370753 RSLNWKWZIIRYLC-BXWAGETQSA-N 392.546 4.052 10 40 GICB COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cc(C)oc3C)c2C)cc1 6830964 DRKDENMOVITVHX-UHFFFAOYSA-N 381.428 4.352 10 40 GICB CC1CCN(C2=NN3C(=N)/C(=C/c4ccc(C(C)C)cc4)C(=O)N=C3S2)CC1 41084660 FGHFSARICHERHV-SABKFZPKSA-N 395.532 4.119 10 40 GICB COc1ccc(N/C(C)=C2\C(=O)N(c3nc4ccccc4s3)N=C2C)cc1 103917358 JDABYUJQFGWNLN-PDGQHHTCSA-N 378.457 4.414 10 40 GICB Nc1ccc(C(=O)Nc2ccc(/N=N\c3ccc(S(=O)(=O)O)cc3)cc2)cc1 104366834 OCDSIKWPKIWLSG-FCQUAONHSA-N 396.428 4.183 10 40 GICB O=C(O)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1O 4745763 JCCCMMZGJQSUKG-QSJINSDNSA-N 383.450 4.052 10 40 GICB CN(C)c1ccc([C@H](CNC(=O)c2cc(Cl)ccc2Cl)N(C)C)cc1 5097737 IATCGPKSXKVSSK-SFHVURJKSA-N 380.319 4.092 10 40 GICB COc1ccc(OC)c(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1 13715204 HLOJATBPQCIBJA-YBEGLDIGSA-N 375.446 4.249 10 40 GICB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 35040889 YYOYUEGHWORIHC-WOJGMQOQSA-N 382.510 4.361 10 40 GICB Cc1cc(C)n(-c2ccccc2NC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 40104889 MQVHJYLOHVQDGK-UHFFFAOYSA-N 377.492 4.219 10 40 GICB Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C2=O)c1 208668426 XVIYALUYHCTETA-STZFKDTASA-N 399.450 4.069 10 40 GICB O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c(Cl)cccc1Cl 408780154 UABIHYHXYOAIQK-XYOKQWHBSA-N 395.629 4.313 10 40 GICB COc1ccccc1/C=C1/C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C 409036362 VUZFZVKHNUDRKH-JXMROGBWSA-N 382.288 4.197 10 40 GICB CN1C(=O)/C(=C\c2ccc(C(=O)N3CCCc4ccccc43)cc2)SC1=S 5374810 QEEXLEPVGZUDTL-QGOAFFKASA-N 394.521 4.111 10 40 GICB CSCC[C@H](C(=O)O)N1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S 8202302 SQXQQDPJICIETD-PQVJKVHKSA-N 393.555 4.040 10 40 GICB COc1ccc(N2CCN(C(=O)CCc3c(Cl)cccc3Cl)CC2)cc1 225348496 ONGKBUJAUPWWKU-UHFFFAOYSA-N 393.314 4.283 10 40 GICB C[C@@H](NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(N2CCCCC2)cc1 225664465 IKUANNYOTBAMKI-MRXNPFEDSA-N 397.544 4.496 10 40 GICB CCCCc1ccc(NC2=NC(=O)/C(=C3/C(=O)Nc4ccccc43)S2)cc1 5373291 GGGBBXDHMWHQTF-ZCXUNETKSA-N 377.469 4.434 10 40 GICB CC[C@@H](C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2c(F)cccc2Cl)SC1=S 5374333 ZGBJEPYGRLQJMX-UZYWNZJBSA-N 387.885 4.180 10 40 GICB O=C1NC(=S)S/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 6258424 HAGOGMOKWIBMBL-ZROIWOOFSA-N 375.858 4.048 10 40 GICB Cc1cc(/C=C2\C(=N)N3N=C(C(C)C)SC3=NC2=O)c(C)n1-c1ccccc1 4663615 KPVBFKMOHYGSGJ-WBIXSPHCSA-N 391.500 4.369 10 40 GICB COc1cccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)c1OC 5371341 KJXRJGMFJVFMEE-BOPFTXTBSA-N 399.493 4.312 10 40 GICB Cc1cnc(-c2nc(C3CCN(Cc4cc(C(C)C)ccc4O)CC3)no2)cn1 12187359 YAMQNWNEMJMKPJ-UHFFFAOYSA-N 393.491 4.044 10 40 GICB Cc1cccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)N2c2ccc(O)cc2)c1 408753994 IFHALUQXVNPYOX-KGENOOAVSA-N 398.418 4.233 10 40 GICB Cc1ccccc1NC(=O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S 1268817 PAPJCGIRHOMPJY-KHFJBXOGSA-N 394.521 4.391 10 40 GICB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1cccc(OC)c1 103917541 XNFQTZBRMKHIQN-QNGOZBTKSA-N 381.451 4.401 10 40 GICB COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1N1CCCC1 222595915 OQRHWIDRFFMJAW-IWMITWMQSA-N 394.544 4.280 10 40 GICB COc1cc(OC)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 229885348 HLPFWSVVQWOJLB-SXGZJXTBSA-N 382.416 4.447 10 40 GICB CCN(CC)c1ccc(/C=C2/C(=O)N(Cc3ccc(F)cc3)C(=O)N=C2O)cc1 1844210 TYSRUIWDQVTNFS-CPNJWEJPSA-N 395.434 4.174 10 40 GICB Cc1cc(C(=O)COc2nncc3ccccc23)c(C)n1-c1ccccc1F 3323381 SFUYEMHGKRMJDM-UHFFFAOYSA-N 375.403 4.438 10 40 GICB Cn1c(-c2ccccc2)cnc1SCCS(=O)(=O)c1ccc(Cl)cc1 32865429 UNBIFGPUJDGVNA-UHFFFAOYSA-N 392.933 4.307 10 40 GICB