smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br 137748618 KZRDDGGREUNDMV-PAPYEOQZSA-N 331.250 3.358 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4cccc(Br)c4[nH]3)ccc21 586908072 QDYXNFVSDCWHPI-UHFFFAOYSA-N 343.136 3.303 50 1 EGGF COc1cc(O)c(C(=O)/C=C/c2cccc(OC)c2OO)c(OC)c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c1ccc(/C=C(/C#N)c2nc3nc(Br)c[nH]c-3n2)cc1 587187881 MHYROETXVWMUDQ-WDZFZDKYSA-N 340.184 3.440 50 1 EGGF CCOc1ccc(/C=N\NC(=O)c2cc3c(OC)cccc3[nH]2)cc1 33350444 CUIURBWCRSELQX-NDENLUEZSA-N 337.379 3.339 50 1 EGGF O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1Cl 5838466 PEIGGLUKUOJXLG-CVEARBPZSA-N 349.217 3.105 50 1 EGGF CC(NNC(=O)C(c1ccccc1)c1ccccc1)=C1C=CC(=O)C=C1 13126205 OJZBZCIYPDXEMG-UHFFFAOYSA-N 344.414 3.408 50 3 EGGF CC1(C)C=C([C@H](Cl)CBr)[C@@H](O)C[C@H]1Br 85951726 LDCWMHKUXSPDGS-HRDYMLBCSA-N 346.490 3.469 50 1 EGGF CC(C)c1ccc([C@@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc1 20238207 CYZKTNRBHHYWTP-HNNXBMFYSA-N 327.453 3.455 50 3 EGGF aggregator C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)[C@@H](C)CC)=CC[C@H]12 2356380397 DLWCLJQUSIBFQH-MORSLUCNSA-N 346.423 3.299 50 1 EGGF C#CC=C[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2Cl 2356800811 QHSXRNNSCRZFCI-ZSOGLFGHSA-N 333.653 3.272 50 1 EGGF CCOc1ccc([C@@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 49113033 JSKIICULUKHVJU-ROUUACIJSA-N 348.406 3.275 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195284762 BAJSYLWSYBXRPS-KVBVCBKMSA-N 326.433 3.009 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)C(C)=CC)[C@@H]12 2356424257 LLFFQXOEXCHHKX-SQNIBIBYSA-N 344.407 3.218 50 1 EGGF [C-]#[N+][C@H]1C(C)=NC(C(F)F)=C(C#N)[C@H]1c1cc2c(N)nccc2o1 169698724 IGOZHMVYVXYCSV-STQMWFEESA-N 327.294 3.299 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](CBr)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106263 ICJKLGDDPGNBBS-GRUOELOHSA-N 347.249 3.243 50 1 EGGF Cc1ccc(C2OOC(c3ccc(/C=N\CCO)cc3)OO2)cc1 101651518 QCAZLUWFCDTBGK-UNOMPAQXSA-N 329.352 3.014 50 1 EGGF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(N)=O)CC[C@@H]12 2356732311 AIMQMSBWBNRJGW-KJXREMBBSA-N 347.503 3.414 50 1 EGGF CC(=O)O[C@@H]1C=C(C)CCC=C(C=O)C[C@@H](OC(C)=O)[C@H]1C(C)C 2356650530 IVPDEPJTXZGQDQ-QRVBRYPASA-N 336.428 3.378 50 1 EGGF Cc1cc([C@@]2(CCl)c3nn(C)cc3CCN2C)c(C)n1C(C)C 963956301 VRXYMEMNYGJKHB-SFHVURJKSA-N 334.895 3.390 50 1 EGGF O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 40953279 YPJOCOJIDCUMRT-LWYUSKRHSA-N 337.423 3.009 50 1 EGGF CC[C@]1([C@@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587498585 OSQRCNZJFPPZAF-FUHWJXTLSA-N 336.815 3.460 50 1 EGGF CCCC[C@]1(OC)OOC(C)(C)C[C@H]1CNCCCn1ccnc1 1857546437 PWCOZJCWSXMSOC-WMZOPIPTSA-N 339.480 3.142 50 1 EGGF CC(C=O)=Cc1cc(O)c(O)c(Br)c1Br 2356471581 RVHAGJMRVKDMPS-UHFFFAOYSA-N 335.979 3.225 50 1 EGGF C=C(C)C(=O)O[C@@H]1/C=C(\C)CC[C@H](OO)C(=C)C[C@@H]2OC(=O)C(=C)[C@H]21 238762959 ZKQWDJFVKBUBDS-XKGWBLHKSA-N 348.395 3.117 50 1 EGGF COc1cc2c(cc1OC)C1(CC(Br)C1)N(C)[C@H](C)C2 962628064 OAFVXQSCCNGROX-WCVRRQIGSA-N 340.261 3.333 50 1 EGGF CC1(C)[C@@H](Cl)C(=CCBr)[C@H](O)C[C@H]1Br 2356786244 ZMWOJCNCDIDVAM-HLTSFMKQSA-N 346.490 3.469 50 1 EGGF Cc1ccc(/C=N/NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)cc1 1857635675 MIKINAOGEYJFBN-ZVBGSRNCSA-N 339.782 3.254 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)nn(CCCl)c1C)O2 587376282 RIZVTNQIODLBLP-OAHLLOKOSA-N 333.819 3.336 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4cccc(OC(F)(F)F)c4[nH]3)ccc21 586909652 ZVVQQJSSQSQFDA-UHFFFAOYSA-N 348.236 3.439 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C(F)F)CC[C@@H]([C@H]1C)[C@@]42OO3 169371388 XAPFARHSBSKKAM-MAOYCQLGSA-N 348.386 3.476 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)C=C(C)C)[C@@H]12 2356484335 QJGMYCJDXVYSEU-LMMKCTJWSA-N 344.407 3.218 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586971213 OOCLRVGRVFQKLB-MNOVXSKESA-N 341.209 3.148 50 1 EGGF O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccccc1 1772608514 CMTUJBYXVJOHMD-VXLYETTFSA-N 326.739 3.210 50 1 EGGF N#C/C(=C\c1ccc([N+](=O)[O-])s1)c1n[nH]c(Cc2ccccc2)n1 38144716 FYFPLLFZVJBEJQ-FMIVXFBMSA-N 337.364 3.429 50 1 EGGF Cc1ccc(/C=C(/C#N)c2nc3c(S)nc(S)nc3[nH]2)cc1 587187326 DUFSJZDTHPOGIY-POHAHGRESA-N 325.422 3.303 50 1 EGGF NNC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175691 YKXZCPCAJUURNR-UHFFFAOYSA-N 343.749 3.107 50 1 EGGF Cc1cc2c(cc1F)[C@](C1CC1)([C@@H](Cl)C(=O)C(F)F)NCC2 962148693 UIOJYWNLBLENTF-GOEBONIOSA-N 331.765 3.327 50 1 EGGF CCCCCO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl 205339087 GJWYIBCUPMZGSZ-YUNKPMOVSA-N 347.223 3.417 50 1 EGGF CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1 95808580 QTKLSJLNFBDNAI-ONDHQXCVSA-N 331.416 3.294 50 1 EGGF CC(=O)C[C@H]1O[C@@H]([C@](C)(O)/C=C/C=O)[C@@H]2[C@@H](C(C)C)CC=C(C)[C@H]12 198886182 WOPYCONSOPPLRW-LTUUUZNLSA-N 334.456 3.094 50 1 EGGF O=C(N/N=C/CCC/C=N/NC(=O)c1cccs1)c1ccccc1 1857765689 QKQFKUIGBOZSJK-GDAWTGGTSA-N 342.424 3.050 50 1 EGGF CC(C)(F)[C@H](Br)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587087962 ZXDZKHJZILVPEW-SNVBAGLBSA-N 349.225 3.151 50 1 EGGF C/C(=N\NC(=O)COc1ccccc1)c1ccc(-n2cccc2)cc1 103224082 SAZWVUDDBUZIMG-LTGZKZEYSA-N 333.391 3.397 50 1 EGGF CCCN(C[C@H](C)Br)[C@@H]1CCc2cc(O)c(O)cc2C1 29555813 IABOSHQOQBDMBE-SMDDNHRTSA-N 342.277 3.451 50 1 EGGF C/C(=N\NC(=O)COc1cccc2cccnc12)c1cccs1 66251706 JJICMOXAFPZUSC-XDHOZWIPSA-N 325.393 3.216 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1 586971322 PSWFWDNRZCUJOO-LBPRGKRZSA-N 333.189 3.167 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@@H]3C[C@@H](C(C=O)=CC(=O)O)O[C@@]3(C)CC(=O)[C@H]12 2356451443 GLCXBBOBVBMFPK-QHOFPYNOSA-N 348.439 3.166 50 1 EGGF C#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 42924153 ISZIRXMFUSQQOS-NDXORKPFSA-N 330.387 3.040 50 1 EGGF N[P@](=O)(OCc1ccc(F)cc1F)N(CCCl)CCCl 27648490 ALKRPRUKSFHKAM-FQEVSTJZSA-N 347.129 3.328 50 1 EGGF Cc1ccc(F)c(NC(=O)NCCSSCCN(C)C)c1 618007805 QPJLWISPSJMGMK-UHFFFAOYSA-N 331.482 3.199 50 1 EGGF COc1ccc(/C=N\NC(=O)c2ccc3ncccc3c2)cc1OC 1857580559 GSOQNMBOBLOLMF-MTJSOVHGSA-N 335.363 3.016 50 1 EGGF CC1(C)CCC[C@]2(C)[C@@H]1C(=O)C[C@]1(C)O[C@H](C(C=O)=CC(=O)O)C[C@@H]12 2356451442 GLCXBBOBVBMFPK-KXOXPVICSA-N 348.439 3.166 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 85889824 LLFFQXOEXCHHKX-MVUHXENFSA-N 344.407 3.218 50 1 EGGF in-man NNC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085743 FCVZIIJOWWQWJX-UHFFFAOYSA-N 337.770 3.035 50 1 EGGF Cc1ccccc1NCC(=O)N/N=C/c1c(Cl)cncc1Cl 201288612 DJEWXRRXZIDZPP-CGOBSMCZSA-N 337.210 3.259 50 1 EGGF O=C(N/N=C/c1cccc(O)c1)c1cc2c(cn1)[nH]c1ccccc12 1857637776 CBTJOOYWKOBRNZ-UFFVCSGVSA-N 330.347 3.186 50 1 EGGF CC(=O)c1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)cc2)cc1 43075957 AODUUZPBEIEIMK-QZQOTICOSA-N 340.383 3.478 50 1 EGGF CCC[C@H](O)CC=C(Cl)C(=O)C(Br)Br 2356428525 OMEJWTQRUZYRCZ-LURJTMIESA-N 348.462 3.345 50 1 EGGF CC(=O)O[C@H]1CC(C(=O)O)=CCC[C@@](C)(OO)C=CC(C)(C)C1 2356469406 LYHUJTYIUUDDLM-WMLDXEAASA-N 326.389 3.334 50 1 EGGF O=C(C(Br)=CBr)[C@H](Cl)Br 2356538893 UQCVAWUJHGLVKU-BYPYZUCNSA-N 341.224 3.147 50 1 EGGF CN(C)CCSSCCn1cc(-c2ccc(F)cc2)nn1 618012678 WJSZZKHYIZWHAM-UHFFFAOYSA-N 326.466 3.027 50 1 EGGF C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccc2c(c1)OCO2 13113502 NJYGRFRKBOTJHP-MTJSOVHGSA-N 348.358 3.428 50 1 EGGF BrCc1nc2cccc(I)c2[nH]1 586972301 LPJZFONJZNADMS-UHFFFAOYSA-N 336.958 3.062 50 1 EGGF N#C/C(=C/c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 587187901 MSQFSFSBUFARAM-POHAHGRESA-N 326.157 3.131 50 1 EGGF CC[C@@]1([C@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587498583 OSQRCNZJFPPZAF-AEFFLSMTSA-N 336.815 3.460 50 1 EGGF CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(CO)cc1 38158738 BTZOVXWKSBJWMK-JAZQRGJZSA-N 348.439 3.337 50 1 EGGF CCC[C@H](O)C/C=C(\Cl)C(=O)C(Br)Br 85951709 OMEJWTQRUZYRCZ-ZHURGCMGSA-N 348.462 3.345 50 1 EGGF CCOc1ccc([C@@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 49113035 JSKIICULUKHVJU-ZWKOTPCHSA-N 348.406 3.275 50 1 EGGF CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1ccc(C(=O)NO)cc1 95808398 QTKLSJLNFBDNAI-BXUJETTOSA-N 331.416 3.294 50 1 EGGF Clc1c(Br)cnc2[nH]c(CBr)nc12 586971118 LZMOGGTZTAPXRQ-UHFFFAOYSA-N 325.391 3.269 50 1 EGGF CN1C(=O)CN(CCCCCCCl)c2ccc([N+](=O)[O-])cc21 36470692 HHGIIEYGTNACOC-UHFFFAOYSA-N 325.796 3.177 50 1 EGGF CCS/C(Nc1ccccc1)=C(\C#N)C(=O)N/N=C\c1ccco1 1857751039 ITXMOZCONKJMOY-BGTGPSNFSA-N 340.408 3.330 50 1 EGGF CC(C)[C@]12C=C3CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@]3(CC1)OO2 1857754503 HMMKAZVPTLXPHU-AXGBLAMUSA-N 336.472 3.372 50 1 EGGF CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C(=O)O)CC1 14497166 ALNWABXUYKIYJF-DBVUQKKJSA-N 330.424 3.420 50 1 EGGF biogenic COC(C)(C)[C@H](Br)c1nc2cccc(C(=O)O)c2[nH]1 586971245 PCSLPJHKESTENF-SNVBAGLBSA-N 327.178 3.122 50 1 EGGF CCCCCc1cc2c(O)nc(O)nc2nc1CBr 587365681 GENURVNJJZXHRL-UHFFFAOYSA-N 326.194 3.064 50 1 EGGF N#CC(=C\c1[nH]c2ccccc2c1O)/C(N)=N/CCc1ccccc1 71928346 SWCVDJNHKYNLFM-NTCAYCPXSA-N 330.391 3.380 50 1 EGGF COc1ccc(/C=C(/C=O)c2cc(OC)c(OC)c(OC)c2)cc1 13780598 UNBUCIYWKBSAMV-DHDCSXOGSA-N 328.364 3.461 50 1 EGGF CO[C@@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2 43393655 XFIPHMGAKWWEAX-IQJOONFLSA-N 326.174 3.063 50 1 EGGF COc1ccc(OC)c([C@@]2(CCl)NCCc3ccc(O)cc32)c1 963340724 HQVHTSVXLFKLJJ-SFHVURJKSA-N 333.815 3.038 50 1 EGGF COC(=O)c1ccc(CC2CCC3(CC2)OOCCCOO3)cc1 44265243 QZUJGIRXCFUYMG-UHFFFAOYSA-N 336.384 3.202 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586970566 CKXXYZIHUGCSCU-JTQLQIEISA-N 345.168 3.261 50 1 EGGF CC(=CCO)CCC=C(C=O)CCC[C@H](C)C(=O)C[C@@H]1C[C@]1(C)O 2356657796 ULIUIAXZOFSSAK-HQRMLTQVSA-N 336.472 3.367 50 1 EGGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1ccccn1 963049166 ASPWJBLBEMWORC-LJQANCHMSA-N 339.826 3.267 50 1 EGGF CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@H]1Br 253667179 KZRDDGGREUNDMV-MYZSUADSSA-N 331.250 3.358 50 1 EGGF CC(C)(C)OC(=O)Nc1cccc(/C=N/NC(=O)c2ccccn2)c1 95808993 GYEOCXHTWYHYMR-UDWIEESQSA-N 340.383 3.193 50 1 EGGF C=C1C(=O)O[C@H]2C=C(C)CC=CC(C=O)=C(OC(=O)CCC)C[C@@H]12 2356699520 WQFIEBAASGBAFX-RDJZCZTQSA-N 330.380 3.177 50 1 EGGF C=C(C)[C@@H]1CC[C@@]23CO[C@@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@H]1[C@H]23 2356464407 INWRMBVWSPFLLR-BACYXOGJSA-N 328.408 3.497 50 1 EGGF CC(C)[C@@H](CCl)N(C)[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1O 96941776 BKXKNFGQPIAIET-HYVNUMGLSA-N 336.863 3.326 50 1 EGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@H]1Br 299807094 MAUPWGKFJDNIPY-XBURVNOZSA-N 348.212 3.465 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)ccc21 586907047 JMVAOLGZERDQPO-UHFFFAOYSA-N 336.200 3.097 50 1 EGGF C#CCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 206684837 IZNGCLLMGSEUFS-YRPRCUQKSA-N 336.428 3.234 50 1 EGGF O=c1[nH]c2ccccc2nc1N/N=C1\CCCC[C@H]1Br 45337090 BEWBCGLUXYIUDF-MPFKWURBSA-N 335.205 3.029 50 1 EGGF N#C/C(=C/c1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587187481 HXPQJWXAOYWWSX-PDGQHHTCSA-N 344.418 3.459 50 1 EGGF CC[C@@H](C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103278887 DXESLKPLXSFJJQ-RFZPGFLSSA-N 346.172 3.305 50 1 EGGF O=[N+]([O-])c1cccc(OCc2nnc(SCCCCl)o2)c1 82156012 DHRVDWGSMTWLGG-UHFFFAOYSA-N 329.765 3.278 50 1 EGGF C=C1C[C@@]2(C(=O)O)C[C@H]1CC[C@]2(C)[C@@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@H]12 2356387007 DNDDGKFGWMYCIM-SWDHLIRVSA-N 346.423 3.330 50 1 EGGF COc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1 209109423 WTLGNRJIDSWCCY-VXPUYCOJSA-O 332.383 3.457 50 1 EGGF CO[C@]12CCC[C@@H](C1)[C@@H](I)C(C)(C)OO2 100921511 XFIPHMGAKWWEAX-NGZCFLSTSA-N 326.174 3.063 50 1 EGGF BrCCCCc1nc2c(Br)ccnc2[nH]1 586972242 KTXXXKZOXJEYGG-UHFFFAOYSA-N 333.027 3.438 50 1 EGGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc(C(F)(F)F)cc1 1857755425 NAUJPIBJVVOAMO-DJKKODMXSA-N 337.257 3.378 50 1 EGGF CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2cccnc2)N1 6721322 IVSLKRDWKAAXHM-UHFFFAOYSA-N 334.223 3.092 50 1 EGGF O=C(Nc1cccc(OC(=O)C(Cl)Cl)c1)C(Cl)Cl 64479836 VUXLSXZAPATMGK-UHFFFAOYSA-N 330.982 3.138 50 1 EGGF Cc1cc2c(cc1O)[C@](C)(c1ccc(CCl)cc1)N[C@H](C(=O)O)C2 963510373 QEPVNCFKDNJEML-LPHOPBHVSA-N 345.826 3.302 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 103245126 BAJSYLWSYBXRPS-QOBNMGNYSA-N 326.433 3.009 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@@H]([C@@H]3C=C(C=O)C[C@H](O)O3)[C@]3(CC[C@H]12)CO3 13456995 AOWVFIQKQZUTKB-JLJUJHICSA-N 334.456 3.231 50 1 EGGF biogenic CC(C)C[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103278882 UQDFEAGJOHGARS-RXMQYKEDSA-N 346.172 3.305 50 1 EGGF NNC(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587970073 YGPWVCYNTYOZMP-LUAWRHEFSA-N 328.375 3.490 50 1 EGGF CC=C(C=O)[C@@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C1=CO 2356486873 HUJVAYKPOUYFBT-MAUKXSAKSA-N 336.391 3.201 50 1 EGGF COc1ccc(/C=C(/C#N)c2nnc(NC(=O)c3ccccc3)o2)cc1 82158250 WMHJQVQCBDYHKU-PTNGSMBKSA-N 346.346 3.395 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3CO[C@H](O)C3=CC[C@@H]12 2356458888 VWPMNNGYNDUDNN-MCZMQQNQSA-N 331.250 3.009 50 1 EGGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C(F)F)CC[C@@H]([C@H]1C)[C@@]24OO3 195298102 XAPFARHSBSKKAM-TZGNIMJESA-N 348.386 3.476 50 1 EGGF CCOc1ccccc1C(=O)NCCCSSCCN(C)C 618007711 FROMURLBCJRVMP-UHFFFAOYSA-N 342.530 3.148 50 1 EGGF C[C@H](Br)[C@@]1(C2CCC2)NCCc2nc3ccccn3c21 962987228 VIIUZZMJPOZMOT-ZBEGNZNMSA-N 334.261 3.259 50 1 EGGF C[C@@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 103020519 QNFBRAUABUUJFL-FQUUOJAGSA-N 327.174 3.453 50 1 EGGF C#CC=C[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@H]2Cl 2356800808 QHSXRNNSCRZFCI-IZMFDJJNSA-N 333.653 3.272 50 1 EGGF Cc1ccc(C(=O)N/N=C/c2cc(Cl)cc(Cl)c2O)c(O)c1 98082821 CFKCSCXVUVWCSD-CNHKJKLMSA-N 339.178 3.477 50 1 EGGF C[C@@H](Cl)C(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498502 OAFBEHQEHAUBIY-ZMZPIMSZSA-N 335.831 3.033 50 1 EGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2c1cc(C(=O)CCl)c[nH]1 963635384 MJBZJGHSUKYZLH-MLCYQJTMSA-N 348.830 3.077 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(C)cc41)[C@@H](C2)C3=O 587427658 DTRJTQQCAXLQFU-KKSFZXQISA-N 345.354 3.446 50 1 EGGF O=C(CCc1cccc(F)c1)N[C@@H](Cc1ccccc1)C(=O)CCl 26156598 GPZVIAOGQZEEDX-KRWDZBQOSA-N 347.817 3.294 50 1 EGGF CC1(C)OO[C@H]2O[C@@]3(C)CC[C@@H]4[C@](C)(N=C=S)CC[C@H]1[C@@]24O3 2356800277 PWRLKXBVXOTKON-HQJOIKQRSA-N 325.430 3.236 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)ccc21 586907026 IXNYVJOVHRDAGB-UHFFFAOYSA-N 334.665 3.472 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 586970886 HXSCOQPIECEFKY-LBPRGKRZSA-N 341.205 3.195 50 1 EGGF CC(C)(C)c1cccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1O 299829305 ZYAVKFHVOVHYQB-YBFXNURJSA-N 341.367 3.362 50 1 EGGF COc1ccccc1C(=O)N(NC(=O)c1ccccc1)C(C)(C)C 34332022 PUKQUTSJNLMGLT-UHFFFAOYSA-N 326.396 3.281 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C/N(C)C)CC2=O 587459105 MUAQFZMOIVJVIM-KSEUIEODSA-N 348.830 3.257 50 1 EGGF COc1ccc(Cl)cc1CC=NNC(=O)c1cccc(C)c1O 254071218 RMJMHKHCQKAPMI-UHFFFAOYSA-N 332.787 3.321 50 3 EGGF Cc1cccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)c1 27304338 KUJMMQQDVVBGGM-UHFFFAOYSA-N 327.771 3.456 50 1 EGGF O=C(CCCCl)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 1857560966 LMWMYPWAJUIULS-UHFFFAOYSA-N 326.765 3.071 50 1 EGGF CC(=O)O[C@H]1CC(C=O)=CCCC(C)=C[C@@H](OC(C)=O)[C@@H]1C(C)C 2356650531 IVPDEPJTXZGQDQ-QYZOEREBSA-N 336.428 3.378 50 1 EGGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1ccc(-n2cccc2)cc1 33673197 AWDWAQJMTYSXDR-CPNJWEJPSA-N 334.335 3.149 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 84654634 SOCQSUJQXRQAHG-AEFFLSMTSA-N 343.386 3.010 50 1 EGGF C[C@]12CC[C@@H]3[C@@H](CC[C@@]45O[C@@H]4C(O)=C(C#N)C[C@]35C)[C@@H]1CC[C@@H]2O 299872519 KVJXBPDAXMEYOA-VJELBLDXSA-N 329.440 3.467 50 1 EGGF CC(C)(F)[C@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587087857 XERZDPONZLOPPR-SECBINFHSA-N 327.157 3.329 50 1 EGGF O=S(=O)(c1ccc2nc([C@@H](Cl)CCl)[nH]c2c1)C(F)(F)F 587008929 SFMJQHOPWKLMEM-LURJTMIESA-N 347.145 3.375 50 1 EGGF C/C(C=O)=C\Cc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 59775994 ZJSBETNMBPEILM-VWGXWWAPSA-N 338.359 3.492 50 1 EGGF CC(C)(F)[C@@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587087976 ZXVGGBROSPXTHP-UWVGGRQHSA-N 329.173 3.471 50 1 EGGF C=C1C(=O)O[C@H]2CC(C=O)=CCCC(COC(=O)C=C(C)C)=CC[C@H]12 2356680438 IYNCTXVRKOBMAK-MSOLQXFVSA-N 344.407 3.219 50 1 EGGF CCOC(=O)c1c(C)[nH]c(/C(C)=N\NC(=O)c2cccs2)c1C 73067470 UHKWZLMQTHRZLK-WQRHYEAKSA-N 333.413 3.024 50 1 EGGF CN(C)CCSSCCC(=O)Nc1cc(Cl)ccc1O 618007704 MCCAFBPQFQNUFH-UHFFFAOYSA-N 334.894 3.317 50 1 EGGF CCCCCCCCCCCC(=O)NNC(=O)C[n+]1ccccc1 43323289 IPOXWVGZALDZHE-UHFFFAOYSA-O 334.484 3.042 50 1 EGGF CN(C)/C=C(/C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497265 IEYPKFKTQXRFEY-KWRJMZDGSA-N 344.842 3.477 50 1 EGGF COC(=O)c1ccccc1SSc1n[nH]c(-c2ccncc2)n1 103209941 SBWJBBROYAAXPH-UHFFFAOYSA-N 344.421 3.453 50 1 EGGF C=C[C@]1(C)C=C(C=O)[C@]2(CC1)OC(=O)[C@H]1C(C)(C)CCC[C@]12C(=O)O 2356839191 LRRZMKRUDVFTBA-GAZPGATBSA-N 346.423 3.291 50 1 EGGF COC(=O)c1ccc([C@H]2OO[C@@]3(CCC[C@@H](C)C3)[C@@H](OC)O2)cc1 43443083 PQMKDDFBOFVLPS-GQAVTEOGSA-N 336.384 3.372 50 1 EGGF O=C(CNc1cccc(Cl)c1)N/N=C/c1ccnc2ccccc12 201287379 YUVQFJROBFZPCR-SSDVNMTOSA-N 338.798 3.450 50 1 EGGF N#C/C(=C\Nc1ccc(F)c(Cl)c1)S(=O)(=O)Cc1ccco1 3083098 IPZUFVMUMXWJOV-XYOKQWHBSA-N 340.763 3.464 50 1 EGGF Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-] 1008035 IKOPLKQBVMMIKS-YBFXNURJSA-N 334.335 3.215 50 3 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356745443 ZQLIFPFEXOQKRV-HNONPPJISA-N 346.423 3.298 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356745445 ZQLIFPFEXOQKRV-NKGKWGDASA-N 346.423 3.298 50 1 EGGF COc1cccc([C@]2(CCCCl)c3c(cnn3C)CCN2C)c1 963954192 HNJQLMMEOOBKBO-GOSISDBHSA-N 333.863 3.179 50 1 EGGF CC(C)=CCC[C@@H](C)C/C=N/NC(=O)CCCCCC(=O)NO 95808310 JNVACYXHIOFZEU-COYFKBPASA-N 325.453 3.317 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)C=C(C)C)[C@@H]12 2356484334 QJGMYCJDXVYSEU-AOIWGVFYSA-N 344.407 3.218 50 1 EGGF CO[C@@H]1C[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@H](O)C=C1C=O 2356688699 JKAXWKMSLAMQBR-ZGXHVFIOSA-N 348.483 3.033 50 1 EGGF C[C@@H]1CCc2sc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2C1 587034865 ZXQDDKMOYIJWPB-SECBINFHSA-N 326.425 3.020 50 1 EGGF O=C(NN/C=C1/C=NN=C1c1ccc(Cl)cc1)c1cccs1 15974587 PVVKSFZUATYEML-LUAWRHEFSA-N 330.800 3.009 50 1 EGGF CC(C=O)=CCCC(C)=CCCC(=CCCC(=CCO)CO)CO 2356743035 VNFLLBXVRXBFBT-UHFFFAOYSA-N 336.472 3.248 50 1 EGGF CN(C)CCOc1ccc2nc(CCCCBr)[nH]c2c1 586972089 GBHLGJJYSWVYMY-UHFFFAOYSA-N 340.265 3.221 50 1 EGGF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 587952909 XVNWKGAXVZVPJD-FFSVYQOJSA-N 330.432 3.213 50 1 EGGF O=C(COc1ccc(Cl)cc1)N/N=C\c1cccc2cccnc12 15997736 DQOCSGNZPMUZQC-NHDPSOOVSA-N 339.782 3.417 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@H]1C[C@H]1C 1857554579 PMMSIFJUVYIACX-XXQIQUODSA-N 347.802 3.104 50 1 EGGF CC1(C)[C@@H]2CC=C3C(=O)OC[C@@H]3O[C@@]2(C)CC[C@H]1Br 140213895 BEMNKPXNGWTBLQ-OHTBPHCPSA-N 329.234 3.217 50 1 EGGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(CNC(=O)CCl)N1 962955105 RTARXLJPAJJEHI-KPZWWZAWSA-N 333.863 3.053 50 1 EGGF O=C(N/N=C/c1ccc(O)cc1)c1ccccc1C(=O)c1ccccc1 103169559 QNBVYCLJUOPHPA-HYARGMPZSA-N 344.370 3.387 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@@H]3C[C@@H](/C(C=O)=C/C(=O)O)O[C@@]3(C)CC(=O)[C@H]12 238745034 GLCXBBOBVBMFPK-USQYMYOZSA-N 348.439 3.166 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=CC[C@H]12 145675571 BEMNKPXNGWTBLQ-FJJYHAOUSA-N 329.234 3.217 50 1 EGGF NNC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074220 TUAKNGBVQLIBBN-UHFFFAOYSA-N 340.814 3.290 50 1 EGGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CC)(CNC(=O)CCl)N1 962955109 RTARXLJPAJJEHI-SGTLLEGYSA-N 333.863 3.053 50 1 EGGF NNC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898672 SBXQDRXFYCGBCT-UHFFFAOYSA-N 344.374 3.206 50 1 EGGF COC(=O)c1cc(Cl)c2[nH]c(/C=C\CBr)nc2c1 586973607 MHYXHXCYJBGVMB-IHWYPQMZSA-N 329.581 3.411 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 586970673 IEHJVUQYUKFCSR-JTQLQIEISA-N 343.612 3.344 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@H]12 5439422 BEMNKPXNGWTBLQ-OXIQGZBJSA-N 329.234 3.217 50 1 EGGF biogenic C/C1=C/C=C(/[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 169369419 QFVXFKRYGGAMLR-GDPVABLBSA-N 334.456 3.239 50 1 EGGF N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)NCCc1ccccc1 1857584226 QWYNSUNWBHEREZ-FLGOTCTISA-N 346.386 3.237 50 1 EGGF C=C1C[C@@]2(C(=O)O)C[C@H]1CC[C@]2(C)[C@@H]1CCC[C@]2(C)C(=O)OC(=O)[C@H]12 2356387006 DNDDGKFGWMYCIM-QDPBXTTQSA-N 346.423 3.330 50 1 EGGF Cc1cncc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1 27414830 IPCQQUDNQCVJKN-UHFFFAOYSA-N 329.739 3.454 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)C=C(C)C)=CC[C@H]12 2356680439 IYNCTXVRKOBMAK-QZTJIDSGSA-N 344.407 3.219 50 1 EGGF CC1(C)CCC[C@]2(C)[C@@H]1C(=O)C[C@]1(C)O[C@@H](C(C=O)=CC(=O)O)C[C@@H]12 2356451441 GLCXBBOBVBMFPK-CTZQRVGRSA-N 348.439 3.166 50 1 EGGF NNC(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587962091 QZHJTPDUDLHQSH-UHFFFAOYSA-N 342.402 3.424 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 153512594 ZQLIFPFEXOQKRV-JAUQCXJXSA-N 346.423 3.298 50 1 EGGF biogenic CCOC(=O)c1c(CBr)[nH]c2cc([N+](=O)[O-])ccc12 587643262 CFFBZKGERFWPII-UHFFFAOYSA-N 327.134 3.148 50 1 EGGF O=c1c2ccccc2sc2cc(OC[C@H](O)CCl)cc(O)c12 198496392 CUATZHZYMGTLPX-SECBINFHSA-N 336.796 3.099 50 1 EGGF O=C(N/N=C1\C(=O)N(c2ccccc2)c2ccccc21)c1ccccc1 40394240 FUMXYOGFJXXGPF-QOCHGBHMSA-N 341.370 3.499 50 1 EGGF CC(C)(F)[C@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587087978 ZXVGGBROSPXTHP-ZJUUUORDSA-N 329.173 3.471 50 1 EGGF C=C(C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C)[C@@H](C)OC(=O)C(C)C 2356683104 HEZGMLUKBXXBPT-ZBFHGGJFSA-N 334.412 3.154 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 64549326 DIROJHMPECHEBM-FUHWJXTLSA-N 344.370 3.437 50 1 EGGF O=C(CCl)NCCCCNc1ccnc2cc(Cl)ccc12 35190588 FAGBFCJXYPTMBS-UHFFFAOYSA-N 326.227 3.435 50 1 EGGF Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1 1772576034 PTNPMTINAOHIAJ-IFRROFPPSA-N 342.708 3.100 50 1 EGGF N#C/C(=C1/C(=O)Nc2ccc(Br)cc21)c1ccccn1 5447344 GUVYOPZXHYTYOY-KAMYIIQDSA-N 326.153 3.231 50 3 EGGF CCCc1c(O)ccc2c1O[C@](C)(C(=O)CBr)CC2=O 587456092 KNGXQDLPZICJHS-HNNXBMFYSA-N 341.201 3.033 50 1 EGGF O=C(N/N=C(\c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 6049259 KQDQBRUZHZMHIN-DYTRJAOYSA-N 346.346 3.172 50 3 EGGF CCCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103279071 OACLVFKLTUJGNF-RXMQYKEDSA-N 346.172 3.449 50 1 EGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Br 40411801 MAUPWGKFJDNIPY-LCWDIZFYSA-N 348.212 3.465 50 1 EGGF CO[C@]1(c2ncccc2Br)C=C(C#N)C(=O)C(C)(C)C1 1857588768 GZPBVHCXCRZLJO-OAHLLOKOSA-N 335.201 3.135 50 1 EGGF C/C(NNC(=O)COc1cccc(C)c1)=C1/C=Cc2ccccc2C1=O 103981232 STYRGBXWERBVQA-OBGWFSINSA-N 348.402 3.178 50 3 EGGF O=C(CCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl 26165210 CSVPVXZWSSCWON-KRWDZBQOSA-N 329.827 3.155 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)C=C(C)C)[C@H]12 2356484336 QJGMYCJDXVYSEU-ZHALLVOQSA-N 344.407 3.218 50 1 EGGF COc1ccc2ccc(C(=N)N)cc2c1OCCCBr 43068505 IQSSJVGPYCFBSQ-UHFFFAOYSA-N 337.217 3.296 50 1 EGGF in-vitro COC(C)(C)[C@@H](Br)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 586971215 OOCLRVGRVFQKLB-QWRGUYRKSA-N 341.209 3.148 50 1 EGGF Cc1ccc2nc(C(C#N)=Cc3ccc(OCC(N)=O)cc3)[nH]c2c1C 1857583105 VRZXSCDNQGABMH-UHFFFAOYSA-N 346.390 3.108 50 1 EGGF COC(=O)[C@@H]1CC(c2ccccc2)(c2ccccc2)OO[C@@]1(C)OC 1857541869 FPOIUWHZBVVNKA-PKOBYXMFSA-N 342.391 3.434 50 1 EGGF CCO/C(O)=C1/C(C)=NC(SCC(=O)O)=C(C#N)[C@@H]1c1ccco1 17511352 BSVGRWQJZLARDX-UMWKZLPKSA-N 348.380 3.197 50 1 EGGF O=C(CNc1ccc2ccccc2c1)N/N=C\c1ccc(C(=O)O)cc1 33285178 ZWXVOKHGRSAQRF-UUYOSTAYSA-N 347.374 3.100 50 1 EGGF CC(C)C(=O)N[C@@H](C)C(=O)N(Cc1ccc2ccccc2c1)N=O 5889006 WOXRKTZDFXLUEU-ZDUSSCGKSA-N 327.384 3.011 50 1 EGGF CC1(C)C=C(n2ccccc2=O)c2cc(C=C(C#N)C#N)ccc2O1 13795400 KPWOPKDJZCCSNI-UHFFFAOYSA-N 329.359 3.339 50 1 EGGF C=C1[C@H]2CC[C@H]([C@]3(C)CCC[C@]4(C)C(=O)OC(=O)[C@@H]43)[C@@](C=O)(C2)[C@@H]1F 2356598651 WKCZSMWYYNNWGT-JJBJBUIQSA-N 348.414 3.392 50 1 EGGF CC(C)(F)[C@H](Br)c1nc2c(S)nc(S)nc2[nH]1 587086482 AMGDNVQCAYHRCW-SCSAIBSYSA-N 337.243 3.114 50 1 EGGF CCc1ccc(/C=N\NC(=O)c2ccc(Br)o2)s1 13111592 ZDJVOYNPEDHNIE-AUWJEWJLSA-N 327.203 3.430 50 3 EGGF CCS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1 587188201 OHPMHGLYNNRFBE-GXDHUFHOSA-N 337.404 3.421 50 1 EGGF COc1cc2c(cc1OC)C1(CC(Br)C1)N(C)[C@@H](C)C2 962628059 OAFVXQSCCNGROX-LWOUBBNUSA-N 340.261 3.333 50 1 EGGF C=C1CC=C[C@@]2(C)CC[C@H](C(C=O)=CC=CC(C)(C)O)[C@H]1C(=O)O2 2356476535 KTUFGDGBAVAMOZ-UWVAXJGDSA-N 330.424 3.283 50 1 EGGF CC1(C)OB(c2ccc(N(CCCl)CCCl)cc2)OC1(C)C 207145297 AENKUMDOUJATFT-UHFFFAOYSA-N 344.091 3.270 50 1 EGGF COc1cc(-c2oc3c(O)cc(C=CC=O)cc3c2CO)ccc1O 2356664044 DZHZUDBDCBSWBC-UHFFFAOYSA-N 340.331 3.224 50 1 EGGF CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C/C=C(/C)C[C@H](O)[C@H]12 14502177 NLUMRGVTMXPWAA-FEIWVAJZSA-N 332.440 3.365 50 1 EGGF NC(=O)N/N=C/c1ccc(Oc2ccc(Br)cc2)cc1 27315661 WFKAOJIZWYQQOA-RQZCQDPDSA-N 334.173 3.244 50 1 EGGF Cc1cccc(/C=N\NC(=O)[C@@H](C)Nc2cccc3ccccc23)n1 8581722 SOAGHVVXWUSYSB-PJMHOZITSA-N 332.407 3.494 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 64549325 DIROJHMPECHEBM-SJLPKXTDSA-N 344.370 3.437 50 1 EGGF C/C(=N/NC(=O)c1nc(C(C)C)cs1)c1ccc([N+](=O)[O-])cc1 45298440 OPNUWEMRKZOAEK-YVLHZVERSA-N 332.385 3.329 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc(Cl)nc(C#N)c2[nH]1 586970674 IEHJVUQYUKFCSR-SNVBAGLBSA-N 343.612 3.344 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)[C@H](C)CC)=CC[C@H]12 2356380395 DLWCLJQUSIBFQH-FSPWUOQZSA-N 346.423 3.299 50 1 EGGF CC(=CCO)CCC=C(C=O)CCC[C@H](C)C(=O)C[C@H]1C[C@]1(C)O 2356657798 ULIUIAXZOFSSAK-QRFRQXIXSA-N 336.472 3.367 50 1 EGGF CCCC[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H](O[C@H]1O)O4 43382001 AUHMEINSEOXFGE-VMAIWCPRSA-N 326.433 3.357 50 1 EGGF O=c1c2ccccc2oc2cc(OCCBr)cc(O)c12 299827753 RIUVFOGWTHSMFH-UHFFFAOYSA-N 335.153 3.426 50 1 EGGF CC1=C(c2nc(C)no2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49784000 RMUHHDGVZZPDIP-WRGSQYRUSA-N 348.399 3.355 50 1 EGGF CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C\N(C)C)CC2=O 587459107 MUAQFZMOIVJVIM-SIKDUDHDSA-N 348.830 3.257 50 1 EGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587189110 ZZUFMOANWGCJJF-NTEUORMPSA-N 337.404 3.339 50 1 EGGF COc1ccc([C@@H]2O[C@H]2C(=O)NNc2cc(C)c3ccccc3n2)cc1 27988739 QOUXQKCAQOMYKE-RBUKOAKNSA-N 349.390 3.135 50 1 EGGF CC=C[C@@H]1CO[C@@]2(C)Oc3c(C(C=O)=CCC)coc(=O)c3C[C@@H]12 2356723021 XCCRIMCUROIIKJ-AZOIQLNYSA-N 330.380 3.122 50 1 EGGF CC(C=O)=CCc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 2356786200 ZJSBETNMBPEILM-SFHVURJKSA-N 338.359 3.492 50 1 EGGF Cc1c(Cl)cccc1N/C=C(\C#N)C(=O)NC(=O)c1ccccc1 6418077 DLCLTEPJTVXZPE-SDNWHVSQSA-N 339.782 3.424 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@H](C)CC 1857554266 HWWOYRWRLOKZLX-XTTRTJGBSA-N 349.818 3.494 50 1 EGGF CC(=O)O[C@@H]1C=C(C)CCC=C(C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C 2356650529 IVPDEPJTXZGQDQ-GUDVDZBRSA-N 336.428 3.378 50 1 EGGF CC1(C)[C@H](Br)C[C@H](O)C(=CCBr)[C@H]1Cl 2356786243 ZMWOJCNCDIDVAM-DJLDLDEBSA-N 346.490 3.469 50 1 EGGF COC(=O)CCOC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C 195188800 IJYNOTWZKTWNNS-ZIAGYGMSSA-N 332.513 3.136 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4ccc(OC(F)(F)F)cc4[nH]3)ccc21 586909129 VZPARTPZBZKJCN-UHFFFAOYSA-N 348.236 3.439 50 1 EGGF CC(C)(C)c1ccc(C(=O)CC(=O)N/N=C/c2ccc(O)cc2)cc1 1857645832 CUHZQFDVDNCWOE-FYJGNVAPSA-N 338.407 3.413 50 1 EGGF CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@@H]1O4 100863907 NEWNOEXLDGMFRU-JXNVIROKSA-N 337.460 3.336 50 1 EGGF CC1(C)O[C@]2(C)[C@H]3CC[C@@](C)(O[C@@H]2C[C@H]1Br)[C@H](O)C3 2356578187 IFRYZAZPOYZDBK-RWBGOSSDSA-N 333.266 3.026 50 1 EGGF CN(C)CCSSCCn1cc(-c2ccc(F)cc2F)nn1 618009826 LAPJXEQHTDQIGD-UHFFFAOYSA-N 344.456 3.166 50 1 EGGF Cc1cccc(C(=O)NNCc2ccccc2)c1NC(=O)C(C)(C)C 103207459 KGJBAAMUYKTTHR-UHFFFAOYSA-N 339.439 3.414 50 1 EGGF COC[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688749 NTMPNYOILITBGJ-OQPBUACISA-N 336.632 3.203 50 1 EGGF CCCC[C@@H](/C=N/NC(=O)N1CCCCC1)NC(=O)OC(C)(C)C 28570806 VAWNOLXSSUCWHC-RAOBZKRQSA-N 340.468 3.251 50 1 EGGF C[C@@H](CCl)NC(=O)Nc1ccc(I)cc1 13529597 AKFJMJCPLGBEPB-ZETCQYMHSA-N 338.576 3.040 50 1 EGGF COc1cc2c3c(c1)O[C@@](CCl)(COc1ccccc1)[C@@H](C2)C3=O 587417881 QDXUVDFXPZEBKS-KXBFYZLASA-N 344.794 3.499 50 1 EGGF O=C(Cl)c1cccc(C(=O)c2coc3cc([N+](=O)[O-])ccc23)n1 587280558 ZYQLBZSQTHWQIT-UHFFFAOYSA-N 330.683 3.346 50 1 EGGF COc1cc2c3c(c1)O[C@](C(=O)Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429702 WPCNJISAMMASOT-SCLBCKFNSA-N 346.741 3.243 50 1 EGGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1ccc2nccnc2c1 13864074 DAEGOQLEFUNRHM-FSJBWODESA-N 342.358 3.253 50 1 EGGF Cc1ccc(C(O)=C(C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 1857742446 NGZMHIXITFUAIC-UHFFFAOYSA-O 331.399 3.206 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587010031 ZWOOGPGYKAKWMX-UHFFFAOYSA-N 335.713 3.052 50 1 EGGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)[C@@H]1CCCO1 39133580 FEJUYLWGALQGJN-KLDSGFLGSA-N 326.274 3.159 50 1 EGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CCCl)(c2cccs2)N1 962916013 WLITVYXKZKZUPY-XJKSGUPXSA-N 339.819 3.359 50 1 EGGF O=C(O)c1cccc2c1CCN[C@]21CCCCC[C@@H]1Br 963132639 RMSQZZRMVFBXNI-GOEBONIOSA-N 338.245 3.453 50 1 EGGF Cc1ccc(-c2cc(C(=O)NN/C=C3\C=Nc4ccccc43)[nH]n2)cc1 13118992 MBHOCWMGHKCIDZ-NTCAYCPXSA-N 343.390 3.377 50 3 EGGF Cc1c(C(=O)N/N=C\c2c(O)cccc2F)oc2cccc(O)c12 1911580850 LLUZEJOXOPCQPJ-UWVJOHFNSA-N 328.299 3.055 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCO3 586971837 ZQEXRMUEFZAMAI-NSHDSACASA-N 327.178 3.153 50 1 EGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Br 40411795 MAUPWGKFJDNIPY-JVQVWZCXSA-N 348.212 3.465 50 1 EGGF Cc1c(C(=O)NNc2ccccc2)n2c(S)nnc2c2ccccc12 3588680 MJRUJKFFSGXJIB-UHFFFAOYSA-N 349.419 3.237 50 1 EGGF C=C1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H](O[C@@H]1OOCC)O4 102781316 BENASNHJHCMGTI-SGEMFXFFSA-N 326.389 3.083 50 1 EGGF CC1(C)CCC[C@]2(C)[C@H](C=CC3=CCOC3=O)C(C=O)=CC(=O)[C@H]12 2356482664 RFLFJWXIHDVQJA-WRWLIDTKSA-N 328.408 3.183 50 1 EGGF C[C@H](Br)COc1oc(=O)c2cc(N)ccc2c1Cl 27632820 OEDWZHQYEAKXCH-LURJTMIESA-N 332.581 3.191 50 1 EGGF COc1cc(C)c2c3c(c(O)c4c2c1C(=O)OC4=O)C(C)(C)[C@@H](C)O3 2356457188 GUGYQHCMALTAMG-MRVPVSSYSA-N 342.347 3.232 50 1 EGGF O=C(O)c1ccc([C@@]23CC[C@H]4CCC[C@H]5CCO[C@H](O2)[C@]54OO3)cc1 14164330 HBRPWCYIBFOENU-XWCCPHMRSA-N 346.379 3.211 50 1 EGGF in-vivo CCO/C(O)=C1/C(C)=NC(SCC(=O)O)=C(C#N)[C@H]1c1ccco1 17511350 BSVGRWQJZLARDX-DSDLTIFZSA-N 348.380 3.197 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CCCO)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169373072 BAJSYLWSYBXRPS-ZZUVJJEMSA-N 326.433 3.009 50 1 EGGF ClC[C@H](Cl)c1nc2cc(I)cnc2[nH]1 587007403 CZRPVMUZTFNKLG-YFKPBYRVSA-N 341.967 3.081 50 1 EGGF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 587952911 XVNWKGAXVZVPJD-KFNAQCHYSA-N 330.432 3.213 50 1 EGGF Cc1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201289983 IANLHQTVNOGKEV-CGOBSMCZSA-N 337.210 3.259 50 1 EGGF CC(C)=CCC[C@@H]1COC(=O)[C@H]2/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@H]12 140589642 NLUMRGVTMXPWAA-MHGNXIIYSA-N 332.440 3.365 50 1 EGGF S=C=Nc1ccc2nc(-c3ccc(N4CCOCC4)nc3)oc2c1 28108117 DNQZPBCDAIMGGW-UHFFFAOYSA-N 338.392 3.461 50 1 EGGF C[C@@](O)(CCl)COc1cc(O)c2c(=O)c3ccccc3oc2c1 140052569 WQJXERRXFFDUBQ-QGZVFWFLSA-N 334.755 3.020 50 1 EGGF COc1cc2c3c(c1)O[C@@](CBr)(CC1CC1)[C@@H](C2)C3=O 587414870 PDWVIXIZWVZZBT-BLLLJJGKSA-N 337.213 3.376 50 1 EGGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(=N)[nH]cc2[nH]1 586974766 ZHQYPTWFLOYKKZ-VIFPVBQESA-N 331.217 3.417 50 1 EGGF COC(=O)c1cc2[nH]c(CCCCBr)nc2cc1OC 586972333 MPIZEXAJYNJFPY-UHFFFAOYSA-N 341.205 3.076 50 1 EGGF Cc1cccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)n1 27409320 QYLOWKPCFBMEOY-UHFFFAOYSA-N 329.739 3.454 50 1 EGGF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587170272 MSBPIIMFKUHWMG-SNVBAGLBSA-N 344.415 3.201 50 1 EGGF COc1cccc([C@@]23CCC[C@@H](C2)NC[C@@H]3Br)c1OC 6010276 SNOQZZRZXHKDHJ-HZUKXOBISA-N 340.261 3.251 50 1 EGGF Cc1cc(C)c(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)[nH]1 95771516 IZBCODVZXHJQIT-CNHKJKLMSA-N 340.210 3.467 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587009416 DXMOBDYIFVAZAA-UHFFFAOYSA-N 337.704 3.311 50 1 EGGF COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1O 13780601 GBUWWCAJZNCFFA-AUWJEWJLSA-N 341.363 3.491 50 1 EGGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1cccs1 472791611 ZTXLAKNCPFYIEH-UHFFFAOYSA-N 349.843 3.304 50 1 EGGF CNc1nc(C)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653873029 ZMALEAMQASVSBN-FBCYGCLPSA-N 342.346 3.276 50 1 EGGF CCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 200084850 WZTNDRRNZCBNJS-ZRSRSMIKSA-N 340.416 3.148 50 1 EGGF CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)O[C@H]1C 36289046 UKHXDKWOIQBSBZ-TXCMAPRMSA-N 337.508 3.435 50 1 EGGF O=C(O)c1c(F)c(F)c(N(CCCl)CCCl)c(F)c1F 28472716 IEQSOLYGANZTKI-UHFFFAOYSA-N 334.096 3.225 50 1 EGGF O=C(N/N=C/c1c[nH]c2ccc(F)cc12)C(=O)c1c[nH]c2ccccc12 1857630571 LDYFVVCKJCTNGN-NUGSKGIGSA-N 348.337 3.121 50 1 EGGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@@]24OO3 195242207 VTVOEKXJXVLZMI-PMFHQGDTSA-N 348.386 3.476 50 1 EGGF CC1=C(C/C=N/NC(=O)c2cccc(C(=O)NO)c2)C(C)(C)CCC1 95808783 JAILHQLZLJLZRY-RGVLZGJSSA-N 343.427 3.438 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 104356884 LLFFQXOEXCHHKX-ILBVDLKUSA-N 344.407 3.218 50 1 EGGF endogenous,in-man CC(C)(F)[C@@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587087858 XERZDPONZLOPPR-VIFPVBQESA-N 327.157 3.329 50 1 EGGF [C-]#[N+][C@@H]1C(C)=NC(C(F)F)=C(C#N)[C@@H]1c1cc2c(N)nccc2o1 169698721 IGOZHMVYVXYCSV-CHWSQXEVSA-N 327.294 3.299 50 1 EGGF CCCN(C[C@@H](C)Br)[C@@H]1CCc2cc(O)c(O)cc2C1 29555809 IABOSHQOQBDMBE-BXUZGUMPSA-N 342.277 3.451 50 1 EGGF COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 40587743 FXLCEZXFOJVZCZ-GOSISDBHSA-N 347.374 3.403 50 1 EGGF CC(=O)OCOC(=O)N(C)/N=N/c1ccc(Br)cc1 72179095 BYJMJQPEAUHNNU-BUHFOSPRSA-N 330.138 3.037 50 1 EGGF CCOC(=O)Cc1ccc2nc(CCCCBr)[nH]c2c1 586972725 ZZAWVMNPBYMWNF-UHFFFAOYSA-N 339.233 3.386 50 1 EGGF COC(C)(C)[C@@]1(CBr)NCCc2ccc(F)c(C)c21 962142999 HNWJBAJAAAISPU-HNNXBMFYSA-N 330.241 3.295 50 1 EGGF CC(=O)O[C@@H]1[C@H](Cl)C2=C(COC2=O)[C@]2(C)CCCC(C)(C)[C@@H]12 2356760298 VSZWKJIFSQDWII-WBOJAVRRSA-N 326.820 3.225 50 1 EGGF COC(=O)[C@H]1CC(c2ccccc2)(c2ccccc2)OO[C@@]1(C)OC 1857541867 FPOIUWHZBVVNKA-IEBWSBKVSA-N 342.391 3.434 50 1 EGGF O=c1c(Cl)nc(Cl)c(CBr)n1-c1ccccc1 43074881 HAZQTUWFPGXBSX-UHFFFAOYSA-N 334.000 3.434 50 1 EGGF CN(C)c1ccc(/C=N/NC(=O)c2ccc(-n3cccc3)cc2)cc1 6287003 HCVRGMFTDHBPNI-RCCKNPSSSA-N 332.407 3.307 50 1 EGGF CC[C@H](C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103278890 DXESLKPLXSFJJQ-CRCLSJGQSA-N 346.172 3.305 50 1 EGGF [C-]#[N+][C@@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 1772641177 AJGIHAIIKZOMID-OAHLLOKOSA-N 328.379 3.385 50 1 EGGF O=C(O)CCCCCCCCCCCNC(=O)CBr 29554645 IWTJIYBCSDSWQT-UHFFFAOYSA-N 336.270 3.483 50 1 EGGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195284727 BAJSYLWSYBXRPS-UOFIZVFDSA-N 326.433 3.009 50 1 EGGF CN(C)CCSSCCCNC(=O)c1cc(Cl)ccc1O 618008065 QXKWSLZCOBSRDL-UHFFFAOYSA-N 348.921 3.109 50 1 EGGF CC1(C)CCC[C@]2(C)[C@H](C=CC3=CCOC3=O)C(C=O)=CC(=O)[C@@H]12 2356482662 RFLFJWXIHDVQJA-OXFYSEKESA-N 328.408 3.183 50 1 EGGF O=C(COc1c(Cl)cc(Cl)cc1Cl)NN/C=C1/C=CC=N1 198342401 SZYDKEIZVCSYNB-TWGQIWQCSA-N 346.601 3.128 50 3 EGGF COC(C)(C)[C@@H](Br)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586970878 HWZDCTYQXAMZKC-JTQLQIEISA-N 328.166 3.332 50 1 EGGF C=C(C)C(=O)O[C@@H]1C=C(C)CC[C@H](OO)C(=C)C[C@H]2OC(=O)C(=C)[C@H]12 2356605260 ZKQWDJFVKBUBDS-YLFCFFPRSA-N 348.395 3.117 50 1 EGGF O=C(O)CCCCCC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 95809007 WYYKFHDUDMCBCJ-VXLYETTFSA-N 330.306 3.191 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586971700 WVODZLPZGJGSOY-SNVBAGLBSA-N 339.193 3.006 50 1 EGGF O=C(/C=C/c1ccc(Cl)cc1Cl)NNC(=O)c1ccccc1 6426885 FOGOBDYKYHDXQA-VQHVLOKHSA-N 335.190 3.468 50 1 EGGF O=c1cc(CCl)[nH]c2c(-c3ccccc3)c(C(F)(F)F)nn12 101404844 MUJUXQRURMBUJU-UHFFFAOYSA-N 327.693 3.447 50 1 EGGF CCOc1ccc(/C=C/C(=O)NNc2nncc3ccccc23)cc1 66111618 XYYZNOMQGMUULN-FMIVXFBMSA-N 334.379 3.185 50 1 EGGF NNC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587072970 ALWKXGZMFJXXCQ-UHFFFAOYSA-N 340.814 3.094 50 1 EGGF CN(CCCl)CCNc1cccc2c1C(=O)c1ccccc1C2=O 29487035 PSPMGUYEWGRMBM-UHFFFAOYSA-N 342.826 3.045 50 1 EGGF N#CC1=C(N)[C@@H]2[C@@H](c3ccccc3)c3ccc(O)cc3O[C@@H]2CC1=N 40533272 QCYGMIMYVDIWAD-QYZOEREBSA-N 331.375 3.061 50 1 EGGF COC(=O)c1cc2[nH]c(/C(C#N)=C\c3ccccc3)nc2cc1OC 587187676 JMFKDKWFCKFNAO-JYRVWZFOSA-N 333.347 3.422 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3COC(=O)C3=CC[C@@H]12 14854593 BEMNKPXNGWTBLQ-YXMPFFBPSA-N 329.234 3.217 50 1 EGGF biogenic Cc1ccc(/C=N/NC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)o1 103204119 BUWGEYQSOXVEID-DJKKODMXSA-N 347.802 3.144 50 1 EGGF COC(=O)/C=C/OC[C@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C 194996663 PLZKIIULZQORTM-LLVNNSLESA-N 330.497 3.259 50 1 EGGF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C\CBr)nc1-2 586973571 LNOYKDZFPKYPLY-UPHRSURJSA-N 341.518 3.385 50 1 EGGF Cc1cc([C@]2(CCl)c3nn(C)cc3CCN2C)c(C)n1C(C)C 963956300 VRXYMEMNYGJKHB-GOSISDBHSA-N 334.895 3.390 50 1 EGGF Oc1nc(O)c2ccc(-c3cc(Cl)cc(CCl)c3O)nc2n1 587369119 VXHZJJSHDHREJJ-UHFFFAOYSA-N 338.150 3.201 50 1 EGGF COCCN(C(=O)CCl)C(=C(C)C)c1ccc(OC)c(OC)c1 103191857 KRDKBKOEZWDWLR-UHFFFAOYSA-N 341.835 3.169 50 1 EGGF C=C(C)C(=O)O[C@@H]1C=C(C)CC[C@H](OO)C(=C)C[C@H]2OC(=O)C(=C)[C@@H]12 2356605258 ZKQWDJFVKBUBDS-HZMVEIRTSA-N 348.395 3.117 50 1 EGGF CC(C)c1nn(C)c2c1[C@H](c1ccc(N(C)CCCl)cc1)NCC2 962912727 PJKVUNPTRJSVPZ-IBGZPJMESA-N 346.906 3.454 50 1 EGGF Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)[nH]1 84740253 NCUYPVCUNVAJPV-REZTVBANSA-N 326.183 3.159 50 1 EGGF C=C1CC=C[C@]2(C)CC[C@H](/C(C=O)=C\C=C\C(C)(C)O)[C@H]1C(=O)O2 145574509 KTUFGDGBAVAMOZ-QEGPYRFJSA-N 330.424 3.283 50 1 EGGF Cc1cc(=O)oc2c3c(ccc12)C(=O)/C(=C\NC(C)(C)C)C=C3C=O 102418592 MMVKZSUDBPLWKP-XFXZXTDPSA-N 337.375 3.152 50 1 EGGF Cc1cc2nc(C(C)(C)NC(=O)CCl)[nH]c2cc1Br 587009126 WNVCRHPJTXJKEQ-UHFFFAOYSA-N 344.640 3.224 50 1 EGGF CO[C@@]1(c2ncc(F)cc2OC(F)F)C=C(C#N)C(=O)C(C)(C)C1 1857594970 SBUONPYJIJURMT-INIZCTEOSA-N 340.301 3.113 50 1 EGGF COc1cc2c3c(c1)O[C@H]([C@@H](Br)C(C)C)[C@@H](C2)C3=O 587413564 HHJIMPRFTKOLRX-XEGUGMAKSA-N 325.202 3.231 50 1 EGGF C=C1[C@H]2CC[C@H]([C@]3(C)CCC[C@]4(C)C(=O)OC(=O)[C@H]43)[C@@](C=O)(C2)[C@@H]1F 2356598652 WKCZSMWYYNNWGT-MWACEMLQSA-N 348.414 3.392 50 1 EGGF COc1ccc(OC)c(/C=N/NC(=O)c2cc(Cl)c(Cl)[nH]2)c1 64539987 RDCVBAAKQKAVBG-REZTVBANSA-N 342.182 3.103 50 1 EGGF CCOC(=O)C[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497836 LBPRGEIPZSRAEQ-SFHVURJKSA-N 336.815 3.461 50 1 EGGF CCCCCN1C(=O)/C(=N\NC(=O)CC(C)C)c2ccc(OC)cc21 40431349 CUYKRAWJHXDBDM-UZYVYHOESA-N 345.443 3.098 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2ccc([N+](=O)[O-])cc2[nH]1 586970879 HWZDCTYQXAMZKC-SNVBAGLBSA-N 328.166 3.332 50 1 EGGF CC[C@@]1([C@@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587498590 OSQRCNZJFPPZAF-WMZOPIPTSA-N 336.815 3.460 50 1 EGGF CCCc1c(O)ccc2c1O[C@](CBr)(C(C)=O)CC2=O 587456097 KOXBPKIRTZWKNQ-OAHLLOKOSA-N 341.201 3.033 50 1 EGGF Cc1c(C(=O)N/N=C\c2cc(F)ccc2O)oc2cccc(O)c12 1911576081 ITRQKPMDMNKJSJ-UWVJOHFNSA-N 328.299 3.055 50 1 EGGF COc1ccc2c(c1)O[C@@H]1CC(=N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1 40834482 IHGPFBSASYMLRH-AQNXPRMDSA-N 345.402 3.364 50 1 EGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C/N(C)C)N1 587753224 GUCDAVVFGCYXKD-UNENQYBWSA-N 338.224 3.133 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@@H]1c1ccccc1 64549346 SOCQSUJQXRQAHG-FUHWJXTLSA-N 343.386 3.010 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)CC(C)C)[C@@H]12 2356563755 BSJGKIXNWXOEIX-AOIWGVFYSA-N 346.423 3.298 50 1 EGGF O=C(NN/C=C1\C=Nc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 13126675 QHUDTIWXZCGSJO-MDZDMXLPSA-N 342.742 3.240 50 3 EGGF O=C(CNc1ccccc1Cc1ccccc1)N/N=C/c1ccncc1 201287691 AAIWLGYRFBGQGP-BUVRLJJBSA-N 344.418 3.235 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586970567 CKXXYZIHUGCSCU-SNVBAGLBSA-N 345.168 3.261 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C(C=O)[C@@H]2/C=C/C1=CCOC1=O 64560458 RFLFJWXIHDVQJA-AJCWELBYSA-N 328.408 3.183 50 1 EGGF Cc1ccccc1CCC(=O)N[C@@H](Cc1ccccc1)C(=O)CCl 26161597 HFKXVGCPIICBSU-SFHVURJKSA-N 343.854 3.463 50 1 EGGF N#C/C(=C\c1ccc(Br)cc1)n1nnc2ncccc21 1857630765 PTWSEEDCPCEKJG-XYOKQWHBSA-N 326.157 3.110 50 1 EGGF CCCCOc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 169348072 FXPNWGZCVOGPHL-GZTJUZNOSA-N 331.328 3.131 50 1 EGGF COc1cc2c3c(c1)O[C@@H](c1c(C)nn(CCCl)c1C)[C@@H](C2)C3=O 587422633 QXEMKBGZELKTPH-SCLBCKFNSA-N 346.814 3.236 50 1 EGGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CC)(CNC(=O)CCl)N1 962955110 RTARXLJPAJJEHI-XIKOKIGWSA-N 333.863 3.053 50 1 EGGF CCCC[C@H]1[C@@H](O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 43382000 AUHMEINSEOXFGE-QOBNMGNYSA-N 326.433 3.357 50 1 EGGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CC)(CNC(=O)CCl)N1 962955107 RTARXLJPAJJEHI-KZULUSFZSA-N 333.863 3.053 50 1 EGGF O=[N+]([O-])c1cc(Br)cc2nc(CBr)[nH]c12 586970445 BDRSZQVJGDYPCE-UHFFFAOYSA-N 334.955 3.129 50 1 EGGF CC[C@@]1(CNC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498400 NTKJHNUEUUZRLD-SFHVURJKSA-N 335.831 3.034 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@@H]3C[C@H](C(C=O)=CC(=O)O)O[C@@]3(C)CC(=O)[C@H]12 2356451444 GLCXBBOBVBMFPK-UPSZCFJUSA-N 348.439 3.166 50 1 EGGF N#CC1=C(C(F)F)NC(C(F)F)=C(C#N)C1c1ccc2[nH]ncc2c1 116587792 IJMNXEGVGVTCEE-UHFFFAOYSA-N 347.275 3.335 50 1 EGGF CC1(C)O[C@]2(C)[C@H]3CC[C@@](C)(O[C@@H]2C[C@@H]1Br)[C@H](O)C3 2356578185 IFRYZAZPOYZDBK-IDMWBNCISA-N 333.266 3.026 50 1 EGGF CC1(C)[C@@H](Cl)C(=CCBr)[C@@H](O)C[C@H]1Br 2356786246 ZMWOJCNCDIDVAM-YIZRAAEISA-N 346.490 3.469 50 1 EGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C/N(C)C)N1 587742875 UNAGVFVYAFOLJQ-PESFEUQZSA-N 338.224 3.133 50 1 EGGF CCCC[C@H]1[C@@H](O)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 43328083 AUHMEINSEOXFGE-VTGMPIQNSA-N 326.433 3.357 50 1 EGGF COC(=O)c1coc([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 587373426 QKTAMWXELIUYQH-QGZVFWFLSA-N 349.770 3.056 50 1 EGGF COc1cc2c3c(c1)O[C@](CCl)(c1oc(C)nc1C)[C@@H](C2)C3=O 587419453 DHZPAAGOKITMOV-SJCJKPOMSA-N 333.771 3.182 50 1 EGGF CC1(C)C(CSS(C)(=O)=O)=C(c2ccccc2)C(C)(C)N1[O] 103554863 FGHQQRBXYPCOQQ-UHFFFAOYSA-N 340.490 3.351 50 1 EGGF in-vitro CCOC(=O)c1cc(-c2ccc(C)cc2)[nH]c1NNC(=O)C(C)C 40900629 AEOFNGWQQNIFAD-UHFFFAOYSA-N 329.400 3.266 50 1 EGGF C=C1COOC2(CCC(Cc3ccc(C(=O)OC)cc3)CC2)OOC1 43606211 XMUPJFKBSLFAKI-UHFFFAOYSA-N 348.395 3.368 50 1 EGGF CC(C)=CCC[C@H](C)C/C=N/NC(=O)CCCCCC(=O)NO 95809380 JNVACYXHIOFZEU-VUODPORTSA-N 325.453 3.317 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4cc([N+](=O)[O-])c(Cl)cc4[nH]3)ccc21 586906417 CUFPICQHPCGOSR-UHFFFAOYSA-N 343.682 3.102 50 1 EGGF Nc1ccc2c3c(n(CCCCl)c(=O)c2c1)-c1ccccc1C3=O 95557746 RJJIFWFLFIUNLN-UHFFFAOYSA-N 338.794 3.424 50 1 EGGF Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccc(C(=O)O)cc3)cc2c1 1008012 PWSZWEVWWSUAAI-SRZZPIQSSA-N 347.374 3.314 50 3 EGGF Cc1ccc(/C(=N/C(=O)N2CCOCC2)C(Cl)Cl)cc1F 169689289 ZUJCDSQBBTWEHX-PDGQHHTCSA-N 333.190 3.179 50 1 EGGF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\NC(N)=O 26400911 YQFYQKHUSBMOSC-HCCHOVCQSA-N 345.487 3.334 50 1 EGGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2[C@H](C)c1ccccc1 13445930 BWJPUDDAYFPSIE-CYBMUJFWSA-N 337.423 3.100 50 1 EGGF CCCc1n[nH]c2c1[C@@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2 4169948 MUUQUYUGDXVJJE-ZDUSSCGKSA-N 346.337 3.182 50 1 EGGF COc1cc2c3c(c1)O[C@H]([C@H](Br)C(C)C)[C@@H](C2)C3=O 587413565 HHJIMPRFTKOLRX-ZBINZKHDSA-N 325.202 3.231 50 1 EGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc([N+](=O)[O-])c1 34020840 PJALAUKPEGQVBX-QGZVFWFLSA-N 336.351 3.245 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)N[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1 64548655 SOCQSUJQXRQAHG-SJLPKXTDSA-N 343.386 3.010 50 1 EGGF N#CC1=C(N)Oc2cc3c(cc2[C@@H]1c1cc(F)c(F)c(F)c1)CCN3 1857772989 AXPFSBQJHXFYGY-INIZCTEOSA-N 343.308 3.290 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4ccc(Br)cc4[nH]3)ccc21 586906936 HPKZVTBBVICTEK-UHFFFAOYSA-N 343.136 3.303 50 1 EGGF Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@@H]2c2ccccc2)c1 551046 SNTJIIZCJXPGLE-SFHVURJKSA-N 325.375 3.284 50 3 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238757240 ZQLIFPFEXOQKRV-IHFYOZTLSA-N 346.423 3.298 50 1 EGGF biogenic O=C1c2ccccc2C(=O)c2c1ccc1nc(CBr)[nH]c21 586972381 OUAKLUOVFLYUEG-UHFFFAOYSA-N 341.164 3.233 50 1 EGGF COc1cc2c3c(c1)O[C@H](c1c(C)nn(CCCl)c1C)[C@@H](C2)C3=O 587422638 QXEMKBGZELKTPH-UGSOOPFHSA-N 346.814 3.236 50 1 EGGF CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccccc2)c2ccccc21 1857653417 JFPFUICGRQUHME-DYTRJAOYSA-N 333.391 3.134 50 1 EGGF CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@H]1O4 43397140 SYUYRWDANMJWQO-DKINFNGSSA-N 337.460 3.480 50 1 EGGF N#CC1=C(N)Oc2cc3c(cc2[C@H]1c1cc(F)c(F)c(F)c1)CCN3 1857772990 AXPFSBQJHXFYGY-MRXNPFEDSA-N 343.308 3.290 50 1 EGGF C[C@H](OC(=O)CCl)c1cccc2nc3c(C(=O)O)cccc3nc12 14451292 IHLMRBZVFFWSTF-VIFPVBQESA-N 344.754 3.324 50 1 EGGF biogenic NNC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894377 BUIRVPMNCNUAAZ-UHFFFAOYSA-N 346.475 3.212 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)CC(C)C)[C@H]12 2356563757 BSJGKIXNWXOEIX-ZHALLVOQSA-N 346.423 3.298 50 1 EGGF [C-]#[N+][C@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(C)c2c1 169703262 GWHVNDIKKSYGTL-MAUKXSAKSA-N 334.379 3.164 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)ccc21 586907103 KIFOOBIGHRZJSC-UHFFFAOYSA-N 334.118 3.242 50 1 EGGF BrCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 586972423 QNWCBTKYMLULIF-UHFFFAOYSA-N 325.206 3.442 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C[C@@H](OC(C)(C)C)[C@H]1Cl)[C@@H](C2)C3=O 587420153 IPECLQCHZMRWNZ-DLLRYNTMSA-N 336.815 3.376 50 1 EGGF CCOC(=O)[C@H](Cl)[C@@]1(C)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962938963 AWOQGDYTAHWWIG-GEWABHDNSA-N 334.847 3.478 50 1 EGGF N=C(CCl)NCCOC(=O)NCc1cccc(-c2ccccc2)c1 1857544907 XOPFZBSGTNUENT-UHFFFAOYSA-N 345.830 3.385 50 1 EGGF CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@@H]2CC[C@H]3CCCC[C@]13OO2 43328004 NXSGPNQYOYQCRZ-NLPXPOPTSA-N 348.395 3.468 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586970433 AQMNVUMJPBVZDZ-JTQLQIEISA-N 345.168 3.261 50 1 EGGF COc1ccc2c(c1OC)[C@@](CCl)(C(C)(C)OC)N(C)[C@H](C)C2 962627309 LHQBPSAMMYOFKK-XIKOKIGWSA-N 341.879 3.439 50 1 EGGF CO[C@H]1O[C@@]2(c3ccc(C(=O)O)cc3)CC[C@H]3CCCC[C@@]13OO2 14128378 ZAFLSPJAOJQNGX-QCSYZSNVSA-N 334.368 3.211 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCO)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371007 BAJSYLWSYBXRPS-XFXUMDQZSA-N 326.433 3.009 50 1 EGGF C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)[C@H](C)CC)=C/C[C@H]12 238757466 DLWCLJQUSIBFQH-PSYGNGCTSA-N 346.423 3.299 50 1 EGGF COc1cc2c3c(c1)O[C@@H]([C@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O 587420547 KVVJKYIUHCUXCT-LXIYXOSZSA-N 332.783 3.303 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](Cl)C(=O)OCC)CC2=O 587458015 FGCFHKZTIVUNBQ-DOTOQJQBSA-N 340.803 3.239 50 1 EGGF CCC#C[N@+]1(Cc2nc(-c3ccc([C@H](N)N=O)cc3)cs2)COO1 958043832 IPWYCENVINKXEY-UZLBHIALSA-N 345.404 3.056 50 1 EGGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)[C@H]1CCOC1 100784935 YSYRGNVRWOFVJJ-LZTQFINJSA-N 326.274 3.016 50 1 EGGF CN(C)c1ccc(/C=N/NC(=O)c2ccc(O)c(O)c2)c2ccccc12 13442493 AKXMXGNCQLVIPQ-CIAFOILYSA-N 349.390 3.081 50 1 EGGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CCC=C(C)C[C@H](O)[C@H]12 2356595608 NLUMRGVTMXPWAA-YDZRNGNQSA-N 332.440 3.365 50 1 EGGF Cc1c(C(=O)N/N=C\c2cccc(F)c2O)oc2cccc(O)c12 1911575469 NANZDJAFFPBDGS-UWVJOHFNSA-N 328.299 3.055 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H](C3=C(O)C(=O)OC3)C[C@@H]12 238744416 VBNSOLWVHSCXLZ-VEABSNGSSA-N 345.233 3.103 50 1 EGGF Nc1c(-c2ccc(Cl)cc2)n[nH]c1C(=O)N/N=C/c1ccccc1 653706807 XTEVYMZZCHYNKR-KEBDBYFISA-N 339.786 3.076 50 1 EGGF CC[C@]1(CNC(=O)CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498397 NTKJHNUEUUZRLD-GOSISDBHSA-N 335.831 3.034 50 1 EGGF CCCc1c(O)ccc2c1O[C@](CC)([C@H](Cl)C(=O)OC)CC2=O 587458832 LNWZTFUZLBELEP-WBVHZDCISA-N 340.803 3.239 50 1 EGGF CCC(=O)N[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409252 JGXIJLJANIWKHM-INIZCTEOSA-N 342.351 3.158 50 1 EGGF C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)CC(C)C)=C/C[C@H]12 144759003 ZIISLDTWBFIFEJ-HJNUJTDTSA-N 346.423 3.299 50 1 EGGF biogenic COC(=O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2n1 95808918 PWVMAHQQAXNREI-XSFVSMFZSA-N 341.411 3.199 50 1 EGGF COc1cc2c3c(c1)O[C@@](CCl)(CCSC(C)=O)[C@@H](C2)C3=O 587449036 AFLXGPNHFZAJPE-BLLLJJGKSA-N 340.828 3.090 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1ccc(O)c(O)c1)O2 587371972 IVKWATBQMOTERO-QGZVFWFLSA-N 333.771 3.088 50 1 EGGF CC(C)(F)[C@@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587087653 SKALSRMQRLCOGB-NSHDSACASA-N 342.168 3.078 50 1 EGGF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCCBr)C(=O)O 26027414 MHIOMBZRFCOZBZ-LCFDYFRESA-N 346.265 3.463 50 1 EGGF O=C1C[C@@](CCl)(c2cnc(O)[nH]2)Oc2c1ccc1c2CCCC1 587498199 MLCZVJGJHUEYFG-QGZVFWFLSA-N 332.787 3.094 50 1 EGGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cccs1 1772600411 IKFOVOKVAJBVCI-UHFFFAOYSA-N 330.438 3.389 50 1 EGGF COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccccc41)[C@@H](C2)C3=O 587429658 QOYWXYDEINUOED-MGPUTAFESA-N 331.327 3.138 50 1 EGGF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CCCl)(c2cccs2)N1 962916011 WLITVYXKZKZUPY-BBRMVZONSA-N 339.819 3.359 50 1 EGGF CC(C)=CCC[C@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1 95809318 CKZKKPIGBWMSDP-YRIIZNAFSA-N 331.416 3.294 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C(F)F)CC[C@@H]([C@H]1C)[C@@]42OO3 169371387 XAPFARHSBSKKAM-BCYBFOPDSA-N 348.386 3.476 50 1 EGGF Fc1c(Br)cc2nc(CBr)[nH]c2c1F 586972070 FGNFHSJNCDUIKB-UHFFFAOYSA-N 325.938 3.499 50 1 EGGF Fc1cccc([C@@]2(CCCl)NCCc3nc4ccccn4c32)c1 962987403 LMMWRUQKKUSBFV-GOSISDBHSA-N 329.806 3.492 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H]3CO[C@@H](O)C3=CC[C@@H]12 2356458887 VWPMNNGYNDUDNN-KDBYPZKRSA-N 331.250 3.009 50 1 EGGF O=C(NN/C=C1\C=Nc2ccccc21)c1ccc(Br)cc1 13130823 QAWLXIGBUAKSIE-ZRDIBKRKSA-N 342.196 3.441 50 3 EGGF C=C(C=O)[C@@]12C=C3C(=O)C[C@H](C(C)C)[C@@]3(C)CC[C@]1(C)CC(=O)O2 34093646 XDEMETQGFBYWPP-DMSXTEQDSA-N 330.424 3.405 50 1 EGGF CCCCCN1C(=O)/C(=N\NC(=O)C(C)(C)C)c2ccc(OC)cc21 40424514 RUPABXNDJZYHPM-SILNSSARSA-N 345.443 3.098 50 1 EGGF Cc1nc2[nH]c(/C=C/CBr)nc2cc1Br 586972686 ZGGZFHFYPYVTMV-NSCUHMNNSA-N 331.011 3.437 50 1 EGGF CCCCN/C=C1/C=C(C=O)c2c(ccc3c(C)cc(=O)oc23)C1=O 101608893 IIFVTOAYIXDOPC-RAXLEYEMSA-N 337.375 3.154 50 1 EGGF N#C/C(=C\NNc1ccccc1)C(=O)Nc1nc2ccccc2s1 45286395 RTZCEFFMXFNBFV-VAWYXSNFSA-N 335.392 3.259 50 1 EGGF COC(=O)CC[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497656 JSNPVBCDBSBVBE-SFHVURJKSA-N 336.815 3.461 50 1 EGGF O=C(N/N=C\c1cccc(Cl)c1Cl)c1ccc(O)c(O)c1 33295844 MZESTJYKBIDGMZ-IDUWFGFVSA-N 325.151 3.169 50 1 EGGF CCOC(=O)NNc1[nH]c(-c2ccc(C)cc2)cc1C(=O)OCC 40897936 KNOFUWSPFVOYCD-UHFFFAOYSA-N 331.372 3.240 50 1 EGGF CCc1cc(C(=O)N[C@H](CCl)c2ccc(Cl)cc2)n(C)n1 103173205 UBPVLQXNBHFEJE-CYBMUJFWSA-N 326.227 3.346 50 1 EGGF O=C(Cc1ccccc1)N/N=C1\C(=O)Nc2c(Cl)ccc(Cl)c21 72179745 VMRHDSHFDACNCO-UHFFFAOYSA-N 348.189 3.009 50 1 EGGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C(F)F)CC[C@@H]([C@H]1C)[C@@]24OO3 195298114 XAPFARHSBSKKAM-FUJGJHSJSA-N 348.386 3.476 50 1 EGGF CC(=O)OC[C@H]1C(C=O)=CC[C@H]2C(C)(C)C[C@H](OC(C)=O)C[C@@]21C 238777259 BWAFOKWXGDOVFA-LSTDLKDCSA-N 336.428 3.069 50 1 EGGF CN(C)CCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1 1772657908 JPQMVFJZJSTHGK-DEDYPNTBSA-N 345.830 3.044 50 1 EGGF CC=C(C=O)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C1=CO 2356486874 HUJVAYKPOUYFBT-QAPCUYQASA-N 336.391 3.201 50 1 EGGF CC(C)(F)[C@@H](Br)c1nc2ccc(S(C)(=O)=O)cc2[nH]1 587087960 ZXDZKHJZILVPEW-JTQLQIEISA-N 349.225 3.151 50 1 EGGF O=C(NN=C(c1ccccc1O)c1ccccc1O)c1ccccc1 113801040 MVJBEPLPPOMRIL-UHFFFAOYSA-N 332.359 3.280 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356745446 ZQLIFPFEXOQKRV-ZSGPHXLJSA-N 346.423 3.298 50 1 EGGF CN1CCN(c2ccc3nc(/C(C#N)=C\c4ccccc4)[nH]c3c2)CC1 587188590 UEMPXHQRXNIKBH-LGMDPLHJSA-N 343.434 3.379 50 1 EGGF O=C1Cc2cc3c(c4c2CCN1[C@]41CCCCC[C@H]1Cl)OCCO3 963270747 QZCBUIFXAIEXPT-BEFAXECRSA-N 347.842 3.165 50 1 EGGF CC1=NN(C(=O)CCl)[C@@H](c2cc(Br)ccc2O)C1 653737441 XWTDBKYHGYCFPW-SNVBAGLBSA-N 331.597 3.043 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586971212 OOCLRVGRVFQKLB-GHMZBOCLSA-N 341.209 3.148 50 1 EGGF COc1ccc(C(=O)C/C=N/NC(=O)c2ccc(Cl)cc2)cc1 169693968 BIFMYBNXHULKQG-YBFXNURJSA-N 330.771 3.337 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 153513580 LLFFQXOEXCHHKX-ZVMMMAAASA-N 344.407 3.218 50 1 EGGF biogenic BrCCCCc1nc2cncc(Br)c2[nH]1 586972149 ILBIZHVDIDDGHG-UHFFFAOYSA-N 333.027 3.438 50 1 EGGF O=CNNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641207 QGPVXQAPDKIVGW-UHFFFAOYSA-N 349.434 3.093 50 1 EGGF O=C(N/N=C/c1ccc(OCc2ccccc2)cc1O)c1ccccn1 95808189 AVYSXEPJZMLKRB-LPYMAVHISA-N 347.374 3.130 50 1 EGGF Cc1ccc(-c2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)o1 586903937 VXQYSJBRPBKCHP-UHFFFAOYSA-N 332.363 3.402 50 1 EGGF NNC(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898338 HCRGTHSDSXLJQT-UHFFFAOYSA-N 344.374 3.206 50 1 EGGF [C-]#[N+][C@@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(CO)c4)c23)C1 1772628234 SFEANHNCEWNVMQ-OAHLLOKOSA-N 333.395 3.005 50 1 EGGF C[C@@H](Br)[C@@]1(C2CCC2)NCCc2nc3ccccn3c21 962987225 VIIUZZMJPOZMOT-BZNIZROVSA-N 334.261 3.259 50 1 EGGF CO[C@]12CCC[C@H](C[C@@](C)(CI)OO1)C2 43393866 YGVVYQRWFQFZLS-OUAUKWLOSA-N 326.174 3.065 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356424255 LLFFQXOEXCHHKX-KURKYZTESA-N 344.407 3.218 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CC=CC(C=O)=C(OC(=O)CCC)C[C@H]12 2356699519 WQFIEBAASGBAFX-NVXWUHKLSA-N 330.380 3.177 50 1 EGGF Oc1nc(O)c2ccc(-c3ccc(CCBr)cc3)nc2n1 587365590 FIQLEILLOBQFJJ-UHFFFAOYSA-N 346.184 3.040 50 1 EGGF CC(=O)O[C@@H]1/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(C)=O)[C@@H]1C(C)C 36423000 IVPDEPJTXZGQDQ-ISRQIGLJSA-N 336.428 3.378 50 1 EGGF Cc1ccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 27212877 CQMTXTITCNLWBB-UHFFFAOYSA-N 327.771 3.456 50 1 EGGF CCCC(=O)NNc1[nH]c(-c2ccc(C)cc2)cc1C(=O)OCC 40900340 RRGNPPCPXTXSNM-UHFFFAOYSA-N 329.400 3.410 50 1 EGGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CCC=C(C)C[C@@H](O)[C@@H]12 2356595607 NLUMRGVTMXPWAA-NCXUSEDFSA-N 332.440 3.365 50 1 EGGF CO[C@@H]1C(=O)N(C/C(C#N)=C/c2ccccc2)[C@@H]1c1ccc(F)cc1 1772626324 SYANSVIYAWEKSK-IQUSIQNSSA-N 336.366 3.331 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 2356563756 BSJGKIXNWXOEIX-LMMKCTJWSA-N 346.423 3.298 50 1 EGGF O=CC1=C[C@@H]2COc3ccccc3[C@H]2[C@]2(C1)C(=O)Nc1ccccc12 1772590258 AOUKVMBBEFQKJM-XWRIVVANSA-N 331.371 3.198 50 1 EGGF C/C(C=O)=C\CC/C(C)=C/CC/C(=C/CC/C(=C\CO)CO)CO 238746621 VNFLLBXVRXBFBT-PDPHCSCKSA-N 336.472 3.248 50 1 EGGF CC(C)N1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C 169347689 FDQOBPGLMOWYTD-IRXDYDNUSA-N 348.493 3.369 50 1 EGGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=O 4369692 YQFYQKHUSBMOSC-NEBPEERISA-N 345.487 3.334 50 1 EGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C/N(C)C)N1 587757330 UNAGVFVYAFOLJQ-XOHDPVGQSA-N 338.224 3.133 50 1 EGGF CCCN1C(=O)[C@@]23SS[C@@]1(C)C(=O)N2c1ccccc1C3(C)C 169347703 JGQAFYURTDRFSE-IRXDYDNUSA-N 348.493 3.371 50 1 EGGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N\NC(N)=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 40423944 VPRFUYXNPXZVCK-MMBZRXEISA-N 347.503 3.414 50 1 EGGF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 587067488 CQRMQEQJOPWAIP-SNVBAGLBSA-N 344.802 3.268 50 1 EGGF CO[C@H]1O[C@@]2(C)OO[C@@]13CCCC[C@@H]3C[C@H]2Cc1ccc(CO)cc1 43450363 BTZOVXWKSBJWMK-SWBPCFCJSA-N 348.439 3.337 50 1 EGGF NNC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587959722 SUGOSRYIYSZBQM-UHFFFAOYSA-N 342.402 3.424 50 1 EGGF O=C(O)c1cccc2c1CCN[C@@]2(CCl)c1ccc(F)cc1F 963119405 DUYMOOIJLSTXLO-QGZVFWFLSA-N 337.753 3.291 50 1 EGGF N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@H]1c1cccc([N+](=O)[O-])c1 40767238 OEHGKAZGVGZZJD-MRXNPFEDSA-N 332.319 3.294 50 1 EGGF COc1cc(OC)c2[nH]c([C@H](Br)C(C)(C)OC)nc2c1 586971431 SCYHPQZWLCZGJQ-LBPRGKRZSA-N 343.221 3.441 50 1 EGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C/N(C)C)N1 587739389 GUCDAVVFGCYXKD-LLXWBOJBSA-N 338.224 3.133 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1 586970780 GQTAPYWCPUDMRL-JTQLQIEISA-N 327.178 3.122 50 1 EGGF O=C(CCc1ccc(F)cc1)N[C@@H](Cc1ccccc1)C(=O)CCl 26155030 GKDRALDYQTVKRT-KRWDZBQOSA-N 347.817 3.294 50 1 EGGF COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(C)cc41)[C@@H](C2)C3=O 587427649 DTRJTQQCAXLQFU-HRAATJIYSA-N 345.354 3.446 50 1 EGGF NNC(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587970074 YGPWVCYNTYOZMP-PKNBQFBNSA-N 328.375 3.490 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)ccc21 586906911 HHWAYRGSLNTNGF-UHFFFAOYSA-N 334.118 3.242 50 1 EGGF BrCCCCc1nc2cc(Br)cnc2[nH]1 586972044 CWDDVAOZCMNAJA-UHFFFAOYSA-N 333.027 3.438 50 1 EGGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1ccccc1C 1857642217 KHBISDBWPFJBLD-NWLVNBMCSA-N 339.355 3.107 50 1 EGGF COc1c(Cc2ccccc2)cc(O)n1-c1ccnc(CCl)n1 587939837 JVXXKLAJZLVJKW-UHFFFAOYSA-N 329.787 3.311 50 1 EGGF CN(NC(=O)C(=O)c1c[nH]c2ccc(Cl)cc12)c1ccccc1 27300168 FEKREINEPUSSIJ-UHFFFAOYSA-N 327.771 3.172 50 1 EGGF CC=C(C)C(=O)O[C@@H]1C=C(C=O)[C@@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C=O 2356610569 PUBAKVPNGHNJCR-AOJZQBIQSA-N 330.424 3.261 50 1 EGGF CCNc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc([N+](=O)[O-])c1 34020841 PJALAUKPEGQVBX-KRWDZBQOSA-N 336.351 3.245 50 1 EGGF CC(OCC(=NNC(N)=O)c1ccccc1)=C(C#N)c1ccccc1 2356320400 DSFONTMHPQRKNF-UHFFFAOYSA-N 334.379 3.030 50 1 EGGF O=C(NNC(=S)Nc1c(F)cccc1F)c1cccc(Cl)c1 66100504 AYKLTOXTRAXDGM-UHFFFAOYSA-N 341.770 3.250 50 1 EGGF CC1=C(C#N)[C@@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C(F)F)N1 68251010 ARZKBMOZBFWWFP-OAHLLOKOSA-N 325.322 3.398 50 1 EGGF CO[C@@H]1C[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@@H](O)C=C1C=O 2356688697 JKAXWKMSLAMQBR-RTJWASAASA-N 348.483 3.033 50 1 EGGF CS/C(NC1CCCCC1)=C(\C#N)S(=O)(=O)c1ccccc1 33407138 NEDXHMASMQEIAR-FOCLMDBBSA-N 336.482 3.438 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](C)(C(=O)CBr)CC2=O 587456093 KNGXQDLPZICJHS-OAHLLOKOSA-N 341.201 3.033 50 1 EGGF COc1ccc2c(c1OC)[C@@](CCl)(C(C)(C)OC)N(C)[C@@H](C)C2 962627306 LHQBPSAMMYOFKK-SGTLLEGYSA-N 341.879 3.439 50 1 EGGF CN(C)CCSSCCCNC(=O)c1ccc(F)c(F)c1 618007783 IDDYMJSTVGYACP-UHFFFAOYSA-N 334.457 3.028 50 1 EGGF O=C(NNc1ccc(F)cc1)C(=O)c1c[nH]c2ccc(Cl)cc12 27303021 NQDOXBLKKVGCCM-UHFFFAOYSA-N 331.734 3.286 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@H]1C(=O)C=C(C=O)[C@@H]2C=CC1=CCOC1=O 2356482663 RFLFJWXIHDVQJA-RIFZZMRRSA-N 328.408 3.183 50 1 EGGF C=C1C[C@@]2(C(=O)O)C[C@H]1CC[C@]2(C)[C@@H]1CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 2356387005 DNDDGKFGWMYCIM-MQPCCCAWSA-N 346.423 3.330 50 1 EGGF CC(=O)O[C@@H]1CC(C(=O)O)=CCC[C@@](C)(OO)C=CC(C)(C)C1 2356469405 LYHUJTYIUUDDLM-RHSMWYFYSA-N 326.389 3.334 50 1 EGGF O=C(Cl)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 40892553 WHYQJUSKJVBKQB-UHFFFAOYSA-N 327.723 3.424 50 1 EGGF CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]32[C@H]1O4 169340675 NEWNOEXLDGMFRU-NODUADNCSA-N 337.460 3.336 50 1 EGGF C/C(C=O)=C\c1cc(O)c(O)c(Br)c1Br 13450205 RVHAGJMRVKDMPS-GORDUTHDSA-N 335.979 3.225 50 1 EGGF O=C1C(CC#CCCl)C(=O)N(c2ccccc2)N1c1ccccc1 27648691 SQJBAWAXXGEMPL-UHFFFAOYSA-N 338.794 3.230 50 1 EGGF CNc1nc(C)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653893419 DHNORUNJXMJPRZ-FBCYGCLPSA-N 342.346 3.276 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cccc(C(=O)O)c2[nH]1 586971244 PCSLPJHKESTENF-JTQLQIEISA-N 327.178 3.122 50 1 EGGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1cccc(O)c1 1772584046 FPCHFZVDFFNZAE-UHFFFAOYSA-N 340.408 3.033 50 1 EGGF O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccn1 33285617 SMEPYGYOHRXIGF-CGZFJWOTSA-N 330.185 3.233 50 1 EGGF C=CCc1ccccc1OCC(=O)N/N=C\c1ccccc1OCC 13113745 YBICWEYHFIQRRT-STZFKDTASA-N 338.407 3.343 50 1 EGGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@H]2OC 2356307722 NCJDUNOKUIFHSN-PRFSMCDRSA-N 343.261 3.069 50 1 EGGF BrCCCCc1nc2ccc(Br)nc2[nH]1 586972349 NDMILWNLLVNKMG-UHFFFAOYSA-N 333.027 3.438 50 1 EGGF CC1(C)O[C@]2(C)[C@H]3CC[C@@](C)(O[C@@H]2C[C@@H]1Br)[C@@H](O)C3 2356578188 IFRYZAZPOYZDBK-WKKWAXIPSA-N 333.266 3.026 50 1 EGGF CC(/C=N\NC(=O)c1cc(-c2cccn2C)n[nH]1)=C\c1ccccc1 33284296 WXCPVGSUCJEGEE-GKDFUCBUSA-N 333.395 3.234 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cc(Br)cc(F)c2[nH]1 587009533 KFNAJWAMUYLTPX-UHFFFAOYSA-N 348.603 3.055 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@]42OO3 43366308 VTVOEKXJXVLZMI-PIYBUOJLSA-N 348.386 3.476 50 1 EGGF Cn1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587497140 HGRKXILDFKPQLQ-GOSISDBHSA-N 330.815 3.398 50 1 EGGF Cc1ccc(NC(=O)CCC(=O)N/N=C\c2cccs2)cc1C 15985768 SGLLXCIDTBFLLX-WQRHYEAKSA-N 329.425 3.234 50 1 EGGF CC(C)N1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@@H](c3ccccc3)[C@@H]2C1 169686630 RLMOYIRFTKYFHQ-MOPGFXCFSA-N 343.434 3.388 50 1 EGGF COC(=O)[C@H]1CC(c2ccccc2)(c2ccccc2)OO[C@]1(C)OC 1857541868 FPOIUWHZBVVNKA-MJGOQNOKSA-N 342.391 3.434 50 1 EGGF COc1ccccc1-c1cc(O)n(-c2ccnc(CCl)n2)c1O 587939145 BWDRWDTUDVWRQK-UHFFFAOYSA-N 331.759 3.093 50 1 EGGF CN(C)CCOc1ccc(C(=O)N/N=C/c2cccc(Cl)c2)cc1 1772635948 RJMGKEFMGRGODH-DEDYPNTBSA-N 345.830 3.044 50 1 EGGF C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@@H](C)OC(=O)CCl)[C@@H]3C[C@H]12 103202720 PTKFUNXZYQMYMW-BAGJBDQPSA-N 326.820 3.081 50 1 EGGF COc1cccc(CCC(=O)N/N=C/c2cc(C)c3ncccc3c2)n1 115596865 PPBPMECPLWSNMY-LPYMAVHISA-N 348.406 3.030 50 1 EGGF COC(=O)c1ccc(Oc2ccc3nc([C@H](N)CCl)[nH]c3c2)cc1 587009893 CSFYFBDMJOTMBZ-CYBMUJFWSA-N 345.786 3.380 50 1 EGGF Cc1cccc(/C=N\NC(=O)[C@H](C)Nc2cccc3ccccc23)n1 8581723 SOAGHVVXWUSYSB-MNAFEPAFSA-N 332.407 3.494 50 1 EGGF O=C(NNc1ncnc2sc3c(c12)CCCC3)c1ccccc1O 39054514 HNQSUPCKQKMBTF-UHFFFAOYSA-N 340.408 3.033 50 1 EGGF O=C(N/N=C/c1cccc(Cl)c1)c1c[nH]c2c(F)cccc2c1=O 653875560 ZLJFERZCNROQEV-ODCIPOBUSA-N 343.745 3.085 50 1 EGGF COc1ccc(/C(C#N)=C\c2cc(OC)c(OC)c(OC)c2)cc1N 13780605 NXBDAMMMZNUWMG-AUWJEWJLSA-N 340.379 3.367 50 1 EGGF C[C@H](Cl)C(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 201464059 XEUQCOOBRQZZES-GUYCJALGSA-N 348.874 3.046 50 3 EGGF O=C1O[C@@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3 96934032 ISPWWFAGMPWYHY-AHCXZYCDSA-N 332.327 3.110 50 1 EGGF CCCCCCCC(=O)N(C)/N=C1\CC2(CCN(C)CC2)O[C@@H]1C 36289045 UKHXDKWOIQBSBZ-HNOLQLOCSA-N 337.508 3.435 50 1 EGGF CN1CCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 40656196 HCSZVBRUNPSSNQ-LICLKQGHSA-N 328.419 3.281 50 1 EGGF C[C@]12CC[C@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 103020521 QNFBRAUABUUJFL-DGAVXFQQSA-N 327.174 3.453 50 1 EGGF O=C(N/N=C\C(Cl)=C\c1ccccc1)c1ccc2c(c1)OCO2 33473119 FITKIYNOJBCGBQ-SRWVNKSMSA-N 328.755 3.411 50 1 EGGF CCCCCCNC(=O)N/N=C/c1ccc2c(c1)[N+](=O)C(C)(C)N2O 377795131 DDNVZNSSVLZMDP-XDHOZWIPSA-O 348.427 3.256 50 1 EGGF C[C@@H](c1ccc(CBr)cc1)c1nc2cnnc(O)c2[nH]1 586974512 XDIRSOMMNWQLFU-QMMMGPOBSA-N 333.189 3.105 50 1 EGGF CCCc1c(O)ccc2c1O[C@](C)([C@H](Cl)C(=O)OCC)CC2=O 587458023 FGCFHKZTIVUNBQ-WBVHZDCISA-N 340.803 3.239 50 1 EGGF CC[C@]1([C@H](Cl)C(=O)OC)CC(=O)c2ccc3c(c2O1)CCCC3 587498587 OSQRCNZJFPPZAF-SJLPKXTDSA-N 336.815 3.460 50 1 EGGF C#CC=C[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2Cl 2356800809 QHSXRNNSCRZFCI-KYTCRMMBSA-N 333.653 3.272 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 195284738 BAJSYLWSYBXRPS-RIRVAXOWSA-N 326.433 3.009 50 1 EGGF CCc1nc(C)c(/C=C2\C(=O)N(C)c3ccc(C(=O)CCl)cc32)[nH]1 72105907 OMDKCTZTNZMTGU-JYRVWZFOSA-N 343.814 3.219 50 1 EGGF CCCC[C@@H](/C=N/NC(=O)N(CC)CC)NC(=O)OC(C)(C)C 28570901 FIRCULQOTGHQIZ-VLURKWGBSA-N 328.457 3.107 50 1 EGGF COc1cc(-c2oc3c(O)cc(/C=C/C=O)cc3c2CO)ccc1O 238786784 DZHZUDBDCBSWBC-NSCUHMNNSA-N 340.331 3.224 50 1 EGGF N#CC1=C2S[C@H]3CCCC[C@]3(O)N2C(=O)[C@H](C#N)C12CCCCC2 1087508 WEZAFGUZTDLBAS-XAYKYTGQSA-N 343.452 3.032 50 1 EGGF O=C(NCc1ccccc1)c1cc2cc(CCl)ccc2oc1=O 26575194 DISTXGVPYGLFMU-UHFFFAOYSA-N 327.767 3.462 50 1 EGGF N#CC1=C(N)[C@H]2[C@@H](c3ccccc3)c3ccc(O)cc3O[C@@H]2CC1=N 169718733 QCYGMIMYVDIWAD-CEXWTWQISA-N 331.375 3.061 50 1 EGGF C#C/C=C/C[C@@H]1O[C@H]2C[C@@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2OC 140542693 NCJDUNOKUIFHSN-DLZREPTRSA-N 343.261 3.069 50 1 EGGF COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cc1N 19594 NBGTZBKNZLIMFN-AUWJEWJLSA-N 340.379 3.367 50 1 EGGF CC1(C)C[C@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@H]1Br 253667186 KZRDDGGREUNDMV-RJZRQDKASA-N 331.250 3.358 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169371123 SPQAXOKESMSRHK-CDRIZAFTSA-N 347.411 3.478 50 1 EGGF Cn1cc(/C=N\NC(=O)c2cn(C)c3ccccc23)c2ccccc21 1857550916 LOMNNQWZXDPNJH-NHDPSOOVSA-N 330.391 3.434 50 1 EGGF CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCCBr)C(=O)O 26027406 MHIOMBZRFCOZBZ-HQQGHWSLSA-N 346.265 3.463 50 1 EGGF CCCc1c(O)ccc2c1O[C@@H](c1cnn(CCCl)c1)CC2=O 587460017 KPRCXBZRGYACCP-MRXNPFEDSA-N 334.803 3.487 50 1 EGGF CCOC(=O)c1c(O[C@H]2CCCC[C@H]2Cl)c(CC)c(C)[nH]c1=O 45496415 IPLZOSSJDKECDW-OLZOCXBDSA-N 341.835 3.351 50 1 EGGF COc1cc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)ccc1O 13864054 BRUGGNNAZKZYBS-UDWIEESQSA-N 326.396 3.462 50 1 EGGF O=C(NNC(=S)Nc1cccc2ccccc12)c1ccccc1O 111901946 LCZYFYJSNIKQDG-UHFFFAOYSA-N 337.404 3.177 50 1 EGGF COCc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OC 33309774 HZYCIDUHAKNDRU-GRSHGNNSSA-N 332.787 3.259 50 3 EGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(O)cc1)[C@@H](C2)C3=O 587418001 QYLPJLYDKOBVBY-KBXCAEBGSA-N 330.767 3.283 50 1 EGGF CS(=O)(=O)c1ccc2[nH]c(CBr)c(C3CC3)c2c1 587648872 NGVVNAKBKALOAA-UHFFFAOYSA-N 328.231 3.344 50 1 EGGF COc1cc2nc([C@@H](Br)C(C)(C)OC)[nH]c2cc1OC 586971263 PJJZKMKLOBBTTI-GFCCVEGCSA-N 343.221 3.441 50 1 EGGF CCc1[nH]c2ccc(S(C)(=O)=O)cc2c1CCBr 587649716 XYCBMZASMDAQMY-UHFFFAOYSA-N 330.247 3.071 50 1 EGGF O=C1Cc2cc3c(c4c2CCN1[C@]41CCCCC[C@@H]1Cl)OCCO3 963270755 QZCBUIFXAIEXPT-KXBFYZLASA-N 347.842 3.165 50 1 EGGF C#C[C@@]12C=C(C#N)C(=O)C=C1[C@]1(C)C=C(C#N)C(=O)C(C)(C)[C@H]1CC2 43553026 ISZIRXMFUSQQOS-MAODMQOUSA-N 330.387 3.040 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)O[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 84713433 DIROJHMPECHEBM-WMZOPIPTSA-N 344.370 3.437 50 1 EGGF CN1CCC[C@H]1/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 100785026 MFQDXAUZLDKXQW-BSHRGCEOSA-N 339.317 3.074 50 1 EGGF C[C@H](CCl)NC(=O)Nc1ccc(I)cc1 13529594 AKFJMJCPLGBEPB-SSDOTTSWSA-N 338.576 3.040 50 1 EGGF CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)NC2CCCC2)cc1 84615479 BYAXIPHVRYGAPT-CQSZACIVSA-N 331.460 3.262 50 1 EGGF Cc1cc2nc(C(C#N)=Cc3ccc(OCC(N)=O)cc3)[nH]c2cc1C 1857590529 IKHHFMPKXFNJTE-UHFFFAOYSA-N 346.390 3.108 50 1 EGGF CC1=C(C#N)[C@@H](c2ccc3[nH]ncc3c2)C(C#N)=C(C(F)(F)F)N1 116588027 PDMGTSVIIWGIAY-CQSZACIVSA-N 329.285 3.387 50 1 EGGF COc1c2c(cc3occc13)OC1(CCCCC1)C/C2=N\NC(N)=O 64453453 MFAHLHPEZBDUIU-UDWIEESQSA-N 343.383 3.299 50 1 EGGF NC(=O)N1c2ccccc2C[C@@H](OC(=O)CCl)c2ccccc21 26575047 YGQRITUGYXRHJN-OAHLLOKOSA-N 330.771 3.283 50 1 EGGF CC(=O)C[C@@H]1O[C@H]([C@](C)(O)C=CC=O)[C@@H]2[C@H](C(C)C)CC=C(C)[C@H]12 2356470315 WOPYCONSOPPLRW-YDETXVTLSA-N 334.456 3.094 50 1 EGGF CC[C@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414769 OIYSWXYSFUYGLX-IYYOCNSZSA-N 325.202 3.375 50 1 EGGF O=C(O)CCCc1ccc(N(CCCl)CCCl)c([N+](=O)[O-])c1 43059303 OPMWLAJJXGJDBH-UHFFFAOYSA-N 349.214 3.286 50 1 EGGF C[C@@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 95555873 QNFBRAUABUUJFL-RQJABVFESA-N 327.174 3.453 50 1 EGGF COc1cccc([C@@]2(CCCCl)c3c(cnn3C)CCN2C)c1 963954193 HNJQLMMEOOBKBO-SFHVURJKSA-N 333.863 3.179 50 1 EGGF O=C(NN/C=C1\C=NN=C1c1ccc(Cl)cc1)c1cccs1 103838723 PVVKSFZUATYEML-PKNBQFBNSA-N 330.800 3.009 50 3 EGGF C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)/C(C)=C\C 238756591 PKELIJXLXBJDKX-IKRCMPALSA-N 346.423 3.464 50 1 EGGF COC(=O)c1ccccc1SSc1n[nH]c(-c2cccnc2)n1 103208506 ACFKPKLWNGKLRZ-UHFFFAOYSA-N 344.421 3.453 50 1 EGGF Cc1cccc(OC(C)(C)C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c1 43075223 AQBZSAYANCSCSZ-XDHOZWIPSA-N 341.367 3.211 50 1 EGGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccncc1 88507 BQZVLMBITAOAEF-AWEZNQCLSA-N 349.781 3.343 50 1 EGGF Cc1nc(NNC(=O)c2ccccn2)c2c3c(sc2n1)CCCC3 1772611327 QMAMSBTYCHYLMK-UHFFFAOYSA-N 339.424 3.030 50 1 EGGF Cc1ccc(NC(=O)CCC(=O)N/N=C\c2ccc(C)o2)c(C)c1 38199650 UKDYWCMFIIYJNB-ODLFYWEKSA-N 327.384 3.074 50 1 EGGF CC(NCCCOc1cccc(CN2CCCCC2)c1)=C(C#N)C#N 40514372 PXJDFUGYGCEWKH-UHFFFAOYSA-N 338.455 3.352 50 1 EGGF Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCC(N)=O)cc3)nc2c1C 73313231 VRZXSCDNQGABMH-DHDCSXOGSA-N 346.390 3.108 50 1 EGGF COC(=O)c1ccccc1SSc1nc(C)c(C(=O)OC)[nH]1 1857753059 VFZRILBEQTVXPE-UHFFFAOYSA-N 338.410 3.091 50 1 EGGF N=C(N)Nc1ccccc1SSc1ccccc1NC(=N)N 1571141 UUGWBZHJUJKMHH-UHFFFAOYSA-N 332.458 3.097 50 1 EGGF CN1C(=O)CN=C(c2ccccc2F)c2cc(N=C=S)ccc21 1657827 PQIJBZIUBYWOTM-UHFFFAOYSA-N 325.368 3.374 50 1 EGGF CC1(C)O[C@]2(C)[C@@H]3CC[C@](C)(O[C@@H]2C[C@H]1Br)[C@@H](O)C3 238780938 IFRYZAZPOYZDBK-XFWGRBSCSA-N 333.266 3.026 50 1 EGGF CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4 58689376 NEWNOEXLDGMFRU-MDBUGZKMSA-N 337.460 3.336 50 1 EGGF CC(=O)OC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@]12C 13485580 BWAFOKWXGDOVFA-YWTNHNAXSA-N 336.428 3.069 50 1 EGGF biogenic C/C1=C\C=C(\[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 34059394 QFVXFKRYGGAMLR-RKXQBWRJSA-N 334.456 3.239 50 1 EGGF CC(C)c1cc2c(c(O)c1O)[C@@]1(C(=O)NN)CCCC(C)(C)[C@@H]1CC2 1857580272 ONFMISOYJGYDNT-VBKZILBWSA-N 346.471 3.221 50 1 EGGF COc1cc2c3c(c1)O[C@@H]([C@@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O 587420554 KVVJKYIUHCUXCT-VBHSOAQHSA-N 332.783 3.303 50 1 EGGF CC(C)Oc1cc2nc([C@H](N)CCl)[nH]c2cc1Br 587009468 HANFAKIUKJWCID-MRVPVSSYSA-N 332.629 3.351 50 1 EGGF Cc1ccc(C(=O)N/N=C/c2cccc(Br)c2)c(O)c1 98084861 SHTOKWMICRKKMX-RQZCQDPDSA-N 333.185 3.227 50 1 EGGF C[C@@H](Cl)C(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498492 OAFBEHQEHAUBIY-ADLMAVQZSA-N 335.831 3.033 50 1 EGGF O=C(CSc1cc(Cl)ccc1Cl)NN/C=C1/C=CC=N1 96170011 VWNTVBUUMIYLON-YFHOEESVSA-N 328.224 3.188 50 3 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H](C3=C(O)C(=O)OC3)C[C@@H]12 2356658525 VBNSOLWVHSCXLZ-LMCGPQHNSA-N 345.233 3.103 50 1 EGGF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C(\C)C#N)c1 34080940 OUZICQFVNTVEIY-JLHYYAGUSA-N 349.434 3.470 50 1 EGGF CO[C@]12CCC[C@H](C[C@](C)(CI)OO1)C2 43393863 YGVVYQRWFQFZLS-GMTAPVOTSA-N 326.174 3.065 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4C(C)=C(F)C[C@@H]([C@H]1C)[C@@]42OO3 169371266 ITLKWCXLCCFOJL-HDMKFGCJSA-N 328.380 3.448 50 1 EGGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCc1cc2ccccc2[nH]1 103245073 RVAJTBPMHKLNQX-VGOFMYFVSA-N 334.331 3.229 50 1 EGGF CC(=O)[C@@H]1CC[C@@H](C)C2(C1)OOC1(C[C@H](C(C)=O)CC[C@H]1C)OO2 64527321 IQQIZKGKWHWJES-NOIGXSNHSA-N 340.416 3.339 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cccc(OC(F)(F)F)c2[nH]1 587009816 USYWWKPEFABGRU-UHFFFAOYSA-N 335.713 3.052 50 1 EGGF O=C(C/C=N/NC(=O)c1ccccc1)c1ccc(Br)cc1 169688038 CTJJRUJPJLISIS-WOJGMQOQSA-N 345.196 3.438 50 1 EGGF COC(=O)C=C(C(C)=O)[C@@H]1CC[C@](C)(Cl)[C@H](Br)C1 2356478075 QTMNXLZAJOBDAZ-XWIASGKRSA-N 337.641 3.236 50 1 EGGF CC(=O)O[C@H]1CC(C=O)=CCCC(C)=C[C@@H](OC(C)=O)[C@H]1C(C)C 2356650528 IVPDEPJTXZGQDQ-CEXWTWQISA-N 336.428 3.378 50 1 EGGF Cc1c(Br)ccc2nc(C(C)(C)NC(=O)CCl)[nH]c12 587009319 ZUPSFALIHQDRNM-UHFFFAOYSA-N 344.640 3.224 50 1 EGGF NNC(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085395 QJBIJPITHFDQGL-UHFFFAOYSA-N 337.770 3.035 50 1 EGGF N#C/C(=C\C(=O)NCCc1ccc(O)cc1)c1ccc(Cl)cc1 13799952 IOJIRSINRLJARZ-RVDMUPIBSA-N 326.783 3.311 50 1 EGGF COC(=O)C=C(C(C)=O)[C@@H]1CC[C@](C)(Cl)[C@@H](Br)C1 2356478072 QTMNXLZAJOBDAZ-CDMKHQONSA-N 337.641 3.236 50 1 EGGF CO[C@]1(c2ncc(F)cc2OC(F)F)C=C(C#N)C(=O)C(C)(C)C1 1857594971 SBUONPYJIJURMT-MRXNPFEDSA-N 340.301 3.113 50 1 EGGF CCCCCCC[C@@]1(C)O[C@@H]2OC(=O)N(C(=O)CCl)[C@@H]2CC1=O 44247208 AJWRAKUGPFEKDY-DIOULYMOSA-N 345.823 3.007 50 1 EGGF CCCCCC[C@H](CBr)n1cnc2c(N)ncnc21 12405465 GENISLGGIWRJOM-SNVBAGLBSA-N 326.242 3.315 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C(F)F)CC[C@@H]([C@H]1C)[C@]42OO3 58601919 XAPFARHSBSKKAM-GIMVAYTPSA-N 348.386 3.476 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(/C)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12 238734097 LLFFQXOEXCHHKX-NFQVSHNQSA-N 344.407 3.218 50 1 EGGF CCCCCO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl 205339074 GJWYIBCUPMZGSZ-ODXCJYRJSA-N 347.223 3.417 50 1 EGGF CC[C@@H]1CN2C=Cc3c([nH]c4ccccc34)C2=C2OC(=O)C(C=O)=C21 1857639854 LJIMEAIMPXWJIN-LLVKDONJSA-N 332.359 3.215 50 1 EGGF Nc1ccc(N(CCBr)CCBr)c(F)c1 27558763 OPXHGLVIDJVRMJ-UHFFFAOYSA-N 340.034 3.004 50 1 EGGF COC[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587688747 NTMPNYOILITBGJ-AMIZOPFISA-N 336.632 3.203 50 1 EGGF COc1ccc2c(c1OC)[C@](CCl)(C(C)(C)OC)N(C)[C@H](C)C2 962627304 LHQBPSAMMYOFKK-KZULUSFZSA-N 341.879 3.439 50 1 EGGF [C-]#[N+][C@H]1C(C)=NC(C(F)F)=C(C#N)[C@@H]1c1cc2c(N)nccc2o1 169698722 IGOZHMVYVXYCSV-OLZOCXBDSA-N 327.294 3.299 50 1 EGGF CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@@H](O)C=C1C=O 136085190 MAZBZBIKZVXXQP-IJERAIBMSA-N 346.467 3.239 50 1 EGGF C=C1C(=O)O[C@H]2CC(C=O)=CCCC(COC(=O)CC(C)C)=CC[C@H]12 2356676803 ZIISLDTWBFIFEJ-MSOLQXFVSA-N 346.423 3.299 50 1 EGGF CC1(C)C[C@@H]([C@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br 137748565 KZRDDGGREUNDMV-JURCDPSOSA-N 331.250 3.358 50 1 EGGF CC(=N)/C(C#N)=C(/O)COc1ncnc2ccc(Br)cc12 101616703 PKMQJWLIHPAZGM-BVFUVBBOSA-N 347.172 3.146 50 1 EGGF CCNC(=S)NNC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1 103200024 KAKLITAJQIRQKT-LBPRGKRZSA-N 345.443 3.111 50 1 EGGF N#CC1=C2S[C@H]3CCCC[C@]3(O)N2C(=O)[C@@H](C#N)C12CCCCC2 4125512 WEZAFGUZTDLBAS-UVBSCNOISA-N 343.452 3.032 50 1 EGGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(N2CCCCC2)CC1 7991697 MYRYEHQHXYLMED-UHFFFAOYSA-N 333.388 3.044 50 3 EGGF CCCN(C(=O)CCl)[C@H]1CCc2cc(OC)c(OC)cc2C1 29553254 POJSEDBWYJIJGR-AWEZNQCLSA-N 325.836 3.039 50 1 EGGF COc1c(O)cc2c3c(ccc(-c4ccc(O)cc4)c13)C(=O)OC2=O 43068270 RKEVKIMMOMGXDS-UHFFFAOYSA-N 336.299 3.237 50 1 EGGF biogenic CCC(=O)NCCc1c(OC(=O)CCl)ccc2ccc(OC)cc12 13775876 VCUPVUDJKVDTBD-UHFFFAOYSA-N 349.814 3.061 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)[C@@H](C)CC)=CC[C@@H]12 2356380394 DLWCLJQUSIBFQH-DOPJRALCSA-N 346.423 3.299 50 1 EGGF CC1=C(C=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C 2356397103 GURCDXIUUOFINM-LXGOIASLSA-N 340.375 3.283 50 1 EGGF CC1(C)OO[C@H]2O[C@@]3(C)CC[C@@H]4[C@](C)(N=C=S)CC[C@@H]1[C@@]24O3 2356800278 PWRLKXBVXOTKON-ONSZXBOBSA-N 325.430 3.236 50 1 EGGF CCOC(=O)/C(C#N)=C(\CC(=O)c1ccccc1)N1CCCCC1 96932229 VGLWVBWXBZWXJE-WUKNDPDISA-N 326.396 3.086 50 1 EGGF Cc1ccc2c(ccc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c32)n1 586907178 UCZFEYULZWCFIB-UHFFFAOYSA-N 329.315 3.397 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)C(C#N)=COc2ccc(F)cc21 587383766 GFFHLXNWHLWUHL-LJQANCHMSA-N 336.322 3.377 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C\C)[C@@H]12 104356888 LLFFQXOEXCHHKX-BHXQIOACSA-N 344.407 3.218 50 1 EGGF endogenous,in-man C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@@H]2OC 2356307723 NCJDUNOKUIFHSN-XMEMRUQMSA-N 343.261 3.069 50 1 EGGF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NNC(N)=O)CC[C@H]12 2356732316 AIMQMSBWBNRJGW-SLEOWIPXSA-N 347.503 3.414 50 1 EGGF C[C@@]1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)OO1 49694507 SUYWBFYEHQMEKH-QGZVFWFLSA-N 348.399 3.415 50 1 EGGF C=CCOC(=O)/C(C#N)=C(/NCc1ccc(Cl)nc1)SCC 103186421 AJUFEAGYIQEQIL-OWBHPGMISA-N 337.832 3.042 50 1 EGGF C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc[nH]1 57453997 LJOJIQVJHRVMLK-GIJQJNRQSA-N 326.183 3.241 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cccc([N+](=O)[O-])c2[n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l 103202717 PTKFUNXZYQMYMW-WTCIVVCESA-N 326.820 3.081 50 1 EGGF CC=C(C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)C1=CO 2356486872 HUJVAYKPOUYFBT-CRAIPNDOSA-N 336.391 3.201 50 1 EGGF COc1cc2c3c(c1)O[C@](CBr)(CC1CC1)[C@@H](C2)C3=O 587414871 PDWVIXIZWVZZBT-LRDDRELGSA-N 337.213 3.376 50 1 EGGF CCCC(=O)NNc1[nH]c(-c2ccc(OC)cc2)cc1C(=O)OCC 40402921 ZHAMCOBMFSUNMT-UHFFFAOYSA-N 345.399 3.110 50 1 EGGF COc1cc2nc([C@H](Br)C(C)(C)OC)[nH]c2cc1OC 586971266 PJJZKMKLOBBTTI-LBPRGKRZSA-N 343.221 3.441 50 1 EGGF O=C(NNc1ncnc2sc3ccccc3c12)c1ccccc1O 1772588447 SDCMKVXHYSKWDJ-UHFFFAOYSA-N 336.376 3.307 50 1 EGGF CC(C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@@]2(C(=O)O)CC1 14497160 ALNWABXUYKIYJF-VDGAXYAQSA-N 330.424 3.420 50 1 EGGF biogenic CCOC(=O)c1c([C@H](C)Br)[nH]c2c(C(=O)O)cccc12 587637270 ZDGCDHDLMXHALQ-ZETCQYMHSA-N 340.173 3.499 50 1 EGGF CCC#C[N@+]1(Cc2nc(-c3ccc([C@@H](N)N=O)cc3)cs2)COO1 958043829 IPWYCENVINKXEY-JXFKEZNVSA-N 345.404 3.056 50 1 EGGF CSc1ccc(-c2ccc(C(=O)NNC(=O)c3ccco3)o2)cc1 1857770918 VFHZWRHQWHBQKU-UHFFFAOYSA-N 342.376 3.336 50 1 EGGF O=C(/C=C(/Cl)Br)C(Br)Br 238780551 GIAATCHAXNKIIH-HNQUOIGGSA-N 341.224 3.147 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCO3 586971836 ZQEXRMUEFZAMAI-LLVKDONJSA-N 327.178 3.153 50 1 EGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C/N(C)C)N1 587742874 UNAGVFVYAFOLJQ-LLXWBOJBSA-N 338.224 3.133 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238784198 ZQLIFPFEXOQKRV-SWYIJRFMSA-N 346.423 3.298 50 1 EGGF C=C(C)C(=O)O[C@@H]1/C=C(\C)CC[C@@H](OO)C(=C)C[C@@H]2OC(=O)C(=C)[C@H]21 238749393 ZKQWDJFVKBUBDS-AQHMRBQLSA-N 348.395 3.117 50 1 EGGF O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1Cl 1632070 PEIGGLUKUOJXLG-HOTGVXAUSA-N 349.217 3.105 50 1 EGGF COc1cc(CBr)cc2c1C(=O)c1c(O)cccc1C2=O 29341388 OPPWKFBLDSSZLE-UHFFFAOYSA-N 347.164 3.071 50 1 EGGF COC(=O)C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409247 LVRGUQAGAQFPTR-CQSZACIVSA-N 343.335 3.237 50 1 EGGF CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]32[C@H]1O4 100863909 NEWNOEXLDGMFRU-SSGRTQLWSA-N 337.460 3.336 50 1 EGGF CN(C)CCSSCCn1cc(-c2ccc(F)c(F)c2)nn1 618009829 LEIQAXZFBNJIQO-UHFFFAOYSA-N 344.456 3.166 50 1 EGGF COc1cccc(/C=N/NC(=O)Nc2c(C)cccc2C)c1OC 169335064 IZBYOCKJPYHSRL-YBFXNURJSA-N 327.384 3.476 50 1 EGGF CO[C@@H]1C[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@]2(C)[C@H](O)C=C1C=O 2356688696 JKAXWKMSLAMQBR-RNGIFEMVSA-N 348.483 3.033 50 1 EGGF C/C(=N/NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccccc1 6373777 MVYAHXRJPDKDMQ-AQTBWJFISA-N 343.408 3.368 50 1 EGGF O=C(CCC(=O)Nc1ccccc1Cl)N/N=C\c1ccccc1 33348961 ZWKOMYUALCFNRT-UNOMPAQXSA-N 329.787 3.209 50 1 EGGF COC(=O)c1cc(Br)c2[nH]c(CBr)nc2c1 586970966 JGXISRBMBRGAMR-UHFFFAOYSA-N 347.994 3.007 50 1 EGGF CC(=O)O[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409011 FPKFDUUEZAGMKN-INIZCTEOSA-N 329.308 3.195 50 1 EGGF COc1ccc(/C=C/C=O)c(OC(=O)c2ccccc2OC(C)=O)c1 1857766692 CRTBQUQTWDTQLN-AATRIKPKSA-N 340.331 3.052 50 1 EGGF Cc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 96933728 NGZMHIXITFUAIC-FMQUCBEESA-O 331.399 3.206 50 1 EGGF Cc1cc(Br)cc2nc(C(C)(C)NC(=O)CCl)[nH]c12 587008946 SKMYXECGTPLGCM-UHFFFAOYSA-N 344.640 3.224 50 1 EGGF CN1CCN(c2ccc3nc(/C(C#N)=C/c4ccccc4)[nH]c3c2)CC1 587188588 UEMPXHQRXNIKBH-GHRIWEEISA-N 343.434 3.379 50 1 EGGF CN(C)CCSSCCNC(=O)Nc1ccc(Cl)cc1O 618007780 PYQYBTDHCJKILZ-UHFFFAOYSA-N 349.909 3.110 50 1 EGGF COc1cc2c3c(c1)O[C@](CBr)(C1CCC1)[C@@H](C2)C3=O 587411093 BNRZCIJIWKFXCT-BLLLJJGKSA-N 337.213 3.376 50 1 EGGF Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)nc2c1C 72170715 VRZXSCDNQGABMH-OQLLNIDSSA-N 346.390 3.108 50 1 EGGF CC(=O)[C@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499334 MAMAZWBYPFPYGQ-MRXNPFEDSA-N 337.213 3.253 50 1 EGGF COc1cccc(C(=O)N/N=C(/c2ccccc2)c2ccccn2)c1 369582 MDECPEJRIVFAAD-QOCHGBHMSA-N 331.375 3.273 50 3 EGGF Nc1cccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1 34803103 YQEJAPZGWOIYNZ-UHFFFAOYSA-N 329.739 3.333 50 1 EGGF Cc1ccc(/N=N/N(C)C(=O)NCCc2ccc(O)c(O)c2)cc1 43015042 KNXCYMBUIWPWGF-FMQUCBEESA-N 328.372 3.289 50 1 EGGF Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27630189 FXUBMQXLZFGMFG-UHFFFAOYSA-N 332.581 3.192 50 1 EGGF Cc1ccc(C)c2c(CC(=O)N/N=C/c3ccccc3)cc(=O)oc12 40981129 GRZDLCYOHSKFIR-CIAFOILYSA-N 334.375 3.103 50 1 EGGF O=C(/C=C/c1ccccc1)N[C@@H](Cc1ccccc1)C(=O)CCl 26165205 FYIDHFRPPMSWNW-FLVLSHQESA-N 327.811 3.235 50 1 EGGF Cc1ccc(/C=N/NC(=O)c2c[nH]c3cc(Cl)ccc3c2=O)cc1 1857644577 UWLMVZAPLFFSMN-ZVBGSRNCSA-N 339.782 3.254 50 1 EGGF CC=C(C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356614280 OINHBRHDESHNCM-SPUZQDLCSA-N 346.423 3.298 50 1 EGGF Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(N)=O)cc3)[nH]c2cc1C 72176509 IKHHFMPKXFNJTE-OQLLNIDSSA-N 346.390 3.108 50 1 EGGF CCOC(=O)[C@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495689 FMWLVMNYROCJDH-FUHWJXTLSA-N 336.815 3.460 50 1 EGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C\N(C)C)N1 587742872 UNAGVFVYAFOLJQ-DSDFWKTNSA-N 338.224 3.133 50 1 EGGF Oc1c(Br)ccc2nc(/C=C/CBr)[nH]c12 586972222 KFMDFWTZXQOTRH-OWOJBTEDSA-N 331.995 3.439 50 1 EGGF CN(C)c1ccc(/C=N/NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 64539913 BKRBMGNYNKVJOW-CAOOACKPSA-N 325.199 3.151 50 1 EGGF C[C@@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCC2)OO1 43552527 KMHQYINPCHUBHW-AWEZNQCLSA-N 346.832 3.121 50 1 EGGF CC(=O)OC[C@@H]1C(C=O)=CC[C@@H]2C(C)(C)C[C@@H](OC(C)=O)C[C@@]12C 15053769 BWAFOKWXGDOVFA-MTNOOBJLSA-N 336.428 3.069 50 1 EGGF biogenic CCCc1c(O)ccc2c1O[C@](CCCCl)(C(=O)OC)CC2=O 587460390 MGUFPOAJAYVFBP-KRWDZBQOSA-N 340.803 3.241 50 1 EGGF CC[C@@H](C)C(=O)O[C@@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21 153510417 QTYIREDCMKMWBG-OLHMDVQESA-N 348.439 3.378 50 1 EGGF C=C(C)[C@@H]1CC[C@@]23CO[C@@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@@H]1[C@@H]23 2356464409 INWRMBVWSPFLLR-NYLVQANASA-N 328.408 3.497 50 1 EGGF CC1(C)O[C@]2(C)[C@H](C[C@@H]1Br)O[C@]1(C)C[C@H]3O[C@@H]1C[C@H]32 238747210 FWEJHCOQUTYHDL-CGBWJDLASA-N 331.250 3.042 50 1 EGGF C[C@H](c1ccc(CBr)cc1)c1nc2c(O)ncnc2[nH]1 586973472 KJHDUTLXNFLJLH-MRVPVSSYSA-N 333.189 3.105 50 1 EGGF COc1ccc(Br)c(C(=O)N/N=C\c2ccccc2)c1 103187514 JSCYGHAWQSWNIS-YVLHZVERSA-N 333.185 3.222 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCO)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 136850057 BAJSYLWSYBXRPS-UEHFCBIJSA-N 326.433 3.009 50 1 EGGF Cc1cc(NC(=O)NCCSSCCN(C)C)ccc1F 618008128 ZGMJZCFCYDOUJA-UHFFFAOYSA-N 331.482 3.199 50 1 EGGF O=C1Cc2cc3c(c4c2CCN1[C@@]41CCCCC[C@H]1Cl)OCCO3 963270750 QZCBUIFXAIEXPT-DNVCBOLYSA-N 347.842 3.165 50 1 EGGF CCCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103279069 OACLVFKLTUJGNF-YFKPBYRVSA-N 346.172 3.449 50 1 EGGF CC[C@@H](C)c1cc(C(=O)NCCCSSCCN(C)C)on1 618016693 ACQPFPSXOWQAMY-GFCCVEGCSA-N 345.534 3.251 50 1 EGGF CC1(C)C[C@H]([C@]23C=C[C@](CO)(CC2)OO3)CC[C@@H]1Br 44351011 KZRDDGGREUNDMV-OSRDXIQISA-N 331.250 3.358 50 1 EGGF CCOC(=O)[C@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495694 FMWLVMNYROCJDH-WMZOPIPTSA-N 336.815 3.460 50 1 EGGF COC(=O)c1ccc(/N=N/N(C)C(=O)CCc2ccc(O)cc2)cc1 1772626167 COZQVLGYXDTNFT-FMQUCBEESA-N 341.367 3.269 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cccc([N+](=O)[O-])c2[nH]1 586971420 SBCLMQKMVNIVMZ-JTQLQIEISA-N 328.166 3.332 50 1 EGGF COC[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688750 NTMPNYOILITBGJ-SDBXPKJASA-N 336.632 3.203 50 1 EGGF Cc1ccccc1NC(=O)CCC(=O)NN/C=C1\C=Nc2ccccc21 13122276 MDWDTLYIHRCOCG-FYWRMAATSA-N 348.406 3.092 50 3 EGGF C=C1CCC=C(C(=O)O)C[C@@H](OC(C)=O)CC(C)(C)C[C@@H]1OO 2356320841 QZKOWBFMGNVIGO-CABCVRRESA-N 326.389 3.334 50 1 EGGF Cc1onc(-c2ccccc2)c1C(=O)/N=C1\SSC2=NCCN21 34054172 NWAXBOAKSDQOSZ-ICFOKQHNSA-N 344.421 3.213 50 1 EGGF O=C1O[C@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3 96934029 ISPWWFAGMPWYHY-ONIAQPFYSA-N 332.327 3.110 50 1 EGGF C/C1=C\C=C(\[C@@](C)(O)CO)CC/C(C=O)=C/CC[C@]2(C)O[C@H]2CC1 40847639 QFVXFKRYGGAMLR-WXQHDCPPSA-N 334.456 3.239 50 1 EGGF COc1cc2c3c(c1)O[C@@](C1CC1)([C@@H](C)Br)[C@@H](C2)C3=O 587413349 HACYLHAOPRUHPO-JIYNIHLBSA-N 337.213 3.375 50 1 EGGF Clc1ncc(Br)c2nc(CBr)[nH]c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c1ccc(C)cc1)c1c(C)nn(-c2ccccc2)c1O 36384787 GJKIPHXQGVFPIQ-KGENOOAVSA-N 348.406 3.349 50 1 EGGF O=C(N/N=C/c1ccc(O)c2ccccc12)c1cc2cc(O)ccc2[nH]1 13864073 QHGCJWDHUSCQCA-SRZZPIQSSA-N 345.358 3.496 50 1 EGGF CCO[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4C(C)=C(F)C[C@@H]([C@H]1C)[C@@]24OO3 195293445 ITLKWCXLCCFOJL-QDUGBWKWSA-N 328.380 3.448 50 1 EGGF CC1(C)OO[C@@H]2O[C@@]3(C)CC[C@@H]4[C@](C)(N=C=S)CC[C@@H]1[C@@]24O3 2356800279 PWRLKXBVXOTKON-RJUOPTFYSA-N 325.430 3.236 50 1 EGGF CC1=C(C=O)C[C@@H]2[C@@](C)(C[C@H](O)C3=CC(=O)OC3)[C@H](C)CC[C@@]12C 85771859 INKHECVKBKBYSE-PLXGSGTKSA-N 332.440 3.198 50 1 EGGF CO[C@]1(C)OC(=O)C=C1[C@@H]1CC[C@](C)(Cl)[C@H](Br)C1 2356449300 HZRBFPFRPXJJQB-HMHPOGMRSA-N 337.641 3.393 50 1 EGGF O=c1cc(CCl)oc(CN2CC=C(c3ccccc3)CC2)c1O 96922494 IQYYXXLHORDKLZ-UHFFFAOYSA-N 331.799 3.374 50 1 EGGF CN(C)CCSSCCCn1cc(-c2ccc(C#N)cc2)nn1 618010143 QHOSCQJWHWCADS-UHFFFAOYSA-N 347.513 3.150 50 1 EGGF C#CC=CC[C@]12O[C@H]([C@H](Br)CC)C[C@@]1(Cl)C=C[C@H]2O 2356651300 IGMMYIKZUWHPMH-QKGCVVFFSA-N 345.664 3.175 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586971200 OFHIJJKGVOKSFP-JTQLQIEISA-N 346.156 3.471 50 1 EGGF C[C@H]1CCc2sc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2C1 587034867 ZXQDDKMOYIJWPB-VIFPVBQESA-N 326.425 3.020 50 1 EGGF CC1(C)[C@@H]2CC=C3C(=O)OC[C@H]3O[C@@]2(C)CC[C@H]1Br 14854596 BEMNKPXNGWTBLQ-ZAZJYDDPSA-N 329.234 3.217 50 1 EGGF COc1ccc2c(c1)c([C@@H](C)C(=O)NN)c(C)n2Cc1ccccc1 13445990 YODQGLJKUIQGJB-CYBMUJFWSA-N 337.423 3.100 50 1 EGGF COc1cc2c(c(O)c1CBr)C(=O)c1ccccc1C2=O 98085546 KGRPVDJQVZCRQX-UHFFFAOYSA-N 347.164 3.071 50 1 EGGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CCC=C(C)C[C@@H](O)[C@H]12 2356595605 NLUMRGVTMXPWAA-AKHDSKFASA-N 332.440 3.365 50 1 EGGF CN1CC[C@]23C[C@@H](CBr)O[C@]2(C)[C@H]1Cc1ccccc13 169316858 VGARAKIDTRLQIL-RKTXRCNFSA-N 336.273 3.127 50 1 EGGF C[C@@H]1CNC(=O)c2ccccc2SSc2ccccc2C(=O)N1 3929213 XXCPUEXKFAHQJO-LLVKDONJSA-N 344.461 3.348 50 1 EGGF C=C1C(=O)O[C@H]2C=C(C)CC=CC(C=O)=C(OC(=O)CCC)C[C@H]12 2356699521 WQFIEBAASGBAFX-WBVHZDCISA-N 330.380 3.177 50 1 EGGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)NN=Cc1ccco1 472791588 NARAWAAFWAHTPW-UHFFFAOYSA-N 347.802 3.227 50 1 EGGF Cc1c(/C=N/NC(=O)c2sc3ccccc3c2Cl)cnn1C 372759 CCBJTZUSIZXOKG-REZTVBANSA-N 332.816 3.361 50 3 EGGF CO[C@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCC2)OO1 38158545 OIDIWHMSXMZBGL-QGZVFWFLSA-N 338.425 3.110 50 1 EGGF CC(=O)C[C@@H]1O[C@H]([C@](C)(O)C=CC=O)[C@H]2[C@H]1C(C)=CC[C@@H]2C(C)C 2356470314 WOPYCONSOPPLRW-UPQMVPBKSA-N 334.456 3.094 50 1 EGGF CC(=O)S[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 103105952 ASKLIMGAFGCQAI-MTJGQBADSA-N 342.457 3.474 50 1 EGGF CC1=C(C/C=N/NC(=O)c2ccc(C(=O)NO)cc2)C(C)(C)CCC1 95808183 BBEPFANBZVKCTQ-UDWIEESQSA-N 343.427 3.438 50 1 EGGF CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@@]23[C@@H]1O4 43397139 SYUYRWDANMJWQO-CDMOGMFXSA-N 337.460 3.480 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C(=O)O)oc1C)O2 587373147 PZTRDUMBUGUIKB-KRWDZBQOSA-N 349.770 3.276 50 1 EGGF Cc1cc2c(cc1F)[C@](CBr)(c1cscn1)NCC2 962146450 ODJJNTSVLCKTHN-CQSZACIVSA-N 341.249 3.375 50 1 EGGF C#C/C=C/C[C@@]12O[C@@H]([C@@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O 238763314 IGMMYIKZUWHPMH-LTAGADKJSA-N 345.664 3.175 50 1 EGGF ClC[C@@H](Cl)c1nc2cc(I)cnc2[nH]1 587007400 CZRPVMUZTFNKLG-RXMQYKEDSA-N 341.967 3.081 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(\C=O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 523042316 ZQLIFPFEXOQKRV-HBUMFBJGSA-N 346.423 3.298 50 1 EGGF biogenic CCOC[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545205 QDEAGVKKHZYVCZ-QAPCUYQASA-N 348.782 3.368 50 1 EGGF O=C(N/N=C/c1c(F)cccc1Cl)c1ccc2c(c1)OCCCO2 1772632289 ZPGCSQOAVJGWBY-KEBDBYFISA-N 348.761 3.404 50 1 EGGF CCCc1cc(O)nc(SSc2nc(O)cc(CCC)n2)n1 473167974 IXZFSFURTHGNOM-UHFFFAOYSA-N 338.458 3.382 50 1 EGGF CN(C)/C=C(\C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497267 IEYPKFKTQXRFEY-VUVZNRFTSA-N 344.842 3.477 50 1 EGGF O=C(CBr)Nc1ccc(-c2ccc(C(=O)O)cc2)cc1 29559823 RUQKDHYWYRRPQF-UHFFFAOYSA-N 334.169 3.385 50 1 EGGF CN(C)CCSSCCCNC(=O)c1cc(F)cc(F)c1 618007556 ADZKAXZTJQSLOW-UHFFFAOYSA-N 334.457 3.028 50 1 EGGF Cc1c(CCCBr)[nH]c2ccc(S(C)(=O)=O)cc12 587649775 ZOCQZHOHEPODLF-UHFFFAOYSA-N 330.247 3.207 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 14498562 LLFFQXOEXCHHKX-BEAHIULGSA-N 344.407 3.218 50 1 EGGF endogenous,in-man CC(=O)Nc1ccc(C)cc1C(F)(F)C(=O)NNc1ccccc1 1857763079 GDWSFZNAUFAEEI-UHFFFAOYSA-N 333.338 3.189 50 1 EGGF C=CCOc1ccccc1/C=N/NC(=O)CCCCCCC(=O)OC 95808719 UVFHOZGOIBMJEX-HMMYKYKNSA-N 346.427 3.215 50 1 EGGF COc1ccc(OC)c([C@]2(CCl)NCCc3ccc(O)cc32)c1 963340723 HQVHTSVXLFKLJJ-GOSISDBHSA-N 333.815 3.038 50 1 EGGF O=C(O)c1ccc(C(=O)N/N=C/c2ccc(O)c3ccccc23)cc1 13864076 YAJGSQFJRHPEQT-RGVLZGJSSA-N 334.331 3.008 50 1 EGGF C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)[C@H](C(=O)Nc1ccccc1)C2 13742782 IPAFCYNTBYBTIB-HUHSQHJXSA-N 335.831 3.133 50 1 EGGF CCOC(=O)CCCCc1cccc(NC(=O)NCCCl)c1 29063748 KFOJEEWAOROSCY-UHFFFAOYSA-N 326.824 3.323 50 1 EGGF Cc1cc(C)c(/C=N/NC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)c(C)c1 98208027 KKEDWXLWEPQNQM-OGBFJMLUSA-N 348.450 3.113 50 1 EGGF in-vitro CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1 587062497 UHDQUKAFJDCCNX-AWEZNQCLSA-N 344.802 3.350 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C=O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 230071620 LLFFQXOEXCHHKX-SZWMTJTOSA-N 344.407 3.218 50 1 EGGF CN(C)CCOc1ccc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1 1772571320 NVVYZFXDSQLDDT-DEDYPNTBSA-N 345.830 3.044 50 1 EGGF O=C(CCCl)Nc1ccc(SCC(=O)Nc2ccccn2)cc1 96908528 HRKBSPGNYJMYLR-UHFFFAOYSA-N 349.843 3.380 50 1 EGGF O=C(C=C(Br)Br)[C@@H](Cl)Br 86000609 UYCYFWPPJPOBFF-SCSAIBSYSA-N 341.224 3.147 50 1 EGGF COC(C)(C)[C@@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587376858 YHOXENVCKHTWLR-HNNXBMFYSA-N 342.233 3.101 50 1 EGGF COc1cc2c(cc1C(=O)O)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857655885 UGXPLSUGZJOFKK-OXJNMPFZSA-N 339.391 3.272 50 1 EGGF COC(=O)CC[C@]1(CCl)c2cc(OC)ccc2CCN1C(C)C 962089423 IXWXVEYIDBDVAI-SFHVURJKSA-N 339.863 3.349 50 1 EGGF COc1cccc(/C=C/C=O)c1OC(=O)c1ccccc1OC(C)=O 1857767892 XMQWXZPCBMVXCO-SOFGYWHQSA-N 340.331 3.052 50 1 EGGF COc1ccc(/C=N\NC(=O)c2cc3c(cn2)[nH]c2ccccc23)cc1 103183910 PCIVVOVKTZRNDE-JJFYIABZSA-N 344.374 3.489 50 1 EGGF O=C1O[C@@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@@H]4O3 96934030 ISPWWFAGMPWYHY-ATLSCFEFSA-N 332.327 3.110 50 1 EGGF CO[C@@H]1C(C=O)=CC[C@@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O 95911664 AKKRSUAQLBEBRV-CMWLGVBASA-N 346.467 3.239 50 1 EGGF biogenic,in-vitro N#C/C(=C\C=C\c1ccc2c(c1)OCO2)C(=O)NCc1ccccc1 35812841 UURWETMCUDXPLA-AQHRCUNFSA-N 332.359 3.195 50 1 EGGF O=C(N/N=C/c1ccccc1O)c1ccccc1C(=O)c1ccccc1 103170269 RXNITLLDQJRERE-HYARGMPZSA-N 344.370 3.387 50 1 EGGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=NNC(N)=O 2356732315 AIMQMSBWBNRJGW-NKURYSMOSA-N 347.503 3.414 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@@H](C)CC 1857554265 HWWOYRWRLOKZLX-XPAGJJBOSA-N 349.818 3.494 50 1 EGGF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(N)=O)CC[C@H]12 2356732310 AIMQMSBWBNRJGW-HIQFOQTISA-N 347.503 3.414 50 1 EGGF COc1ccccc1C(=O)NNc1nc2ccccc2n2cccc12 28640184 GKAHEBKVLBSVRE-UHFFFAOYSA-N 332.363 3.253 50 1 EGGF COc1ccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)cc1 587939095 BMBNDYARTXZPGM-UHFFFAOYSA-N 331.759 3.093 50 1 EGGF Cc1ccc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587189040 ZLFRHGMAKIRSJU-JYRVWZFOSA-N 339.376 3.182 50 1 EGGF CN1CCN(C2=Nc3cscc3/C(=C\C#N)c3cscc32)CC1 14953580 RVQVUMIXBGFJLZ-OIXVIMQBSA-N 340.477 3.404 50 1 EGGF in-vitro N#CC1=C(N)OC2=C(C(=O)O[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1 84713435 DIROJHMPECHEBM-AEFFLSMTSA-N 344.370 3.437 50 1 EGGF NCCSSCCCNC(=O)/C=C/c1ccccc1Cl 618008070 XXAKRZOKCZMECQ-VOTSOKGWSA-N 330.906 3.200 50 1 EGGF CCCN(C[C@@H](C)Br)[C@H]1CCc2cc(O)c(O)cc2C1 299810797 IABOSHQOQBDMBE-RISCZKNCSA-N 342.277 3.451 50 1 EGGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](CCCO)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169373073 BAJSYLWSYBXRPS-WKTYNKDSSA-N 326.433 3.009 50 1 EGGF Cc1ccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)cc1 201287640 BAGHPHWCPOWDAE-CGOBSMCZSA-N 337.210 3.259 50 1 EGGF CNC(=O)c1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2)cc1 1857643030 REEUQFWYYCYKAD-LPYMAVHISA-N 337.423 3.108 50 1 EGGF COc1ccccc1OCC(=O)N/N=C1\CCCCc2ccccc21 5164326 HRCGFEBEDZVSPV-HEHNFIMWSA-N 338.407 3.321 50 3 EGGF CC(C)c1ccc([C@H]2CC(=O)N3CN(C)CSC3=C2C#N)cc1 20238210 CYZKTNRBHHYWTP-OAHLLOKOSA-N 327.453 3.455 50 3 EGGF aggregator CC(=O)O[C@@H]1CC(C(=O)O)=CCC[C@](C)(OO)C=CC(C)(C)C1 2356469404 LYHUJTYIUUDDLM-PBHICJAKSA-N 326.389 3.334 50 1 EGGF COC(=O)C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409245 LVRGUQAGAQFPTR-AWEZNQCLSA-N 343.335 3.237 50 1 EGGF CCCC[C@@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H](O[C@H]1O)O4 169338033 AUHMEINSEOXFGE-XFXUMDQZSA-N 326.433 3.357 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@]42OO3 169340433 VTVOEKXJXVLZMI-KKTNIKEJSA-N 348.386 3.476 50 1 EGGF COC(=O)c1ccc2nc([C@@H](Br)C(C)(C)OC)[nH]c2c1 586971711 XJVIDNFBPGSKAZ-LLVKDONJSA-N 341.205 3.211 50 1 EGGF N#C/C(=C\c1ccccc1)c1nc2ccc(CN3CCOCC3)cc2[nH]1 587187477 HXPQJWXAOYWWSX-LDADJPATSA-N 344.418 3.459 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3COC(=O)C3=CC[C@@H]12 5765512 BEMNKPXNGWTBLQ-ASHKBJFXSA-N 329.234 3.217 50 1 EGGF biogenic Cc1cc(OCC(=O)NN)cc(C)c1Cc1ccc(O)c(C(C)C)c1 1857615281 ZVNAGCFNNHLLCY-UHFFFAOYSA-N 342.439 3.092 50 1 EGGF CCOC(=O)[C@H](Cl)[C@]1(C)N[C@H](CC)Cc2c1[nH]c1ccccc21 962938965 AWOQGDYTAHWWIG-PSZVPEGOSA-N 334.847 3.478 50 1 EGGF CCN(CC)Cc1ccc(NC(=O)N/N=C(\C)c2ccccn2)cc1 1857549873 IBUCHDHHIZBNKG-PXLXIMEGSA-N 339.443 3.469 50 1 EGGF O=C(NN/C=C1\C(c2ccccc2)=Nc2ccccc21)c1cccnc1 103915505 WHUXXTTUHHKHDL-JXAWBTAJSA-N 340.386 3.492 50 3 EGGF CN(C)/C=C(/C#N)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497266 IEYPKFKTQXRFEY-RNUYOQPASA-N 344.842 3.477 50 1 EGGF [C-]#[N+][C@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(C)c2c1 169703264 GWHVNDIKKSYGTL-CRAIPNDOSA-N 334.379 3.164 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 100775558 LLFFQXOEXCHHKX-JVZWOVIHSA-N 344.407 3.218 50 1 EGGF endogenous,in-man N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccncc1 88499 BQZVLMBITAOAEF-CQSZACIVSA-N 349.781 3.343 50 1 EGGF O=C(N/N=C(/c1ccccc1)c1ccccn1)c1cccc([N+](=O)[O-])c1 3339766 KQDQBRUZHZMHIN-UZYVYHOESA-N 346.346 3.172 50 1 EGGF CC(=O)SCC[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587411408 ZQHFMJCQZCOGNN-HNNXBMFYSA-N 327.833 3.190 50 1 EGGF O=C(N/N=C/c1cc(F)ccc1O)c1ccc(Br)cc1 1857610538 APWISVLYIJPYQV-CAOOACKPSA-N 337.148 3.058 50 1 EGGF Cn1/c(=N/NC(=O)C(C)(C)C)sc2cc(OC(F)(F)F)ccc21 101635531 GFBKUENDJAGBBX-UNOMPAQXSA-N 347.362 3.116 50 1 EGGF CC(=O)C[C@@H]1O[C@H]([C@](C)(O)C=CC=O)[C@@H]2[C@H](C(C)C)CC=C(C)[C@@H]12 2356470316 WOPYCONSOPPLRW-YDRVBMSGSA-N 334.456 3.094 50 1 EGGF COc1ccc(Cl)cc1C#Cc1cc(C(=O)NN)ccc1Cl 587900527 OIUNOPOWYGJXDG-UHFFFAOYSA-N 335.190 3.005 50 1 EGGF C=C1C(=O)O[C@@H]2C[C@@]3(C)[C@@H](C[C@H]12)[C@H]3CC[C@H](C)OC(=O)CCl 103202713 PTKFUNXZYQMYMW-VSKURKJBSA-N 326.820 3.081 50 1 EGGF CC1(C)C[C@H]([C@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br 137748476 KZRDDGGREUNDMV-DHMWGJHJSA-N 331.250 3.358 50 1 EGGF Cc1nn(-c2ncccn2)c2c1C(=O)CC(C)(C)[C@@H]2Br 61942812 IWPCBZOMIPTGSG-GFCCVEGCSA-N 335.205 3.019 50 3 EGGF C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccc[nH]1 84690034 PKUXVILJQRHBDT-SEYNJHBTSA-N 326.183 3.239 50 1 EGGF COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2[nH]ccc32)c1 40587744 FXLCEZXFOJVZCZ-SFHVURJKSA-N 347.374 3.403 50 1 EGGF CNc1nc(C)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653873002 RUTQGVQCXLAZFB-FBCYGCLPSA-N 342.346 3.276 50 1 EGGF Cc1ccc(SCc2nc3ccc(C(=O)NN)cc3[nH]2)c(C)c1 586963526 LZVCQWXNERNVJT-UHFFFAOYSA-N 326.425 3.076 50 1 EGGF C1C2CC3CC1CC(C2)C31OOC2(CCC(NC3CC3)CC2)OO1 169321475 GNCFXCQBXXXKHG-UHFFFAOYSA-N 335.444 3.440 50 1 EGGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(=N)[nH]cc2[nH]1 586974765 ZHQYPTWFLOYKKZ-SECBINFHSA-N 331.217 3.417 50 1 EGGF O=C(NN/C=C1/C=CC=N1)c1ccccc1OCc1ccc(F)cc1 15953086 LMYXUWJYIGSZDR-VBKFSLOCSA-N 337.354 3.121 50 3 EGGF C=C1C[C@@]2(C(=O)O)C[C@H]1CC[C@]2(C)[C@@H]1CCC[C@]2(C)C(=O)OC(=O)[C@@H]12 2356387004 DNDDGKFGWMYCIM-GOCWBJTDSA-N 346.423 3.330 50 1 EGGF CC(C)c1nn(C)c2c1[C@](CCl)(COc1ccccc1)NCC2 962916111 IWBMKFHVZUISTA-SFHVURJKSA-N 333.863 3.202 50 1 EGGF c1ncn(CC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)n1 14177080 NLNPDUGTGKPIQJ-UHFFFAOYSA-N 345.443 3.295 50 1 EGGF CCCC[C@@H](/C=N/NC(=O)c1ccccc1)NC(=O)OC(C)(C)C 28570621 MEVTUPXGAJYBLO-SJPXOZHESA-N 333.432 3.486 50 1 EGGF CCN(CC)CCOC(=O)[C@@](C)(CBr)c1ccccc1 27431509 WQPXXECWIMUSPE-INIZCTEOSA-N 342.277 3.224 50 1 EGGF COc1ccc2cc([C@H](C)C(=O)NN=C3CCN(C)CC3)ccc2c1 1857770606 CMMGZTQFICNWJL-AWEZNQCLSA-N 339.439 3.150 50 1 EGGF CCC[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103279061 JHSMCXUMQZTOAK-BYPYZUCNSA-N 332.145 3.059 50 1 EGGF CCC1=C(Cl)[C@@H](Cl)N(CC)C(OP(=O)(O)O)=C1Cl 103296719 NYTLRIIWLCWLJH-QMMMGPOBSA-N 336.539 3.307 50 1 EGGF CC=C[C@@H]1CO[C@@]2(C)Oc3c(C(C=O)=CCC)coc(=O)c3C[C@H]12 2356723022 XCCRIMCUROIIKJ-NRXGSXMXSA-N 330.380 3.122 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cc(F)cc(Br)c2[nH]1 587009541 KLFOSDJAZDBWLU-UHFFFAOYSA-N 348.603 3.055 50 1 EGGF O=C(C(Br)=CBr)[C@@H](Cl)Br 2356538894 UQCVAWUJHGLVKU-SCSAIBSYSA-N 341.224 3.147 50 1 EGGF CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@@H]2Cc1ccc(CO)cc1 100999802 BTZOVXWKSBJWMK-DEPCRRQNSA-N 348.439 3.337 50 1 EGGF CC[C@@H](C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103278883 DXESLKPLXSFJJQ-UHNVWZDZSA-N 346.172 3.305 50 1 EGGF [C-]#[N+][C@@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@@H]1c1ccc2[nH]nc(C)c2c1 169703261 GWHVNDIKKSYGTL-YJBOKZPZSA-N 334.379 3.164 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)ccc21 586908103 QKXGFUSCNLGDNY-UHFFFAOYSA-N 334.118 3.242 50 1 EGGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)[C@H]1CCCO1 39133582 FEJUYLWGALQGJN-NPRUJURCSA-N 326.274 3.159 50 1 EGGF Cn1c(/C(C#N)=C(\O)c2ccc([N+](=O)[O-])s2)nc2ccccc21 101943097 WVWKZOUDOCRETB-ZROIWOOFSA-N 326.337 3.493 50 1 EGGF CC1=C(C=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@H]3C 2356397104 GURCDXIUUOFINM-YBYGRFCBSA-N 340.375 3.283 50 1 EGGF CC[C@H](O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103104135 GXQIZZRQHQPJPB-FYFWTSDXSA-N 340.460 3.398 50 1 EGGF CO[C@@]12CCC[C@H](C[C@@](C)(CI)OO1)C2 100921642 YGVVYQRWFQFZLS-VWYCJHECSA-N 326.174 3.065 50 1 EGGF CO[C@@]12CCC[C@@H](C1)[C@H](I)C(C)(C)OO2 43393658 XFIPHMGAKWWEAX-ATZCPNFKSA-N 326.174 3.063 50 1 EGGF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1cc(C(=O)CCl)c[nH]1 963635383 MJBZJGHSUKYZLH-MGNBDDOMSA-N 348.830 3.077 50 1 EGGF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C(C)=C/C#N)c1 34080953 ISNRVUMSKJHKEF-JLHYYAGUSA-N 349.434 3.470 50 1 EGGF CC1=C(C=O)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@@H]3C 238782218 GURCDXIUUOFINM-GWNMQOMSSA-N 340.375 3.283 50 1 EGGF COc1ccc(C(=CC#N)c2cc(OC)c(OC)c(OC)c2)cc1N 1857623312 HSYSGMXLFDOZSH-UHFFFAOYSA-N 340.379 3.258 50 1 EGGF O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cc2cc(Cl)ccc2[nH]1 1911573429 ZROLCUCWVWIHCS-GIJQJNRQSA-N 342.742 3.493 50 1 EGGF C[C@H](Br)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587007797 FCRWTHVVACHISX-REOHCLBHSA-N 329.507 3.433 50 1 EGGF COC(=O)c1ccc2nc(/C(C#N)=C/c3ccccc3)[nH]c2c1OC 587186923 AJENMALWTMCWFL-JLHYYAGUSA-N 333.347 3.422 50 1 EGGF C[C@@H](Cl)[C@]1(C#C[Si](C)(C)C)NCCc2c(C(=O)O)cccc21 963125166 SAHUZDWYWPXQGJ-PXAZEXFGSA-N 335.907 3.234 50 1 EGGF COc1ccc2c(c1)c(CC(=O)NN)c(C)n2[C@@H](C)c1ccccc1 13445927 BWJPUDDAYFPSIE-ZDUSSCGKSA-N 337.423 3.100 50 1 EGGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cnn(C)c1)CC2=O 587462347 YNWMSQOZCYAEMA-QGZVFWFLSA-N 334.803 3.178 50 1 EGGF O=C(N/N=C/c1ccccc1Cl)c1ccc2c(c1)OCCCO2 1772646209 RLNLUMJZNOSTRE-YBFXNURJSA-N 330.771 3.265 50 1 EGGF CC1(C)C(CSS(C)(=O)=O)=C(c2ccccc2)C(C)(C)N1O 685933135 ZXJJZPNUOZSZBU-UHFFFAOYSA-N 341.498 3.395 50 1 EGGF in-vivo [C-]#[N+][C@@H]1C(C(C)C)=NC2=C(C(=O)OC2)[C@H]1c1ccc2[nH]nc(C)c2c1 169703263 GWHVNDIKKSYGTL-QAPCUYQASA-N 334.379 3.164 50 1 EGGF N#CCCN(NC(=O)NC1CCCCC1)c1nc2ccccc2o1 29465338 FDSSNBNLWUFXFJ-UHFFFAOYSA-N 327.388 3.095 50 1 EGGF C=C(C)[C@@H]1CC[C@@]23CO[C@@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@H]1[C@@H]23 2356464408 INWRMBVWSPFLLR-GFGYGTBUSA-N 328.408 3.497 50 1 EGGF CCOC(=O)c1c([C@@H](C)Br)[nH]c2c(C(=O)O)cccc12 587637269 ZDGCDHDLMXHALQ-SSDOTTSWSA-N 340.173 3.499 50 1 EGGF O=c1cc(CCl)nc2c(-c3ccccc3)c(C(F)(F)F)[nH]n12 142955948 BWMMWKJLSJOPAV-UHFFFAOYSA-N 327.693 3.447 50 1 EGGF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(=O)NN)cc2[nH]1 587952053 XKIIOZNMZYBFKF-LBPRGKRZSA-N 346.390 3.460 50 1 EGGF CC[C@@H](Br)C(=O)N[C@@H]1CCc2[nH]c3ccccc3c2C1 13777724 WGTSVJTUAJQVEJ-ZWNOBZJWSA-N 335.245 3.315 50 1 EGGF COc1ccc(C(O)=C(C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1 1857626527 WTLGNRJIDSWCCY-UHFFFAOYSA-O 332.383 3.457 50 1 EGGF CC[C@@]1([C@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414765 OIYSWXYSFUYGLX-AVZKPZGTSA-N 325.202 3.375 50 1 EGGF COC(=O)c1cc2[nH]c(/C(C#N)=C/c3ccccc3)nc2cc1OC 587187678 JMFKDKWFCKFNAO-MDWZMJQESA-N 333.347 3.422 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCCN)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43947477 XICPVBZJQHNYCW-LBYBGDIDSA-N 339.476 3.366 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C(=O)O)oc1C)O2 587373154 PZTRDUMBUGUIKB-QGZVFWFLSA-N 349.770 3.276 50 1 EGGF C=CCc1c(CBr)[nH]c2ccc(S(C)(=O)=O)cc12 587648221 AADYCFGCJXZHLR-UHFFFAOYSA-N 328.231 3.195 50 1 EGGF CC(C)(F)[C@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587087964 ZXVGGBROSPXTHP-NXEZZACHSA-N 329.173 3.471 50 1 EGGF C=CCOc1nc(-c2ccc(NC(=O)CCl)cn2)nc(C)c1CC 64513891 SDXKNGKMFQTFNM-UHFFFAOYSA-N 346.818 3.152 50 1 EGGF Nc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cc1 40564834 IAIJOIHHRDGVJC-UHFFFAOYSA-N 329.739 3.333 50 1 EGGF C[C@@H]1CC[C@H]2C(CN)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103187408 AEGUSMIAYHPVLD-MOJIGAAESA-N 349.349 3.007 50 1 EGGF C=C[C@]1(C)C=C(C=O)[C@]2(CC1)OC(=O)[C@@H]1C(C)(C)CCC[C@@]12C(=O)O 2356839189 LRRZMKRUDVFTBA-DPZWOIPNSA-N 346.423 3.291 50 1 EGGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@@H]1c1ccccc1 95604293 SYOYURZMOOGQSM-SFHVURJKSA-N 349.365 3.180 50 3 EGGF NNC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250624 NRMADOLFEJTYBP-UHFFFAOYSA-N 343.390 3.083 50 1 EGGF COc1cccc([C@@]23CCC[C@H](C2)NC[C@@H]3Br)c1OC 102918189 SNOQZZRZXHKDHJ-DIOULYMOSA-N 340.261 3.251 50 1 EGGF COC(=O)c1ccc(/N=N/N(C)C(=O)CCc2cccc(O)c2)cc1 1772633317 SEDHHDUOTYKZAD-FMQUCBEESA-N 341.367 3.269 50 1 EGGF Cc1ccc(-c2cc(C(=O)N/N=C\c3ccc(Cl)cc3)[nH]n2)o1 33285640 LYSKAIOIKHRVHR-NVMNQCDNSA-N 328.759 3.395 50 1 EGGF Fc1ccc(CN(CCBr)CCn2ccnc2)c(F)c1 169327032 PDIJKIOTCGIVBE-UHFFFAOYSA-N 344.203 3.058 50 1 EGGF C=C(C)C(=O)O[C@@H]1C=C(C)CC[C@H](OO)C(=C)C[C@@H]2OC(=O)C(=C)[C@H]21 2356605261 ZKQWDJFVKBUBDS-YVSFHVDLSA-N 348.395 3.117 50 1 EGGF CC(C)(C)OC(=O)N/N=C/C1=C/C(=N/Nc2ccccc2)C=CC1=O 103762098 SGLYTKNASXFYLE-QAWGCVPJSA-N 340.383 3.030 50 3 EGGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(/O)c2ccc(F)cc2)cc1 96933730 LQMZFQCJDKYOPE-VHEBQXMUSA-O 335.362 3.037 50 1 EGGF Cn1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587497142 HGRKXILDFKPQLQ-SFHVURJKSA-N 330.815 3.398 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@@]42OO3 169340440 VTVOEKXJXVLZMI-GBBCRZDKSA-N 348.386 3.476 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)C1CCC1 1857563217 ISNSODURKJXIFG-DJKKODMXSA-N 347.802 3.248 50 1 EGGF COc1cc(C=C(C#N)C(N)=O)cc(CSc2ccccc2)c1O 1857622880 FOGXCBUSKWTDKV-UHFFFAOYSA-N 340.404 3.085 50 1 EGGF C/C(=N\NC(=O)COc1ccc(O)cc1)c1ccc(-n2cccc2)cc1 103224096 ALBGCGRJQRJNHZ-RCCKNPSSSA-N 349.390 3.102 50 1 EGGF C[C@H](Cl)[C@]1(C#C[Si](C)(C)C)NCCc2c(C(=O)O)cccc21 963125182 SAHUZDWYWPXQGJ-SJCJKPOMSA-N 335.907 3.234 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2cc3nc(O)[nH]c3cc2[nH]1 586971699 WVODZLPZGJGSOY-JTQLQIEISA-N 339.193 3.006 50 1 EGGF CCc1cc(C(=O)N[C@@H](CCl)c2ccc(Cl)cc2)n(C)n1 103173201 UBPVLQXNBHFEJE-ZDUSSCGKSA-N 326.227 3.346 50 1 EGGF O=C(O)c1ccccc1N=C1C(=O)c2ccccc2C(=O)[C@@H]1Cl 2356840680 MTIDHDJMXCKVGQ-CYBMUJFWSA-N 327.723 3.144 50 1 EGGF CN1/C(=C\C=N/NC(=O)c2ccc(O)cc2)C(C)(C)c2ccccc21 6473648 KARVXBYKRRJYIH-YLNLGVMWSA-N 335.407 3.419 50 1 EGGF CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c1 28565331 WMZMCEGXVHXCCB-YBFXNURJSA-N 341.367 3.362 50 1 EGGF O=C(CNc1cccc2ccccc12)N/N=C\c1ccc([N+](=O)[O-])cc1 33282100 MOYSAQTUDFLQGG-MTJSOVHGSA-N 348.362 3.310 50 1 EGGF COc1ccc(Cl)cc1C#Cc1cnc(CBr)nc1 587897937 ATONSFXEVNGFEY-UHFFFAOYSA-N 337.604 3.433 50 1 EGGF CC=C(C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]21 2356614277 OINHBRHDESHNCM-BZZMCLGOSA-N 346.423 3.298 50 1 EGGF CC=C(C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356614278 OINHBRHDESHNCM-DZJNRPSUSA-N 346.423 3.298 50 1 EGGF C[C@](O)(CCl)COc1cc(O)c2c(=O)c3ccccc3oc2c1 140052420 WQJXERRXFFDUBQ-KRWDZBQOSA-N 334.755 3.020 50 1 EGGF O=C(N/N=C/CCC/C=N/NC(=O)c1cccs1)c1cccs1 1857655369 BIOOQFRUSRLAAG-GONBZBRSSA-N 348.453 3.111 50 1 EGGF C=C1C[C@]2(C(=O)O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 67913026 VANVHXWMIRKGSW-CQVYYPFOSA-N 346.423 3.330 50 1 EGGF NNC(=O)c1c(SCc2ccccc2)nc2c3ccccc3ccn12 13218764 PKLMMYXNFAOWAQ-UHFFFAOYSA-N 348.431 3.383 50 1 EGGF CC(C)OC(=O)N/N=c1\sc2cc(OC(F)(F)F)ccc2n1C 53193464 ONWOFJCPRAZRKC-BOPFTXTBSA-N 349.334 3.089 50 1 EGGF CC1=CC2=C[C@H](C)C[C@@]23O[C@]2(CC(C)(C)C[C@@H]2[C@@]1(O)C#N)[C@@H](C)C3=O 96928260 KGDQSAUWAARAIM-NPMBXQHZSA-N 341.451 3.316 50 1 EGGF CCn1c(C)c(P(c2ccccc2)c2ccccc2)[n+]2ccccc12 17595893 HMHAZZXKHHTGBT-UHFFFAOYSA-N 345.406 3.313 50 3 EGGF CC1=NN(C(=O)CCl)[C@H](c2cc(Br)ccc2O)C1 653737440 XWTDBKYHGYCFPW-JTQLQIEISA-N 331.597 3.043 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C(F)F)CC[C@@H]([C@H]1C)[C@]42OO3 169371386 XAPFARHSBSKKAM-LMFRHKELSA-N 348.386 3.476 50 1 EGGF CN(C)CCSSCCCn1cc(CC2CCCC2)nn1 618010406 WUSMUBJMIFDFGV-UHFFFAOYSA-N 328.551 3.344 50 1 EGGF CCS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1 587188209 OHPMHGLYNNRFBE-UVTDQMKNSA-N 337.404 3.421 50 1 EGGF CC(C)=CCN1C(=O)/C(=N/NC(=O)c2ccc(C)cc2)c2ccccc21 1857654076 YYJYHOFZAJSUNQ-ZBJSNUHESA-N 347.418 3.442 50 1 EGGF COc1ccc(Cl)c2c1CCN[C@@]2(CCl)c1cccn1C 963257142 IEJPOFXWZHDLRJ-INIZCTEOSA-N 325.239 3.315 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4C(C)=C(F)C[C@@H]([C@H]1C)[C@@]42OO3 169371267 ITLKWCXLCCFOJL-WOIPCIGQSA-N 328.380 3.448 50 1 EGGF CCC1=C(Cl)[C@H](Cl)N(CC)C(OP(=O)(O)O)=C1Cl 103296717 NYTLRIIWLCWLJH-MRVPVSSYSA-N 336.539 3.307 50 1 EGGF C[C@@H](Br)COc1oc(=O)c2cc(N)ccc2c1Cl 27632814 OEDWZHQYEAKXCH-ZCFIWIBFSA-N 332.581 3.191 50 1 EGGF COC(=O)CC[C@@]1(CCl)c2cc(OC)ccc2CCN1C(C)C 962089422 IXWXVEYIDBDVAI-GOSISDBHSA-N 339.863 3.349 50 1 EGGF CC=C(C)C(=O)O[C@@H]1C=C(C=O)[C@@]23C[C@H]1C(C)(C)[C@H]2CC[C@@H]3C=O 2356610572 PUBAKVPNGHNJCR-RZRATATOSA-N 330.424 3.261 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4C(C)=C(F)C[C@@H]([C@H]1C)[C@]42OO3 43888609 ITLKWCXLCCFOJL-JBOWITEGSA-N 328.380 3.448 50 1 EGGF Cc1ccc(/C=C(/C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587188236 PQSRYFMJQVXQFR-MLPAPPSSSA-N 330.347 3.266 50 1 EGGF CC(=CCO)CCC=C(C=O)CCC[C@H](C)C(=O)C[C@@H]1C[C@@]1(C)O 2356657797 ULIUIAXZOFSSAK-ILZDJORESA-N 336.472 3.367 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C=O)C[C@@H](OC(=O)CC(C)C)[C@H]12 36374587 BSJGKIXNWXOEIX-WCSNVLSBSA-N 346.423 3.298 50 1 EGGF NCCSSCCCC(=O)N1CCc2c([nH]c3ccccc23)C1 618008058 XHWQRKFVGPERMW-UHFFFAOYSA-N 349.525 3.173 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H](C3=C(O)C(=O)OC3)C[C@H]12 2356658524 VBNSOLWVHSCXLZ-DDIVZENXSA-N 345.233 3.103 50 1 EGGF CC1(C)OO[C@@H]2O[C@@]3(C)CC[C@@H]4[C@](C)(N=C=S)CC[C@H]1[C@@]24O3 2356800276 PWRLKXBVXOTKON-FBDFSMIPSA-N 325.430 3.236 50 1 EGGF O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(C(F)(F)F)cc1 40933778 YZGLOXSJTBWDEF-REZTVBANSA-N 343.286 3.439 50 1 EGGF C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@@H](C)OC(=O)C(C)C 2356683102 HEZGMLUKBXXBPT-GDBMZVCRSA-N 334.412 3.154 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cnn(C)c1)CC2=O 587462346 YNWMSQOZCYAEMA-KRWDZBQOSA-N 334.803 3.178 50 1 EGGF CCCN(CCBr)[C@@H]1CCc2cc(O)c(O)cc2C1 29555814 BPXUFOFBQDVSGI-CYBMUJFWSA-N 328.250 3.062 50 1 EGGF C[C@]1(CC(=O)NCc2ccc(C(=O)O)cc2)CC2(CCCCC2)OO1 49709405 PVSATFACFVIGLJ-SFHVURJKSA-N 347.411 3.205 50 1 EGGF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587170271 MSBPIIMFKUHWMG-JTQLQIEISA-N 344.415 3.201 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cc(C#N)c(C(F)(F)F)cc2[nH]1 587009576 LUUSTCIALFPTMD-UHFFFAOYSA-N 344.724 3.043 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@H]3CO[C@H](O)C3=CC[C@@H]12 197174361 VWPMNNGYNDUDNN-CXOVXGEYSA-N 331.250 3.009 50 1 EGGF COC(C)(C)[C@@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 586971217 OOCLRVGRVFQKLB-WDEREUQCSA-N 341.209 3.148 50 1 EGGF O=C(O)c1cccc2c1CCN[C@]21CCCCC[C@H]1Br 963132637 RMSQZZRMVFBXNI-GDBMZVCRSA-N 338.245 3.453 50 1 EGGF CC1=CC=C([C@@](C)(O)CO)CCC(C=O)=CCC[C@]2(C)O[C@H]2CC1 253668598 QFVXFKRYGGAMLR-UFYCRDLUSA-N 334.456 3.239 50 1 EGGF COc1cc(/C=C(/C#N)C(N)=O)cc(CSc2ccccc2)c1O 38142782 FOGXCBUSKWTDKV-QPEQYQDCSA-N 340.404 3.085 50 1 EGGF C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C/C#N)c3ccccc32)CC1 40676613 XTTPTEPNEVFTIQ-LICLKQGHSA-N 344.418 3.294 50 1 EGGF CN1CCC[C@@H]1/C(O)=C(\C#N)C(=O)Nc1ccc(C(F)(F)F)cc1 100785021 MFQDXAUZLDKXQW-NXXVSJRMSA-N 339.317 3.074 50 1 EGGF COc1cccc([C@]23CCC[C@@H](C2)NC[C@@H]3Br)c1OC 102918187 SNOQZZRZXHKDHJ-PJODQICGSA-N 340.261 3.251 50 1 EGGF C/C(=N/NC(=O)Nc1nnc(S)s1)c1ccc(Cl)cc1 95583302 ZFQFPYLMIYXQLH-NSIKDUERSA-N 327.822 3.026 50 1 EGGF C/C1=C/C=C(\[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 169369417 QFVXFKRYGGAMLR-BRKZAQDKSA-N 334.456 3.239 50 1 EGGF COc1cccc([C@@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 34093702 YQVNYAXUEJHBIW-SFHVURJKSA-N 331.375 3.405 50 1 EGGF CCCc1c(O)ccc2c1O[C@H](c1cnn(CCCl)c1)CC2=O 587460016 KPRCXBZRGYACCP-INIZCTEOSA-N 334.803 3.487 50 1 EGGF CC(=O)SCC[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587411419 ZQHFMJCQZCOGNN-OAHLLOKOSA-N 327.833 3.190 50 1 EGGF C[C@H](Cl)CC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 1857570557 PAMNZIVPEOWJMN-ZETCQYMHSA-N 326.765 3.069 50 1 EGGF COc1cc(C)c2c3c(c(O)c4c2c1C(=O)OC4=O)C(C)(C)[C@H](C)O3 2356457189 GUGYQHCMALTAMG-QMMMGPOBSA-N 342.347 3.232 50 1 EGGF C[C@@H](c1ccc(CBr)cc1)c1nc2c(O)ncnc2[nH]1 586973474 KJHDUTLXNFLJLH-QMMMGPOBSA-N 333.189 3.105 50 1 EGGF Cc1cc2c(cc1F)[C@](C1CC1)([C@H](Cl)C(=O)C(F)F)NCC2 962148691 UIOJYWNLBLENTF-GDBMZVCRSA-N 331.765 3.327 50 1 EGGF CC[C@H](Br)C(=O)N[C@@H]1CCc2[nH]c3ccccc3c2C1 13777726 WGTSVJTUAJQVEJ-MFKMUULPSA-N 335.245 3.315 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356745444 ZQLIFPFEXOQKRV-NBMRYCAZSA-N 346.423 3.298 50 1 EGGF CCC(=O)N[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409254 JGXIJLJANIWKHM-MRXNPFEDSA-N 342.351 3.158 50 1 EGGF O=C(O)CCCCCC(=O)N/N=C/c1c(O)ccc2ccccc12 95808666 XUVUMELBZRSJCS-XDHOZWIPSA-N 328.368 3.031 50 1 EGGF CC(C)(O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1 38145354 PNDNLQLFKNQAFW-SAPNQHFASA-N 325.437 3.439 50 1 EGGF CC1=C(C=O)CC[C@@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)O[C@@H](C)C3 205485236 QOESDHKUZKKWER-LXGOIASLSA-N 340.375 3.111 50 1 EGGF O=C(N/N=C/c1cccc(F)c1O)c1cccc(C(F)(F)F)c1 49114710 PSXXQTSZUVPQKH-DNTJNYDQSA-N 326.249 3.314 50 1 EGGF COc1ccc(/C=N/NC(=O)C(C)(C)Oc2cccc(C)c2)cc1 42921410 AJUFDPTTWUHDMB-DEDYPNTBSA-N 326.396 3.311 50 1 EGGF CO[C@@H]1C[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@]2(C)[C@@H](O)C=C1C=O 2356688698 JKAXWKMSLAMQBR-VAHKDLLLSA-N 348.483 3.033 50 1 EGGF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N/C(=C\C#N)N2 587908743 IAUBAPHJIJAUHP-LSCVHKIXSA-N 349.777 3.269 50 1 EGGF COc1ccc(C(=O)N/N=C/c2cccc(SC)c2)cc1OC 103172745 QOUHSUWHDICBRL-WOJGMQOQSA-N 330.409 3.190 50 1 EGGF COc1ccc(NC(=O)c2cc3cc(CCl)ccc3oc2=O)cn1 27406637 LOJBVIUOKLKJPJ-UHFFFAOYSA-N 344.754 3.188 50 1 EGGF COc1cc2c3c(c1)O[C@H]([C@@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O 587420542 KVVJKYIUHCUXCT-FHSNZYRGSA-N 332.783 3.303 50 1 EGGF COC(=O)CC[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497655 JSNPVBCDBSBVBE-GOSISDBHSA-N 336.815 3.461 50 1 EGGF CCOC(=O)/C(C#N)=C\C(=C(\O)c1ccccc1)[n+]1ccc(C)cc1 205723945 AGWZJWCIFXYXRJ-UHFFFAOYSA-O 335.383 3.179 50 1 EGGF CO[C@H]1O[C@@]2(C)OO[C@]13CCCC[C@@H]3C[C@H]2Cc1ccc(CO)cc1 100999801 BTZOVXWKSBJWMK-SLHNCBLASA-N 348.439 3.337 50 1 EGGF COc1cc2c3c(c1)O[C@@](CCl)(c1oc(C)nc1C)[C@@H](C2)C3=O 587419456 DHZPAAGOKITMOV-YVEFUNNKSA-N 333.771 3.182 50 1 EGGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)NN)c(Cl)c1 587903631 LJGKIHMIBGJPMX-UHFFFAOYSA-N 335.190 3.005 50 1 EGGF O=C(c1c(CO)oc2cc(Br)cnc12)C(Cl)Cl 587276258 KUEAARCDXORZPE-UHFFFAOYSA-N 338.972 3.069 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12 100775563 LLFFQXOEXCHHKX-IUZYABFWSA-N 344.407 3.218 50 1 EGGF endogenous,in-man COc1cccc(-c2cc(O)n(-c3ccnc(CCl)n3)c2O)c1 587939528 FFNMIWOKWFJXGK-UHFFFAOYSA-N 331.759 3.093 50 1 EGGF CCOC[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545176 QDEAGVKKHZYVCZ-CRAIPNDOSA-N 348.782 3.368 50 1 EGGF CC[C@H](C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356681360 QTYIREDCMKMWBG-XWJBARJFSA-N 348.439 3.378 50 1 EGGF C[C@]1(CS(=O)(=O)c2ccc(Cl)cc2)COC2(CCCC2)OO1 43552525 KMHQYINPCHUBHW-CQSZACIVSA-N 346.832 3.121 50 1 EGGF COc1cc2c3c(c1)O[C@](CBr)(C(C)C)[C@@H](C2)C3=O 587415625 VXKAJIFJZUMEGM-XHDPSFHLSA-N 325.202 3.232 50 1 EGGF CC[C@@H](O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103104471 GXQIZZRQHQPJPB-GHDQWPGYSA-N 340.460 3.398 50 1 EGGF CC=C[C@@H]1CO[C@]2(C)Oc3c(C(C=O)=CCC)coc(=O)c3C[C@H]12 2356723023 XCCRIMCUROIIKJ-VVFCZOMOSA-N 330.380 3.122 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 85889823 LLFFQXOEXCHHKX-OBGOAGSUSA-N 344.407 3.218 50 1 EGGF in-man C[C@H](c1ccc(CBr)cc1)c1nc2cnnc(O)c2[nH]1 586974510 XDIRSOMMNWQLFU-MRVPVSSYSA-N 333.189 3.105 50 1 EGGF C[C@@H](Cl)[C@@]1(C#C[Si](C)(C)C)NCCc2c(C(=O)O)cccc21 963125184 SAHUZDWYWPXQGJ-SJKOYZFVSA-N 335.907 3.234 50 1 EGGF O=S(=O)(c1ccccc1)n1c(CCCCl)cc2cccnc21 169321965 LAYNLTFKKRGDAV-UHFFFAOYSA-N 334.828 3.445 50 1 EGGF Cc1cc2c(cc1F)[C@@](C1CC1)([C@@H](Cl)C(=O)C(F)F)NCC2 962148695 UIOJYWNLBLENTF-HOCLYGCPSA-N 331.765 3.327 50 1 EGGF Cc1cccc(N2C(N)=C(C#N)C(C#N)(C#N)[C@H]2c2ccccc2)c1 551047 SNTJIIZCJXPGLE-GOSISDBHSA-N 325.375 3.284 50 3 EGGF CC=C(C)C(=O)O[C@@H]1C=C(C=O)[C@@]23C[C@H]1C(C)(C)[C@@H]2CC[C@H]3C=O 2356610571 PUBAKVPNGHNJCR-NRJZREQNSA-N 330.424 3.261 50 1 EGGF COC(=O)c1ccc([C@H]2OO[C@]3(CCC[C@@H](C)C3)[C@@H](OC)O2)cc1 43443085 PQMKDDFBOFVLPS-QTXLCTLRSA-N 336.384 3.372 50 1 EGGF NNC(=O)c1cc(Cl)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 6040200 RYRSWANLNKLGDO-UHFFFAOYSA-N 347.846 3.098 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C(F)F)CC[C@@H]([C@H]1C)[C@]42OO3 43366362 XAPFARHSBSKKAM-AIXMNOFRSA-N 348.386 3.476 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587009839 VXBKHIKFIFBNBW-UHFFFAOYSA-N 337.704 3.311 50 1 EGGF O=C(N/N=C/c1ccc(Br)cc1O)c1cccc(F)c1 1857558152 NRQYKPZFLDEPOG-CAOOACKPSA-N 337.148 3.058 50 1 EGGF CN(C)C(=O)c1ccc2nc([C@@H](Br)C(C)(C)F)[nH]c2c1 587087066 LNMZNRZWKNBPFJ-LLVKDONJSA-N 342.212 3.449 50 1 EGGF Cc1ccc(Cc2nc3ccc(C(=O)NN)cc3[nH]2)cc1C(F)(F)F 587095822 WVIHPOGOYXEDMD-UHFFFAOYSA-N 348.328 3.084 50 1 EGGF COc1cc(OC)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1 34334944 XDLKELIYVGUKTI-KRWDZBQOSA-N 347.374 3.403 50 1 EGGF Oc1nc(NCc2ccccc2)c2nc([C@H](Cl)CCl)nc-2[nH]1 587009236 YOIAEVPRGFYBOD-SECBINFHSA-N 338.198 3.141 50 1 EGGF O=C(CCc1ccc(O)cc1)NNc1c(Cl)cncc1Cl 84654809 BGAUEIZIGHRCDJ-UHFFFAOYSA-N 326.183 3.170 50 1 EGGF COc1ccc(NNC(=O)C(=O)c2c[nH]c3ccc(Cl)cc23)cc1 26389494 NZKWKVHVZKLPFY-UHFFFAOYSA-N 343.770 3.156 50 1 EGGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc[nH]c(=N)c2[nH]1 586974418 WHASQRFLUUBIET-VIFPVBQESA-N 331.217 3.417 50 1 EGGF C[N+]1([O-])CCN(C2=Nc3ccccc3C(=CC#N)c3ccccc32)CC1 1857741936 XTTPTEPNEVFTIQ-UHFFFAOYSA-N 344.418 3.294 50 1 EGGF Fc1cccc([C@]2(CCCl)NCCc3nc4ccccn4c32)c1 962987421 LMMWRUQKKUSBFV-SFHVURJKSA-N 329.806 3.492 50 1 EGGF O=C(N/N=C/c1ccc(Cl)cc1)c1n[nH]c2c1Cc1ccccc1-2 1857534076 OUAGXDSZNMEGQU-KEBDBYFISA-N 336.782 3.398 50 1 EGGF C#CC=C[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@@H]2Cl 2356800810 QHSXRNNSCRZFCI-QTJJRWQNSA-N 333.653 3.272 50 1 EGGF CC=C(C=O)[C@@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C(=O)C1=CO 2356486875 HUJVAYKPOUYFBT-YJBOKZPZSA-N 336.391 3.201 50 1 EGGF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\NC(N)=O 36323093 YQFYQKHUSBMOSC-KLCGAWQVSA-N 345.487 3.334 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)nn(CCCl)c1C)O2 587376278 RIZVTNQIODLBLP-HNNXBMFYSA-N 333.819 3.336 50 1 EGGF Oc1nc(O)c2cc(CC3CCCC3)c(CBr)nc2n1 587366671 OXIMDNASLZHYMM-UHFFFAOYSA-N 338.205 3.064 50 1 EGGF NC(=O)N1c2ccccc2C[C@H](OC(=O)CCl)c2ccccc21 26575048 YGQRITUGYXRHJN-HNNXBMFYSA-N 330.771 3.283 50 1 EGGF CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@@H]1O4 101274606 SYUYRWDANMJWQO-XJIZNKBASA-N 337.460 3.480 50 1 EGGF O=c1[nH]c2ccccc2nc1N/N=C1\CCCC[C@@H]1Br 45337088 BEWBCGLUXYIUDF-QDUVGAFFSA-N 335.205 3.029 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C[C@@H](OC(C)(C)C)[C@@H]1Cl)[C@@H](C2)C3=O 587420154 IPECLQCHZMRWNZ-QRKZQPCCSA-N 336.815 3.376 50 1 EGGF CCCOc1cc2nc([C@H](N)CCl)[nH]c2cc1Br 587010686 NELWZEIJBIWFEF-MRVPVSSYSA-N 332.629 3.353 50 1 EGGF N[P@@](=O)(OCc1ccc(F)cc1F)N(CCCl)CCCl 100950141 ALKRPRUKSFHKAM-HXUWFJFHSA-N 347.129 3.328 50 1 EGGF C=C1C(=O)O[C@H]2CC(C=O)=CCCC(COC(=O)CC(C)C)=CC[C@@H]12 2356676805 ZIISLDTWBFIFEJ-ROUUACIJSA-N 346.423 3.299 50 1 EGGF CC(=O)O[C@@H]1[C@@H](Cl)C2=C(COC2=O)[C@@]2(C)CCCC(C)(C)[C@H]12 29041967 VSZWKJIFSQDWII-QDEZUTFSSA-N 326.820 3.225 50 1 EGGF CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@@H]1O4 195243558 NEWNOEXLDGMFRU-IMTJIVIZSA-N 337.460 3.336 50 1 EGGF COC(C)(C)[C@]1(CBr)CC(=O)c2cc(C)cc(N)c2O1 587376866 YHOXENVCKHTWLR-OAHLLOKOSA-N 342.233 3.101 50 1 EGGF N#C/C(=C\c1ccc(Br)cc1)n1nnc2cnccc21 1857630195 DUWZSWUVCBQTGV-KPKJPENVSA-N 326.157 3.110 50 1 EGGF C/C(=N\NC(=O)Nc1nnc(S)s1)c1ccc(Cl)cc1 28863656 ZFQFPYLMIYXQLH-MKMNVTDBSA-N 327.822 3.026 50 1 EGGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@H](Br)C[C@H]2OC 2356307720 NCJDUNOKUIFHSN-AQGHMYMLSA-N 343.261 3.069 50 1 EGGF CCC(=O)O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911572329 WZTNDRRNZCBNJS-UDBWOWTPSA-N 340.416 3.148 50 1 EGGF C[C@@H](OC(=O)CCl)c1cccc2nc3c(C(=O)O)cccc3nc12 14451290 IHLMRBZVFFWSTF-SECBINFHSA-N 344.754 3.324 50 1 EGGF biogenic CCCC[C@@H](/C=N/NC(=O)NC(C)(C)C)NC(=O)OC(C)(C)C 28570121 HIIWHKHVROYNNT-OOIIIRTPSA-N 328.457 3.153 50 1 EGGF O=P(CCN=C=S)(OCC(F)(F)F)OCC(F)(F)F 1772625494 SQGPZXQNCMETES-UHFFFAOYSA-N 331.174 3.440 50 1 EGGF C[C@H](O)c1ccc(NC(=O)CCSSCCN(C)C)cc1 618007848 RHRFBBQCKMVMHP-LBPRGKRZSA-N 328.503 3.012 50 1 EGGF CCOC(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972052 DKESPOREOREPFV-UHFFFAOYSA-N 325.206 3.457 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@@]42OO3 169340438 VTVOEKXJXVLZMI-WUSACFTBSA-N 348.386 3.476 50 1 EGGF O=C(N/N=C\c1ccccc1O)c1cc2c(cn1)[nH]c1ccccc12 103175706 PNIYKUDSDYMATH-FBHDLOMBSA-N 330.347 3.186 50 1 EGGF CC(=O)O[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)c1ccccc1 43409014 FPKFDUUEZAGMKN-MRXNPFEDSA-N 329.308 3.195 50 1 EGGF C=C1C(=O)O[C@@H]2C[C@]3(C)[C@@H](CC[C@H](C)OC(=O)CCl)[C@@H]3C[C@H]12 103202719 PTKFUNXZYQMYMW-YSGFJIHRSA-N 326.820 3.081 50 1 EGGF CO[C@@]12CC[C@@H](O)[C@@](C)(CC[C@@H]3C(C=O)=C[C@@H](C=C(C)C)[C@H](O)[C@H]31)C2 85643249 TZRPXELZEHHLAX-HHTBEQNGSA-N 348.483 3.031 50 1 EGGF C=CCN1C(=O)[C@@H]2SS[C@@]1(CC=C)C(=O)N2Cc1ccccc1 1857586354 LPMHHTBELBGBOU-RDJZCZTQSA-N 346.477 3.037 50 1 EGGF CCOC(=O)[C@]1(C/C=C/CBr)Cc2ccccc2C1=O 1860182 FGOOWFDSMKOWAQ-SQRWCISFSA-N 337.213 3.316 50 1 EGGF COc1ccc2c(c1)c(CC(=O)NN)c(C1CC1)n2Cc1ccccc1 13445924 WOQOZPVMWYJUNB-UHFFFAOYSA-N 349.434 3.108 50 1 EGGF C=C1C(=O)O[C@H]2CC(C=O)=CCCC(COC(=O)C=C(C)C)=CC[C@@H]12 2356680440 IYNCTXVRKOBMAK-ROUUACIJSA-N 344.407 3.219 50 1 EGGF O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1cccc(C(F)(F)F)c1 40933256 FMPHUAVUVFHZJL-REZTVBANSA-N 343.286 3.439 50 1 EGGF [C-]#[N+][C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(CO)c4)c23)C1 1772628233 SFEANHNCEWNVMQ-HNNXBMFYSA-N 333.395 3.005 50 1 EGGF C[C@]1(CC(=O)NCc2ccc3c(c2)OCC3)CC2(CCCCC2)OO1 49745191 ZFHIOYANRKWHPJ-IBGZPJMESA-N 345.439 3.441 50 1 EGGF CSc1nn(-c2ccccc2)c(NCCCN=C=S)c1C#N 103296230 GVQPCUJEIJHSMD-UHFFFAOYSA-N 329.454 3.371 50 1 EGGF C=C(CCl)[C@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 14689017 WVAGDJQCWBNFRK-OAHLLOKOSA-N 341.794 3.496 50 1 EGGF endogenous,in-man CC(C=O)=CCc1c(O)cc(O)c2c1O[C@@H](c1ccccc1)CC2=O 2356786199 ZJSBETNMBPEILM-GOSISDBHSA-N 338.359 3.492 50 1 EGGF CC(/C=N\NC(=O)CCn1nnc2ccccc21)=C\c1ccccc1 33363210 JPSONCIEDWDVCX-HAGPRARUSA-N 333.395 3.027 50 1 EGGF CCOC(=O)[C@](C#N)(Cc1ccc(Cl)cc1)OOC(C)(C)C 95556659 NWMKLVVRHPUKQZ-MRXNPFEDSA-N 325.792 3.455 50 1 EGGF COc1ccc(C(=O)N(C)/N=C/c2ccc(Cl)cc2)cc1OC 95557399 QQHUYDDNUYDMKJ-YBFXNURJSA-N 332.787 3.463 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCCO3 586970884 HXSCOQPIECEFKY-GFCCVEGCSA-N 341.205 3.195 50 1 EGGF O=C(NCCCl)Nc1nccnc1OCc1cccc(Cl)c1 1857771500 KVUMVQQRUNCRHT-UHFFFAOYSA-N 341.198 3.069 50 1 EGGF CC1(CCC(=O)Nc2cccc(N)c2)OOC2(CCCCC2)OO1 103239204 RLYBPFCBSWMTQW-UHFFFAOYSA-N 336.388 3.274 50 1 EGGF O=C(NNc1cccc2ncccc12)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 101627097 YPJOCOJIDCUMRT-RCRDTURJSA-N 337.423 3.009 50 1 EGGF C=C[C@]1(C)C=C(C=O)[C@]2(CC1)OC(=O)[C@@H]1C(C)(C)CCC[C@]12C(=O)O 2356839192 LRRZMKRUDVFTBA-YGBSJELFSA-N 346.423 3.291 50 1 EGGF Cc1cc(CCCCCCCOc2ccc(C(=O)NN)cc2)on1 27768587 TZWWSBSEYWLMKA-UHFFFAOYSA-N 331.416 3.159 50 1 EGGF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 195288343 SPQAXOKESMSRHK-NNYAZXJUSA-N 347.411 3.478 50 1 EGGF CC(C=O)=CCCC(C)(C)[C@H](O)C=CC(C)=CC(=O)C1=CC=CCN1 2356438473 HKDNEEYQAXBOEQ-HXUWFJFHSA-N 343.467 3.414 50 1 EGGF C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@@H](C)OC(=O)C(C)=CC 2356662997 PKELIJXLXBJDKX-NVXWUHKLSA-N 346.423 3.464 50 1 EGGF COc1ccc(OC(=O)c2ccccc2OC(C)=O)c(/C=C/C=O)c1 1857652212 OUBCCNWBQVXEJZ-AATRIKPKSA-N 340.331 3.052 50 1 EGGF CC(C)[C@@]12C=C3CC[C@H]4[C@@](C)(CO)[C@@H](O)CC[C@]4(C)[C@]3(CC1)OO2 1857643367 HMMKAZVPTLXPHU-CFSBILQPSA-N 336.472 3.372 50 1 EGGF FC(F)(F)c1nc(Cl)[nH]c2nc(/C=C/CBr)nc1-2 586973569 LNOYKDZFPKYPLY-OWOJBTEDSA-N 341.518 3.385 50 1 EGGF CC(C)(F)[C@H](Br)c1nc2cc3c(cc2[nH]1)OCC(=O)N3 587087647 SKALSRMQRLCOGB-LLVKDONJSA-N 342.168 3.078 50 1 EGGF C[C@@H](Cl)CC(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 1857570556 PAMNZIVPEOWJMN-SSDOTTSWSA-N 326.765 3.069 50 1 EGGF COC(=O)c1ccc2nc(CCCCBr)[nH]c2c1OC 586972421 QKSKPBOYLCIBKJ-UHFFFAOYSA-N 341.205 3.076 50 1 EGGF CC(=O)Oc1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587621059 NYDMZAFFBRMNAB-UHFFFAOYSA-N 342.580 3.471 50 1 EGGF C[C@H](Br)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587008818 PAPVRXIIJCDNHZ-BYPYZUCNSA-N 347.994 3.480 50 1 EGGF CCC#C[N@@+]1(Cc2nc(-c3ccc([C@@H](N)N=O)cc3)cs2)COO1 958043830 IPWYCENVINKXEY-OXJNMPFZSA-N 345.404 3.056 50 1 EGGF CN1CC[C@]23C[C@H](CBr)O[C@]2(C)[C@H]1Cc1ccccc13 169316859 VGARAKIDTRLQIL-MWQQHZPXSA-N 336.273 3.127 50 1 EGGF CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCC3 45259757 IEZARFYUNAGAIO-UHFFFAOYSA-N 346.477 3.404 50 1 EGGF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@]1(CO1)[C@@H]2[C@H]1C=C(C=O)C[C@@H](O)O1 139925991 AOWVFIQKQZUTKB-YDIIJOILSA-N 334.456 3.231 50 1 EGGF C[C@H](Br)c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587009304 ZHVYUEPTMCWKMQ-QMMMGPOBSA-N 348.204 3.078 50 1 EGGF CC(=O)n1cc(/C=N\NC(=O)c2sc(C)nc2C)c2ccccc21 33405751 SENCRTQZPSCASX-LSCVHKIXSA-N 340.408 3.139 50 1 EGGF CN(C)CCSSCCCNC(=O)c1ccc(F)cc1F 618007636 CWKMHPHMZQRXIC-UHFFFAOYSA-N 334.457 3.028 50 1 EGGF CCCN(C(=O)CCl)[C@@H]1CCc2cc(OC)c(OC)cc2C1 29553250 POJSEDBWYJIJGR-CQSZACIVSA-N 325.836 3.039 50 1 EGGF CN(C)CCSSCCCn1cc(-c2ccc(F)cc2)nn1 618009655 GRXUGFNHYQWMMX-UHFFFAOYSA-N 340.493 3.417 50 1 EGGF Cc1nc2[nH]c(/C=C\CBr)nc2cc1Br 586972683 ZGGZFHFYPYVTMV-IHWYPQMZSA-N 331.011 3.437 50 1 EGGF CCOC(=O)[C@@H](Cl)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495691 FMWLVMNYROCJDH-SJLPKXTDSA-N 336.815 3.460 50 1 EGGF C[C@@H](O)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103104464 NFXJBPLHBGOAMA-KQJANQFBSA-N 326.433 3.008 50 1 EGGF COc1cc2c3c(c1)O[C@](CCl)(c1ccc(C#N)cc1)[C@@H](C2)C3=O 587418302 UAMBKYIEXQXACS-HNAYVOBHSA-N 339.778 3.449 50 1 EGGF CO[C@]12CCC[C@@H](C1)C[C@](C)(CI)OO2 100921640 YGVVYQRWFQFZLS-MXWKQRLJSA-N 326.174 3.065 50 1 EGGF CN(C)CCSSCCNC(=O)Nc1ccccc1Cl 618007767 OZDHTCQWAWJANH-UHFFFAOYSA-N 333.910 3.405 50 1 EGGF N#CC1=C2S[C@H]3CCCC[C@@]3(O)N2C(=N)[C@@H](C#N)C12CCCCC2 169687430 LDEJFHQSLUPGFG-IAISJRAMSA-N 342.468 3.483 50 1 EGGF CC(C)c1ccc(OCC(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1 33302026 WSGVSFJEKGOPIC-ODLFYWEKSA-N 341.367 3.247 50 1 EGGF COc1cc(C(=O)N/N=C/c2ccc(O)c3ccccc23)ccc1O 13864060 YKVASIUVTUURNE-RGVLZGJSSA-N 336.347 3.024 50 1 EGGF Cc1ccc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)cn1 27409650 FCBQLYSJKWTDGF-UHFFFAOYSA-N 329.739 3.454 50 1 EGGF N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)[C@@H]1CCOC1 100784929 YSYRGNVRWOFVJJ-MMZVIXLHSA-N 326.274 3.016 50 1 EGGF Cn1cc(Cl)c(C(=O)N/N=C\c2ccc3c4c(cccc24)CC3)n1 33309592 GEYQJEDTCQZFOG-UKWGHVSLSA-N 338.798 3.089 50 1 EGGF COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1N 13780611 NBGTZBKNZLIMFN-VGOFMYFVSA-N 340.379 3.367 50 1 EGGF COC(=O)C=C(C(C)=O)[C@@H]1CC[C@@](C)(Cl)[C@@H](Br)C1 2356478074 QTMNXLZAJOBDAZ-SUZMYJTESA-N 337.641 3.236 50 1 EGGF Cc1ccc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 587189052 ZLFRHGMAKIRSJU-MDWZMJQESA-N 339.376 3.182 50 1 EGGF N#CC1=C(N)Oc2c(F)cc(F)cc2[C@@H]1CC(=O)c1ccccc1 1857656011 IQIYYYBQEKWNDN-LBPRGKRZSA-N 326.302 3.408 50 1 EGGF C[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccccc1C(F)(F)F 587099213 ZMOFUJNIYFJKKD-VIFPVBQESA-N 348.328 3.337 50 1 EGGF N#CC1=C2S[C@@H]3CCCC[C@@]3(O)N2C(=N)[C@@H](C#N)C12CCCCC2 169687428 LDEJFHQSLUPGFG-DFHBCGBQSA-N 342.468 3.483 50 1 EGGF Nc1nc(NCc2ccc(F)cc2)ccc1NC(=O)OCCCl 26820118 LZDXLZZTGCOEBA-UHFFFAOYSA-N 338.770 3.202 50 1 EGGF CC=C(C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@@H]21 2356614279 OINHBRHDESHNCM-OWLYRPNTSA-N 346.423 3.298 50 1 EGGF CC=C[C@@H]1CO[C@]2(C)Oc3c(C(C=O)=CCC)coc(=O)c3C[C@@H]12 2356723020 XCCRIMCUROIIKJ-ACWOFJMJSA-N 330.380 3.122 50 1 EGGF CCO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@@]24OO3 195242190 VTVOEKXJXVLZMI-XBIURAJISA-N 348.386 3.476 50 1 EGGF Cc1cc(C(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)[nH]n1 8556262 HGDVHJGETZQTHS-NVMNQCDNSA-N 328.759 3.395 50 1 EGGF CCS(=O)(=O)c1ccc2nc(CCCCBr)[nH]c2c1 586972424 QOKAKAXXVOGRRL-UHFFFAOYSA-N 345.262 3.074 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]23OO4 169371124 SPQAXOKESMSRHK-FJRGAVDASA-N 347.411 3.478 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CC=CC(C=O)=C(OC(=O)CCC)C[C@@H]12 2356699518 WQFIEBAASGBAFX-DOTOQJQBSA-N 330.380 3.177 50 1 EGGF COc1cc2c3c(c1)O[C@@](C(=O)Cl)(c1ccc(F)cc1)[C@@H](C2)C3=O 587429705 WPCNJISAMMASOT-UGSOOPFHSA-N 346.741 3.243 50 1 EGGF CC[C@@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414771 OIYSWXYSFUYGLX-UQHVFFSPSA-N 325.202 3.375 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CBr)(C(C)=O)CC2=O 587456096 KOXBPKIRTZWKNQ-HNNXBMFYSA-N 341.201 3.033 50 1 EGGF COc1cc2c3c(c1)O[C@@H]([C@@H](Br)C(C)C)[C@@H](C2)C3=O 587413562 HHJIMPRFTKOLRX-VZJVUDMVSA-N 325.202 3.231 50 1 EGGF COc1cc2c3c(c1)O[C@](C1CC1)([C@@H](C)Br)[C@@H](C2)C3=O 587413347 HACYLHAOPRUHPO-CVKUXFQVSA-N 337.213 3.375 50 1 EGGF C/C=C(/C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C1=C\O 238778391 HUJVAYKPOUYFBT-URTDTJLLSA-N 336.391 3.201 50 1 EGGF CC(C)=CCOc1cc(O)c2c3c(c(O)cc(C)c13)C(=O)OC2=O 166065269 ZOZPTHDYPNVZFI-UHFFFAOYSA-N 328.320 3.215 50 1 EGGF COc1ccc(CCC(=O)NNc2c(Cl)cncc2Cl)cc1 84654745 HOXKFPKCVZPFGQ-UHFFFAOYSA-N 340.210 3.473 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CCl)(CCC(=O)OC)CC2=O 587457699 BFJDHEVHBBFATD-KRWDZBQOSA-N 340.803 3.241 50 1 EGGF CCOC[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545208 QDEAGVKKHZYVCZ-YJBOKZPZSA-N 348.782 3.368 50 1 EGGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C(C#N)=C\N(C)C)N1 587742873 UNAGVFVYAFOLJQ-GKEKJBNQSA-N 338.224 3.133 50 1 EGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C\N(C)C)N1 587739383 GUCDAVVFGCYXKD-DSDFWKTNSA-N 338.224 3.133 50 1 EGGF CC(C)(C)c1cc(/C=C(\C#N)C(=O)NCCO)cc(C(C)(C)C)c1O 1658001 LEMDPLWLKDWROF-NTEUORMPSA-N 344.455 3.003 50 1 EGGF COC[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685601 ACHFTPYVNIVWOH-ISVAXAHUSA-N 336.632 3.203 50 1 EGGF Cc1ccc(-n2nc(-c3ccc(Cl)cc3)cc2C(=O)NN)cc1 957611450 MLUCGIRKIZDCAH-UHFFFAOYSA-N 326.787 3.105 50 1 EGGF CC(C)(C)OC(=O)Nc1ccc(/C=N/NC(=O)c2ccccn2)cc1 95808842 LMMVMFSLRUWTQH-UDWIEESQSA-N 340.383 3.193 50 1 EGGF O=[N+]([O-])c1c(Br)ccc2nc(CBr)[nH]c12 586971356 RBCLCOYLLWRXTJ-UHFFFAOYSA-N 334.955 3.129 50 1 EGGF COc1cc(OC)c2[nH]c([C@@H](Br)C(C)(C)OC)nc2c1 586971429 SCYHPQZWLCZGJQ-GFCCVEGCSA-N 343.221 3.441 50 1 EGGF Cc1cc2c(cc1F)[C@@](C1CC1)([C@H](Cl)C(=O)C(F)F)NCC2 962148696 UIOJYWNLBLENTF-ZBFHGGJFSA-N 331.765 3.327 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)CC(C)C)[C@@H]12 85889833 BSJGKIXNWXOEIX-GPIBSORCSA-N 346.423 3.298 50 1 EGGF CCOC(=O)N1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 43470174 NRFYSQCOUNLNAN-UHFFFAOYSA-N 337.416 3.066 50 1 EGGF CC1=C(C/C=N/NC(=O)CCCCCC(=O)NO)C(C)(C)CCC1 95808280 CDPVWMJTUAGZCX-CPNJWEJPSA-N 337.464 3.461 50 1 EGGF C[C@@H]1CC[C@H]2[C@H](CBr)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101839960 ICJKLGDDPGNBBS-BXPKWHOZSA-N 347.249 3.243 50 1 EGGF CC[C@H](C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@H]21 2356681359 QTYIREDCMKMWBG-KVDVXYDOSA-N 348.439 3.378 50 1 EGGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](CCCO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 195284751 BAJSYLWSYBXRPS-IRLPNBRMSA-N 326.433 3.009 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](C)([C@H](Cl)C(=O)OCC)CC2=O 587458020 FGCFHKZTIVUNBQ-NVXWUHKLSA-N 340.803 3.239 50 1 EGGF CC1=Nc2ccccc2/C1=C/NNC(=O)CCC(=O)Nc1ccccc1 103981123 UVIVETMPYUXNNG-GHRIWEEISA-N 348.406 3.173 50 3 EGGF N#C/C=C1/c2ccccc2N=C(N2CCC(O)CC2)c2ccccc21 49649406 RJTNSFUFRIRFBU-RQZCQDPDSA-N 329.403 3.490 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CCl)(CC(=O)OCC)CC2=O 587459958 RAEBWXNPIZUNRM-QGZVFWFLSA-N 340.803 3.241 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 153512716 ZQLIFPFEXOQKRV-LGROYPRBSA-N 346.423 3.298 50 1 EGGF biogenic C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)C=C(C)C)[C@H]12 2356484337 QJGMYCJDXVYSEU-ZIFCJYIRSA-N 344.407 3.218 50 1 EGGF O=C(NNC(=S)Nc1ccc(F)cc1F)c1cc2ccccc2[nH]1 73129494 ZMQIILGHBGXYHL-UHFFFAOYSA-N 346.362 3.078 50 1 EGGF COC(=O)c1cccc2nc([C@@H](Br)C(C)(C)OC)[nH]c12 586971688 WPPBRMSIZZWXCG-LLVKDONJSA-N 341.205 3.211 50 1 EGGF COc1cc(/C=N/N(C)C(=O)OCc2ccccc2)cc(OC)c1O 299840264 WOOUCJDJKDVRLQ-YBFXNURJSA-N 344.367 3.012 50 1 EGGF CC1(C)C=C2C(=NN(c3cccc(C(F)(F)F)c3)C(N)=C2C#N)CO1 13838659 BYBKVJYCDICYOW-UHFFFAOYSA-N 348.328 3.310 50 1 EGGF CC1(C)[C@@H]2CC=C3C(=O)OC[C@H]3O[C@]2(C)CC[C@H]1Br 14854590 BEMNKPXNGWTBLQ-NWJSVONSSA-N 329.234 3.217 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101268608 SPQAXOKESMSRHK-RRTZAIATSA-N 347.411 3.478 50 1 EGGF CC(C)=CCn1cc(/C=N/NC(N)=O)c2cc(Br)ccc21 1857557264 FJPFPNIOAZVDML-QGMBQPNBSA-N 349.232 3.372 50 1 EGGF Cc1ccc(C=NNC(=O)c2cc(Cl)ccc2C(=O)NC(C)C)o1 472791553 BUWGEYQSOXVEID-UHFFFAOYSA-N 347.802 3.144 50 1 EGGF C=C1CCC=C(C(=O)O)C[C@@H](OC(C)=O)CC(C)(C)C[C@H]1OO 2356320843 QZKOWBFMGNVIGO-HUUCEWRRSA-N 326.389 3.334 50 1 EGGF CN(C)CCSSCCCNC(=O)c1c(F)cccc1F 618008262 WKDQMHMMWOYMQR-UHFFFAOYSA-N 334.457 3.028 50 1 EGGF C/C(C=O)=C\Cc1c(O)cc(O)c2c1O[C@H](c1ccccc1)CC2=O 59775988 ZJSBETNMBPEILM-NUCSPZLJSA-N 338.359 3.492 50 1 EGGF CCN(CCO)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1 299857893 DGDWORKYPDSFKZ-DTQAZKPQSA-N 332.407 3.446 50 1 EGGF C[C@H](Cl)C(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 201463991 XEUQCOOBRQZZES-SUMWQHHRSA-N 348.874 3.046 50 3 EGGF C=C1[C@H](F)[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 238757948 WKCZSMWYYNNWGT-ZQFDCJIWSA-N 348.414 3.392 50 1 EGGF Cc1ccc(NC(=O)NCCSSCCN(C)C)cc1F 618007895 TZZGCBVZHZPGOW-UHFFFAOYSA-N 331.482 3.199 50 1 EGGF CC(C)c1nn(C)c2c1[C@@](CCl)(COc1ccccc1)NCC2 962916108 IWBMKFHVZUISTA-GOSISDBHSA-N 333.863 3.202 50 1 EGGF Cc1nc2ccccn2c1P(=O)(c1ccccc1)c1ccccc1 38142189 KDFKDJBJZCEIIU-UHFFFAOYSA-N 332.343 3.282 50 3 EGGF COC[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685603 ACHFTPYVNIVWOH-SDBXPKJASA-N 336.632 3.203 50 1 EGGF CN(C)CCSSCCNC(=O)CCc1ccc(Cl)cc1 618009550 ZNHAJZXPOBLIJW-UHFFFAOYSA-N 346.949 3.332 50 1 EGGF C[C@]1(C(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499278 LSNLQHYNNGWTCC-MRXNPFEDSA-N 337.213 3.253 50 1 EGGF CCOc1ccc([C@H]2C[C@H]2C(=O)NNc2nncc3ccccc23)cc1 49113036 JSKIICULUKHVJU-QZTJIDSGSA-N 348.406 3.275 50 1 EGGF C[C@H](Cl)C(=O)NC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498499 OAFBEHQEHAUBIY-VOJFVSQTSA-N 335.831 3.033 50 1 EGGF CCCc1n[nH]c2c1[C@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 5095134 SSBUVBZNWJOTNF-CQSZACIVSA-N 326.425 3.302 50 1 EGGF O=C(NNC(=S)Nc1cc(F)ccc1F)c1cccc(Cl)c1 66102561 GTMHEDSSWXSLFN-UHFFFAOYSA-N 341.770 3.250 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2ccc(C(=O)O)cc2[nH]1 586970781 GQTAPYWCPUDMRL-SNVBAGLBSA-N 327.178 3.122 50 1 EGGF O=C(O)c1cccc2c1CCN[C@@]21CCCCC[C@H]1Br 963132641 RMSQZZRMVFBXNI-ZBFHGGJFSA-N 338.245 3.453 50 1 EGGF Cc1ccc(/C=C(\C#N)c2nc3nc(Br)c[nH]c-3n2)cc1 587187880 MHYROETXVWMUDQ-IZZDOVSWSA-N 340.184 3.440 50 1 EGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(O)cc1)[C@@H](C2)C3=O 587418002 QYLPJLYDKOBVBY-KSSFIOAISA-N 330.767 3.283 50 1 EGGF CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@H]2CC[C@H]3CCCC[C@]13OO2 100860126 NXSGPNQYOYQCRZ-RFXPCRSYSA-N 348.395 3.468 50 1 EGGF COc1cc2ccc(=O)oc2cc1OCCCCBr 95586215 XWFLKMVURFBRSJ-UHFFFAOYSA-N 327.174 3.356 50 1 EGGF COc1ccc2c(c1)c([C@H](C)C(=O)NN)c(C)n2Cc1ccccc1 13445992 YODQGLJKUIQGJB-ZDUSSCGKSA-N 337.423 3.100 50 1 EGGF O=C(CNc1cccc(Oc2ccccc2)c1)N/N=C/c1ccncc1 201288330 QNWKTVKWUCLLKW-OEAKJJBVSA-N 346.390 3.436 50 1 EGGF Cc1ccnc(OC(=O)c2cc3cc(CCl)ccc3oc2=O)c1 13557554 QSQZXZAGHLXCHR-UHFFFAOYSA-N 329.739 3.454 50 1 EGGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](CCCO)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 101339598 BAJSYLWSYBXRPS-AVVPIEIESA-N 326.433 3.009 50 1 EGGF CC(C)[C@@H](CCl)N(C)[C@@H]1c2cc(C#N)ccc2OC(C)(C)[C@H]1O 96941775 BKXKNFGQPIAIET-OIISXLGYSA-N 336.863 3.326 50 1 EGGF Cc1ccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)cc1 26157333 QKRIDFDTGDPMGX-SFHVURJKSA-N 343.854 3.463 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)CC(C)C)=CC[C@@H]12 2356676806 ZIISLDTWBFIFEJ-ZWKOTPCHSA-N 346.423 3.299 50 1 EGGF CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C/C#N)c1 34080934 FQIZDFQGOQZYDK-VQHVLOKHSA-N 335.407 3.080 50 1 EGGF O=C(CCc1ccc(F)cc1)N/N=C/c1cc(F)cc(Cl)c1O 49071354 BCOKMURDRWPSBL-AWQFTUOYSA-N 338.741 3.407 50 1 EGGF CO[C@]1(C)OC(=O)C=C1[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 169645736 HZRBFPFRPXJJQB-SKZLGDCLSA-N 337.641 3.393 50 1 EGGF COc1ccc(Cl)cc1C#Cc1ccc(NC(=O)CCl)nc1 587908316 QKJUHHZGEGCGHJ-UHFFFAOYSA-N 335.190 3.321 50 1 EGGF CCCN(C[C@H](C)Br)[C@H]1CCc2cc(O)c(O)cc2C1 58558775 IABOSHQOQBDMBE-FZMZJTMJSA-N 342.277 3.451 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)C(C#N)=COc2ccc(F)cc21 587383765 GFFHLXNWHLWUHL-IBGZPJMESA-N 336.322 3.377 50 1 EGGF O=C1OC(=O)c2cc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)ccc21 586908208 QUEHPMNCWAUQPC-UHFFFAOYSA-N 334.118 3.242 50 1 EGGF COc1cc2c3c(c1)O[C@](CCl)(c1c(C)noc1C)[C@@H](C2)C3=O 587416722 DAKVKYTWLVOALK-SJCJKPOMSA-N 333.771 3.182 50 1 EGGF C#CC=CC[C@@H]1O[C@H]2C[C@H]1O[C@H](CC)[C@@H](Br)C[C@@H]2OC 2356307721 NCJDUNOKUIFHSN-OHQCYIMMSA-N 343.261 3.069 50 1 EGGF C=C1[C@H]2CC[C@H]([C@]3(C)CCC[C@]4(C)C(=O)OC(=O)[C@H]43)[C@@](C=O)(C2)[C@H]1F 2356598650 WKCZSMWYYNNWGT-IVEVATEUSA-N 348.414 3.392 50 1 EGGF Oc1nc(NCc2ccccc2)c2nc([C@@H](Cl)CCl)nc-2[nH]1 587009241 YOIAEVPRGFYBOD-VIFPVBQESA-N 338.198 3.141 50 1 EGGF COc1cc2nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c2cc1Cl 586907306 LHSLJRKGUGCFPE-UHFFFAOYSA-N 328.711 3.203 50 1 EGGF O=C(Cc1nsc2ccccc12)N/N=C/c1c(F)cccc1F 1857773498 QAYVBRSMHNWCOW-DJKKODMXSA-N 331.347 3.267 50 1 EGGF CCOC(=O)[C@@](C#N)(Cc1ccc(Cl)cc1)OOC(C)(C)C 95556660 NWMKLVVRHPUKQZ-INIZCTEOSA-N 325.792 3.455 50 1 EGGF O=C(NN/C=C1\C=Nc2ccccc21)c1cc(-c2ccccc2)n[nH]1 13119013 PUOQCFVLRIUSMI-WYMLVPIESA-N 329.363 3.068 50 3 EGGF CCCc1c(O)ccc2c1O[C@](CCl)(CCC(=O)OC)CC2=O 587457700 BFJDHEVHBBFATD-QGZVFWFLSA-N 340.803 3.241 50 1 EGGF C=C1CC/C=C(\C(=O)O)C[C@@H](OC(C)=O)CC(C)(C)C[C@@H]1OO 238746664 QZKOWBFMGNVIGO-YGTTZKIMSA-N 326.389 3.334 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@@H]1C[C@H]1C 1857554578 PMMSIFJUVYIACX-VVMZWDDLSA-N 347.802 3.104 50 1 EGGF CCOc1ccc([C@H]2C[C@@H]2C(=O)NNc2nncc3ccccc23)cc1 49113034 JSKIICULUKHVJU-MSOLQXFVSA-N 348.406 3.275 50 1 EGGF O=C(Cc1cccs1)Nc1cc2c3c(cccc3c1)C(=O)OC2=O 95583041 KDTWGFKNQWTYBP-UHFFFAOYSA-N 337.356 3.393 50 1 EGGF COC(=O)c1cc(Cl)c2[nH]c(/C=C/CBr)nc2c1 586973611 MHYXHXCYJBGVMB-NSCUHMNNSA-N 329.581 3.411 50 1 EGGF O=C(N/N=C/c1cccc(Br)c1O)c1cccc(F)c1 1857561951 JUUHMBIPFHAKNR-CAOOACKPSA-N 337.148 3.058 50 1 EGGF C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)C(C)=CC 2356662996 PKELIJXLXBJDKX-DOTOQJQBSA-N 346.423 3.464 50 1 EGGF Oc1ccc(OCCc2ccccc2)n1-c1ccnc(CCl)n1 587938996 ACEMBHSLQIJNBH-UHFFFAOYSA-N 329.787 3.333 50 1 EGGF BrCc1nc2ccc(I)cc2[nH]1 586972344 MYDUAMNNWJHQRW-UHFFFAOYSA-N 336.958 3.062 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)C(C)(C)C 1857567923 QNJPEOJANXDMHZ-DJKKODMXSA-N 349.818 3.494 50 1 EGGF CO[C@]12CCC[C@@H](C1)[C@H](I)C(C)(C)OO2 100921513 XFIPHMGAKWWEAX-QXEWZRGKSA-N 326.174 3.063 50 1 EGGF C[C@@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1 26569656 QAYXMZXZSUTAFI-QMWCZEAPSA-N 349.519 3.482 50 1 EGGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C(C#N)=C/N(C)C)N1 587757328 UNAGVFVYAFOLJQ-UNENQYBWSA-N 338.224 3.133 50 1 EGGF O=C(O)c1cccc2c1CCN[C@@]21CCCCC[C@@H]1Br 963132640 RMSQZZRMVFBXNI-HOCLYGCPSA-N 338.245 3.453 50 1 EGGF O=C(N/N=C/c1c[nH]c2cc(F)ccc12)C(=O)c1c[nH]c2ccccc12 1857744611 NNQJWFPXSPILHW-NUGSKGIGSA-N 348.337 3.121 50 1 EGGF CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H]1O4 101274608 SYUYRWDANMJWQO-VHBIRMJSSA-N 337.460 3.480 50 1 EGGF NNC(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896924 UPYCWHYCEKYWBN-UHFFFAOYSA-N 344.374 3.206 50 1 EGGF ClCCN(CCCl)c1ccc(C=NNc2ncccn2)cc1 254071173 QRHJAHSNTXASJS-UHFFFAOYSA-N 338.242 3.207 50 3 EGGF CC[C@H](C)c1cc(C(=O)NCCCSSCCN(C)C)on1 618016694 ACQPFPSXOWQAMY-LBPRGKRZSA-N 345.534 3.251 50 1 EGGF COC(=O)/C(C#N)=C1\CC[C@H](Nc2cccc(C(F)(F)F)c2)N1C 17197672 MWUANIGCVSNLIN-XTZCOPOCSA-N 339.317 3.120 50 1 EGGF NNC(=O)c1cc(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 957608747 YETDORROJDVRKT-UHFFFAOYSA-N 347.205 3.450 50 1 EGGF CC(C)c1nn(C)c2c1[C@@H](c1ccc(N(C)CCCl)cc1)NCC2 962912732 PJKVUNPTRJSVPZ-LJQANCHMSA-N 346.906 3.454 50 1 EGGF CC1(C)[C@@H](Br)CC[C@@]2(C)O[C@@H]3COC(=O)C3=CC[C@@H]12 14854587 BEMNKPXNGWTBLQ-OXJKWZBOSA-N 329.234 3.217 50 1 EGGF O=C(NCCCl)Nc1nccnc1OCc1ccccc1Cl 1857655149 LZJLVXQSOBOWHX-UHFFFAOYSA-N 341.198 3.069 50 1 EGGF O=[N+]([O-])c1cc2nc(CCCCBr)[nH]c2cc1[N+](=O)[O-] 586972050 DJHPTLRKISCOJY-UHFFFAOYSA-N 343.137 3.097 50 1 EGGF Cc1c(Cl)sc2ncnc(NNC(=O)c3ccccc3O)c12 1772651352 CWAPMUFOUJTECE-UHFFFAOYSA-N 334.788 3.116 50 1 EGGF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 587952910 XVNWKGAXVZVPJD-GHJWDPDVSA-N 330.432 3.213 50 1 EGGF CCOC[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545204 QDEAGVKKHZYVCZ-MAUKXSAKSA-N 348.782 3.368 50 1 EGGF COc1ccccc1-c1ccc(NNC(=O)NC2CCCCC2)nn1 653796590 HSGCUAAQNSHIOW-UHFFFAOYSA-N 341.415 3.111 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2cc(Br)c(F)cc2[nH]1 587009764 RGOAZZNNOBJECB-UHFFFAOYSA-N 348.603 3.055 50 1 EGGF N#CCC(=O)N/N=C\c1ccc(Sc2nc3ccccc3s2)o1 15989501 HNYHMEFJXIKZNV-MFOYZWKCSA-N 342.405 3.404 50 1 EGGF COc1ccc(Cl)cc1C#Cc1c(C(=O)Cl)nn2cccnc12 587911724 OPWJVJPBMZRZAP-UHFFFAOYSA-N 346.173 3.170 50 1 EGGF CO[C@@]1(c2ccc(S(C)(=O)=O)cc2)C=CC2(CCCCC2)OO1 38158546 OIDIWHMSXMZBGL-KRWDZBQOSA-N 338.425 3.110 50 1 EGGF Cc1c(F)ccc2c1[C@@](CBr)(C(F)(F)F)NCC2 962089311 GMBLULBKXKEUKP-NSHDSACASA-N 326.131 3.432 50 1 EGGF Cc1ccc(/C=C(/C#N)c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 587189112 ZZUFMOANWGCJJF-ZROIWOOFSA-N 337.404 3.339 50 1 EGGF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1cc(C(=O)CCl)c[nH]1 963635385 MJBZJGHSUKYZLH-XTZNXHDOSA-N 348.830 3.077 50 1 EGGF COC(=O)c1ccc2nc([C@H](Br)C(C)(C)OC)[nH]c2c1 586971712 XJVIDNFBPGSKAZ-NSHDSACASA-N 341.205 3.211 50 1 EGGF BrCCCCc1nc2ccnc(Br)c2[nH]1 586972043 CSLGNHXHAKZUMU-UHFFFAOYSA-N 333.027 3.438 50 1 EGGF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(C(=O)NN)cc2[nH]1 587952912 XVNWKGAXVZVPJD-RBOXIYTFSA-N 330.432 3.213 50 1 EGGF C=C1CC=C[C@@]2(C)CC[C@@H](C(C=O)=CC=CC(C)(C)O)[C@H]1C(=O)O2 2356476538 KTUFGDGBAVAMOZ-ZWOKBUDYSA-N 330.424 3.283 50 1 EGGF N#CC1=C(N)Oc2c(ccc3[nH]ccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 40767241 OEHGKAZGVGZZJD-INIZCTEOSA-N 332.319 3.294 50 1 EGGF CC[C@H](Br)C(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 13777731 WGTSVJTUAJQVEJ-GWCFXTLKSA-N 335.245 3.315 50 1 EGGF S=C=Nc1ccc2oc(-c3ccc(N4CCOCC4)nc3)nc2c1 141116469 YCUVIMGGMWBMMW-UHFFFAOYSA-N 338.392 3.461 50 1 EGGF C/C(=N\NC(=O)c1ccccc1)c1c(C)nn(-c2ccccc2)c1O 6556341 RBAZITZJIHTPNL-DEDYPNTBSA-N 334.379 3.040 50 1 EGGF C/C(=N\NC(N)=O)c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1 84713545 QRQICLBFHUPWBP-ZVBGSRNCSA-N 327.775 3.276 50 1 EGGF Cc1nc2c(C)cccc2cc1C(=O)N/N=C/c1ccc(C(=O)O)cc1 4660338 JFXIRRQBAXIAJX-SRZZPIQSSA-N 347.374 3.314 50 3 EGGF COc1cc2c3c(c1)O[C@](CCl)(COc1ccccc1)[C@@H](C2)C3=O 587417874 QDXUVDFXPZEBKS-HNAYVOBHSA-N 344.794 3.499 50 1 EGGF CC[C@H](C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103278885 DXESLKPLXSFJJQ-WHFBIAKZSA-N 346.172 3.305 50 1 EGGF O=C(CC1C2CC3CC(C2)CC1C3)N/N=C/c1ccc([N+](=O)[O-])o1 653889498 FUOPZXCUAGJJBW-GIJQJNRQSA-N 331.372 3.100 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4C(C)=C(F)C[C@@H]([C@H]1C)[C@]42OO3 169371264 ITLKWCXLCCFOJL-NZNAMNJKSA-N 328.380 3.448 50 1 EGGF O=C1O[C@H](c2ccc(F)cc2)C[C@]23OO[C@@]4(C=C12)CCCC[C@H]4O3 96934031 ISPWWFAGMPWYHY-IDCNUPLLSA-N 332.327 3.110 50 1 EGGF COC(=O)c1c(CCl)[nH]c2c1c(Br)cc1n[nH]cc12 587621689 ZNLWLKXSQHXLLY-UHFFFAOYSA-N 342.580 3.332 50 1 EGGF CC(=O)NCC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 49762218 QUSGUJGBDJRHGN-UHFFFAOYSA-N 335.444 3.140 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccnc1)O2 587370398 AVMCASMUTPLFRU-MRXNPFEDSA-N 347.212 3.228 50 1 EGGF Cc1cc2c(cc1F)[C@@](CBr)(c1cscn1)NCC2 962146449 ODJJNTSVLCKTHN-AWEZNQCLSA-N 341.249 3.375 50 1 EGGF O=C(N/N=C/c1ccc([N+](=O)[O-])s1)c1ccc(F)c(Cl)c1 40834635 VPFODIGHIFDRAY-GIDUJCDVSA-N 327.724 3.213 50 1 EGGF C[C@H]1OC2(CCN(C)CC2)C/C1=N\NC(=O)CCCC1CCCCC1 26569658 QAYXMZXZSUTAFI-AXNLMSORSA-N 349.519 3.482 50 1 EGGF CCC[C@@H](O)CC=C(Cl)C(=O)C(Br)Br 2356428526 OMEJWTQRUZYRCZ-ZCFIWIBFSA-N 348.462 3.345 50 1 EGGF CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@]23[C@H]1O4 169371528 SYUYRWDANMJWQO-CKDIOHLVSA-N 337.460 3.480 50 1 EGGF N#C/C(=C\c1ccc(Cl)cc1)C(=O)NCCc1ccc(O)cc1 13799948 ZOAKFIJMFNBGQH-RVDMUPIBSA-N 326.783 3.311 50 1 EGGF O=C(CNc1ccc(F)cc1)N/N=C/c1c(Cl)cncc1Cl 201288712 GODWYVSSCWEIHH-DENHBWNVSA-N 341.173 3.090 50 1 EGGF CC1=C(C#N)[C@H](c2cc3cn[nH]c3cc2F)C(C#N)=C(C(F)F)N1 116586274 PNYGFZQQBKYRMZ-AWEZNQCLSA-N 329.285 3.229 50 1 EGGF COC(=O)C1=CN(c2ccc(F)cc2)C(N)=C(C#N)[C@H]1c1ccccc1 95604294 SYOYURZMOOGQSM-GOSISDBHSA-N 349.365 3.180 50 3 EGGF CCCc1c(O)ccc2c1O[C@@](CCl)(/C(C#N)=C\N(C)C)CC2=O 587459098 MUAQFZMOIVJVIM-ANGAQGJPSA-N 348.830 3.257 50 1 EGGF COC(=O)C=C(C(C)=O)[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 2356478073 QTMNXLZAJOBDAZ-IRUJWGPZSA-N 337.641 3.236 50 1 EGGF O=C(CNc1cccc2ccccc12)N/N=C\c1ccc(C(=O)O)cc1 33282095 KDRSGAHOYNISDK-UUYOSTAYSA-N 347.374 3.100 50 1 EGGF CC1=Nc2ccccc2/C1=C/NNC(=O)c1cc(-c2ccccc2)n[nH]1 104034927 RMFOBYKTEVXTBJ-FOWTUZBSSA-N 343.390 3.458 50 3 EGGF CC(C)NC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1cccs1 103204117 ZTXLAKNCPFYIEH-GIJQJNRQSA-N 349.843 3.304 50 1 EGGF O=c1c2ccc(F)cc2ncn1CCCCCCBr 473123189 LAUOFQWBHXZMLS-UHFFFAOYSA-N 327.197 3.491 50 1 EGGF Fc1cnc(Br)c2[nH]c(/C=C/CBr)nc12 586973547 LFVQOQZMWYKGCG-OWOJBTEDSA-N 334.974 3.268 50 1 EGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C(C#N)=C/N(C)C)N1 587739390 GUCDAVVFGCYXKD-PESFEUQZSA-N 338.224 3.133 50 1 EGGF Cc1ccc(F)cc1NC(=O)NCCSSCCN(C)C 618007540 BWSOUUZUVNANHU-UHFFFAOYSA-N 331.482 3.199 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2ccc(Br)c(F)c2[nH]1 587009791 SSKGWXBZIPQAKE-UHFFFAOYSA-N 348.603 3.055 50 1 EGGF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(=O)N/C(=C/C#N)N2 587908746 IAUBAPHJIJAUHP-QGMBQPNBSA-N 349.777 3.269 50 1 EGGF CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@@H]2CC[C@H]3CCCC[C@@]13OO2 100860125 NXSGPNQYOYQCRZ-DZBHQSCQSA-N 348.395 3.468 50 1 EGGF O=C1c2c(ccc(O)c2O)CN1Cc1cccc(CBr)c1 28967077 ZPFIDFLFYXMNSL-UHFFFAOYSA-N 348.196 3.149 50 1 EGGF O=C(O)c1cn(Cc2ccc(N=C=S)cc2)c2ccccc2c1=O 169352849 MMQZOGKLHADSMA-UHFFFAOYSA-N 336.372 3.482 50 1 EGGF COc1ccc2cc([C@@H](C)C(=O)NN=C3CCN(C)CC3)ccc2c1 1857770607 CMMGZTQFICNWJL-CQSZACIVSA-N 339.439 3.150 50 1 EGGF COc1ccc(Cl)cc1C(=O)NCCSSCCN(C)C 618008162 SXNWWVZKIYTMOB-UHFFFAOYSA-N 348.921 3.021 50 1 EGGF N=C(CCl)NC/C=C/C(=O)NCc1cccc(-c2ccccc2)c1 1857571837 UTLSDQLDTDZRJB-BJMVGYQFSA-N 341.842 3.332 50 1 EGGF O=C(/N=C1\SSC2=NCCN21)c1ccc(C(F)(F)F)cc1 34053391 PHGRMYXTNIJDGD-BOPFTXTBSA-N 331.344 3.268 50 1 EGGF COc1ccc(/C=C(\C#N)c2cc(OC)c(OC)c(OC)c2)cc1O 38154375 GBUWWCAJZNCFFA-VGOFMYFVSA-N 341.363 3.491 50 1 EGGF O=C1CS[C@@H](c2c(F)cccc2F)N1[C@H]1CC[C@@H]1Br 40411802 MAUPWGKFJDNIPY-TXMMPKFLSA-N 348.212 3.465 50 1 EGGF NNC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085354 UMHPOFBUXPMZPC-UHFFFAOYSA-N 337.770 3.035 50 1 EGGF CCCCCO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl 205339060 GJWYIBCUPMZGSZ-FKIZINRSSA-N 347.223 3.417 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587429917 XTHFKAZLFXKSQD-YWZLYKJASA-N 349.317 3.277 50 1 EGGF O=C(c1ccccc1)N(/N=C/c1ccccc1O)C(=O)c1ccncc1 103171859 NCZFTRZZBHBFHM-HYARGMPZSA-N 345.358 3.104 50 1 EGGF CC(=O)OC(=O)c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586989214 BMULEGDVCSENAZ-UHFFFAOYSA-N 347.326 3.164 50 1 EGGF COc1cc2c3c(c1)O[C@](C)(CCCBr)[C@@H](C2)C3=O 587414530 WDLZSEPJPVSLKB-XHDPSFHLSA-N 325.202 3.376 50 1 EGGF Cc1[nH]nc2c1C1(C(C#N)=C(N)O2)c2ccccc2-c2ccccc21 5634715 DWYREZQPJRBHLO-UHFFFAOYSA-N 326.359 3.119 50 1 EGGF CCCc1c(O)ccc2c1O[C@](CCl)(/C(C#N)=C/N(C)C)CC2=O 587459106 MUAQFZMOIVJVIM-NCUBBLFSSA-N 348.830 3.257 50 1 EGGF [C-]#[N+][C@H]1CCCN(c2ncnc3[nH]cc(-c4cccc(C#N)c4)c23)C1 1772641176 AJGIHAIIKZOMID-HNNXBMFYSA-N 328.379 3.385 50 1 EGGF CNNC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553605 FRFPWIINLXHLSZ-UHFFFAOYSA-N 331.228 3.297 50 1 EGGF CC1(C)O[C@]2(C)[C@H]3CC[C@@](C)(O[C@@H]2C[C@H]1Br)[C@@H](O)C3 2356578186 IFRYZAZPOYZDBK-NMAMFNKQSA-N 333.266 3.026 50 1 EGGF C#CC=CC[C@]12O[C@H]([C@H](Br)CC)C[C@@]1(Cl)C=C[C@@H]2O 2356651298 IGMMYIKZUWHPMH-CAEXGNQWSA-N 345.664 3.175 50 1 EGGF CCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@H]1C 36289050 DSQVQJMNJPHULB-TXCMAPRMSA-N 337.508 3.482 50 1 EGGF O=C(Cc1ccccc1)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1Cl 5838458 PEIGGLUKUOJXLG-HZPDHXFCSA-N 349.217 3.105 50 1 EGGF O=C(O)c1cccc2c1CCN[C@]2(CCl)c1ccc(F)cc1F 963119403 DUYMOOIJLSTXLO-KRWDZBQOSA-N 337.753 3.291 50 1 EGGF CCOC(=O)c1c(O[C@H]2CCCC[C@@H]2Cl)c(CC)c(C)[nH]c1=O 45496411 IPLZOSSJDKECDW-STQMWFEESA-N 341.835 3.351 50 1 EGGF BrC[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772608428 SUNXMHYYMAXRJE-MGCOHNPYSA-N 334.221 3.274 50 1 EGGF Cc1ccc(/C(O)=C(\C=C(C#N)C#N)[n+]2ccc(N(C)C)cc2)cc1 209106904 NGZMHIXITFUAIC-VXPUYCOJSA-O 331.399 3.206 50 1 EGGF C[C@H](Cl)[C@@]1(C#C[Si](C)(C)C)NCCc2c(C(=O)O)cccc21 963125187 SAHUZDWYWPXQGJ-YVEFUNNKSA-N 335.907 3.234 50 1 EGGF COC[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587688748 NTMPNYOILITBGJ-ISVAXAHUSA-N 336.632 3.203 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)C=C(C)C)=CC[C@@H]12 2356680441 IYNCTXVRKOBMAK-ZWKOTPCHSA-N 344.407 3.219 50 1 EGGF CN(C)CCSSCCC(=O)Nc1ccc(Cl)cc1O 618008133 ZOMGOCKOKQJPTR-UHFFFAOYSA-N 334.894 3.317 50 1 EGGF C[C@H](c1ccc(CBr)cc1)c1nc2cc[nH]c(=N)c2[nH]1 586974416 WHASQRFLUUBIET-SECBINFHSA-N 331.217 3.417 50 1 EGGF O=C(CCC1C2CC3CC(C2)CC1C3)N/N=C/c1ccc([N+](=O)[O-])o1 653889508 GRBHQBKHYCMVNV-VXLYETTFSA-N 345.399 3.490 50 1 EGGF O=C(CCc1ccccc1F)N[C@@H](Cc1ccccc1)C(=O)CCl 26147824 BFBYQVXCQBHGJS-KRWDZBQOSA-N 347.817 3.294 50 1 EGGF CC1(C)[C@@H](Br)CC[C@]2(C)O[C@@H](C3=C(O)C(=O)OC3)C[C@H]12 238779221 VBNSOLWVHSCXLZ-OZWUEAAUSA-N 345.233 3.103 50 1 EGGF CC(=O)OC(=O)c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587107080 OHLZIWWHTXFFKP-UHFFFAOYSA-N 331.327 3.458 50 1 EGGF COc1ccc(C(=CC(=Cc2ccc(O)cc2)N=C=O)N=C=O)cc1 2356740732 HATVNOCIAYGTRZ-UHFFFAOYSA-N 334.331 3.454 50 1 EGGF CN(C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148411649 VFMWMJGKMIXIDP-UHFFFAOYSA-N 349.394 3.219 50 1 EGGF COc1cccc([C@]23CCC[C@H](C2)NC[C@@H]3Br)c1OC 6010277 SNOQZZRZXHKDHJ-WPGHFRTFSA-N 340.261 3.251 50 1 EGGF CCCCC(=O)N/N=C(\C)c1ccc(NC(=O)C(F)(F)F)cc1 20581973 ONNXAZPRHBPWFM-KEBDBYFISA-N 329.322 3.218 50 3 EGGF CC1(C)[C@H](Br)C[C@@H](O)C(=CCBr)[C@H]1Cl 2356786245 ZMWOJCNCDIDVAM-IWSPIJDZSA-N 346.490 3.469 50 1 EGGF CCOC(=O)[C@@H](Cl)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587495680 FMWLVMNYROCJDH-AEFFLSMTSA-N 336.815 3.460 50 1 EGGF CC[C@@H](Br)C(=O)N[C@H]1CCc2[nH]c3ccccc3c2C1 13777728 WGTSVJTUAJQVEJ-GXFFZTMASA-N 335.245 3.315 50 1 EGGF CC(C)(C)c1ccc(Cn2nc(-c3ccccc3)cc2C(=O)NN)cc1 28870616 WLTLIURVOWJWDK-UHFFFAOYSA-N 348.450 3.499 50 1 EGGF Cc1c(F)ccc2c1[C@](CBr)(C(F)(F)F)NCC2 962089289 GMBLULBKXKEUKP-LLVKDONJSA-N 326.131 3.432 50 1 EGGF C[C@@]1(c2ccc(CCCl)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962904144 NNUYJBLMTMBXEZ-LPHOPBHVSA-N 347.817 3.469 50 1 EGGF O=C1CN(CCc2ccccc2CCl)c2ccc([N+](=O)[O-])cc2N1 38230488 DJQICBYXEDHODM-UHFFFAOYSA-N 345.786 3.335 50 1 EGGF CCOc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1CCl 587368201 DXZANKVEUQJGIU-UHFFFAOYSA-N 331.759 3.241 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@H]1C[C@@H]1C 1857554576 PMMSIFJUVYIACX-BAXCQYERSA-N 347.802 3.104 50 1 EGGF CCOC(=O)c1c(O[C@@H]2CCCC[C@@H]2Cl)c(CC)c(C)[nH]c1=O 45496409 IPLZOSSJDKECDW-QWHCGFSZSA-N 341.835 3.351 50 1 EGGF CC(C)=CCC[C@@H]1COC(=O)[C@@H]2C(C=O)=CCC=C(C)C[C@H](O)[C@@H]12 2356595606 NLUMRGVTMXPWAA-FCGDIQPGSA-N 332.440 3.365 50 1 EGGF CC(=O)O[C@@H]1C/C(C(=O)O)=C/CC[C@](C)(OO)/C=C/C(C)(C)C1 238760919 LYHUJTYIUUDDLM-VNMATJPVSA-N 326.389 3.334 50 1 EGGF CCCc1c(O)ccc2c1O[C@](CC)([C@@H](Cl)C(=O)OC)CC2=O 587458830 LNWZTFUZLBELEP-RDJZCZTQSA-N 340.803 3.239 50 1 EGGF C[C@H]1CNC(=O)c2ccccc2SSc2ccccc2C(=O)N1 6780 XXCPUEXKFAHQJO-NSHDSACASA-N 344.461 3.348 50 1 EGGF CC(=O)O[C@H]1CC(C(=O)O)=CCC[C@](C)(OO)C=CC(C)(C)C1 2356469407 LYHUJTYIUUDDLM-YOEHRIQHSA-N 326.389 3.334 50 1 EGGF CCOC(=O)C[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497834 LBPRGEIPZSRAEQ-GOSISDBHSA-N 336.815 3.461 50 1 EGGF CCN(CC)c1ccc(/C(C)=N/NC(=O)c2ccc(O)cc2)cc1 13643174 CCIJBOQESPRHPT-XSFVSMFZSA-N 325.412 3.392 50 1 EGGF N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1nncs1 103197294 FBWMKUWAZCIRGE-GXDHUFHOSA-N 339.424 3.074 50 1 EGGF CC(NNC(=O)c1ccc(OC2CCCC2)cc1)=C1C=CC(=O)C=C1 15885209 ROSSKGPRSQMNOF-UHFFFAOYSA-N 338.407 3.212 50 3 EGGF COC(=O)CCCCCc1cccc(NC(=O)NCCCl)c1 29063879 QVFWPPDEPPUWBX-UHFFFAOYSA-N 326.824 3.323 50 1 EGGF C=C(C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)C(C)=CC 2356662998 PKELIJXLXBJDKX-RDJZCZTQSA-N 346.423 3.464 50 1 EGGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](Cl)C(=O)OCC)CC2=O 587458021 FGCFHKZTIVUNBQ-RDJZCZTQSA-N 340.803 3.239 50 1 EGGF COC(=O)c1ccc2nc(/C(C#N)=C\c3ccccc3)[nH]c2c1OC 587186924 AJENMALWTMCWFL-RAXLEYEMSA-N 333.347 3.422 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1ccc(O)c(O)c1)O2 587371971 IVKWATBQMOTERO-KRWDZBQOSA-N 333.771 3.088 50 1 EGGF O=C(N/N=C(/CC(=O)c1cccs1)C(F)(F)F)c1ccncc1 13147055 VTWSGHVANQNDPO-UNOMPAQXSA-N 341.314 3.064 50 1 EGGF C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(COC(=O)C=C(C)C)=C/C[C@H]12 144758831 IYNCTXVRKOBMAK-HJNUJTDTSA-N 344.407 3.219 50 1 EGGF biogenic COc1ccc(/C=N/N(C)C(=O)c2ccc(Cl)cc2)cc1OC 95552369 IUEUCAQZASKQPI-YBFXNURJSA-N 332.787 3.463 50 1 EGGF N#C/C(=C\c1ccccc1)c1nc2nc(Br)c[nH]c-2n1 587187902 MSQFSFSBUFARAM-UXBLZVDNSA-N 326.157 3.131 50 1 EGGF O=C(CCCCl)c1c(CO)oc2cc(Br)cnc12 587277063 XSMWFICQJLCVIA-UHFFFAOYSA-N 332.581 3.284 50 1 EGGF C[C@H](Br)[C@]1(C2CCC2)NCCc2nc3ccccn3c21 962987227 VIIUZZMJPOZMOT-MEDUHNTESA-N 334.261 3.259 50 1 EGGF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1cc(C(=O)CCl)c[nH]1 963635386 MJBZJGHSUKYZLH-YPMLDQLKSA-N 348.830 3.077 50 1 EGGF CC1(C)C=C2C(=NN(c3ccccc3C(F)(F)F)C(N)=C2C#N)CO1 13838657 FGYCNJNCNSXFNV-UHFFFAOYSA-N 348.328 3.310 50 1 EGGF CCc1nc(/C=C2\C(=O)Nc3ccc(C(=O)CCl)cc32)c(C)[nH]1 72107273 YRILYOCSQCFEQY-GHXNOFRVSA-N 329.787 3.195 50 1 EGGF C[C@@]1(CC(=O)NCc2ccc3c(c2)OCC3)CC2(CCCCC2)OO1 49745193 ZFHIOYANRKWHPJ-LJQANCHMSA-N 345.439 3.441 50 1 EGGF C[C@@H](Br)[C@]1(C2CCC2)NCCc2nc3ccccn3c21 962987224 VIIUZZMJPOZMOT-BDJLRTHQSA-N 334.261 3.259 50 1 EGGF COc1cc2c3c(c1)O[C@@](CBr)(C1CCC1)[C@@H](C2)C3=O 587411100 BNRZCIJIWKFXCT-LRDDRELGSA-N 337.213 3.376 50 1 EGGF COc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)ccc2O)cc1 5642214 UAYRWAWWKGKPAY-UDWIEESQSA-N 326.396 3.462 50 1 EGGF CCCCNc1ccc(C(=O)N/N=C/c2ccc([N+](=O)[O-])o2)cc1 299867804 YUBNWWGURKFADA-WOJGMQOQSA-N 330.344 3.164 50 1 EGGF C=C(C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C)[C@@H](C)OC(=O)C(C)=CC 2356662999 PKELIJXLXBJDKX-WBVHZDCISA-N 346.423 3.464 50 1 EGGF C=C(C(=O)O[C@@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)C(C)C 238775526 HEZGMLUKBXXBPT-GOEBONIOSA-N 334.412 3.154 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@@H]1C[C@@H]1C 1857554577 PMMSIFJUVYIACX-QYRAZFIPSA-N 347.802 3.104 50 1 EGGF CC(/C=N/Nc1ccc([N+](=O)[O-])cc1)=N\NC(=O)c1cccc(C)c1 1857653757 HXDCAQBDPZMKOL-NWLVNBMCSA-N 339.355 3.107 50 1 EGGF C[C@@H](O)c1ccc(NC(=O)CCSSCCN(C)C)cc1 618007840 RHRFBBQCKMVMHP-GFCCVEGCSA-N 328.503 3.012 50 1 EGGF C#CC=CC[C@]12O[C@H]([C@H](Br)CC)C[C@]1(Cl)C=C[C@@H]2O 2356651299 IGMMYIKZUWHPMH-GZBLMMOJSA-N 345.664 3.175 50 1 EGGF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)NN)cc2[nH]1 587062500 UHDQUKAFJDCCNX-CQSZACIVSA-N 344.802 3.350 50 1 EGGF O=C(NNc1nc2cc(F)ccc2n2cccc12)c1cccs1 28640716 NOBOEZHKFFDBMK-UHFFFAOYSA-N 326.356 3.445 50 1 EGGF COC(=O)[C@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500293 ZYIDBDRBCLUUBY-SFHVURJKSA-N 336.815 3.461 50 1 EGGF CCCNc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccco1 1772609129 NCNSVQVDIFNJFS-AWQFTUOYSA-N 340.305 3.279 50 1 EGGF CO[C@@H]1O[C@@]2(c3ccc(C(=O)O)cc3)CC[C@H]3CCCC[C@]31OO2 14128377 ZAFLSPJAOJQNGX-ZSGPHXLJSA-N 334.368 3.211 50 1 EGGF CC1=C(C=O)C[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)C[C@@H](O)C1=CC(=O)OC1 14649224 INKHECVKBKBYSE-NIYLDPKVSA-N 332.440 3.198 50 1 EGGF biogenic CCOC(=O)[C@@]1(C/C=C/CBr)Cc2ccccc2C1=O 1860179 FGOOWFDSMKOWAQ-JFDDCEBESA-N 337.213 3.316 50 1 EGGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)Nc1cccc2ncccc12 7985536 NCKDSNIIFZTKKN-UKTHLTGXSA-N 331.331 3.192 50 3 EGGF C=C(C(=O)O[C@H]1C=C(C=O)C(C)(C)C=C1C)[C@H](C)OC(=O)C(C)C 2356683103 HEZGMLUKBXXBPT-HOCLYGCPSA-N 334.412 3.154 50 1 EGGF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)C(=O)OC3=O 71317020 DDVPTOWCLIZYAV-KUXJZEBZSA-N 348.439 3.252 50 1 EGGF COc1ccc(C2=C(c3ccc(SC)cc3)C(=O)OC2=O)cc1 49771486 OFINBAFWLFWQHB-UHFFFAOYSA-N 326.373 3.411 50 1 EGGF N#C/C(=C\c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587189174 YXRSYKVUOLUGTH-IZZDOVSWSA-N 335.279 3.443 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 169371125 SPQAXOKESMSRHK-UKZLPJRTSA-N 347.411 3.478 50 1 EGGF C=C1CCC=C(C(=O)O)C[C@H](OC(C)=O)CC(C)(C)C[C@@H]1OO 2356320842 QZKOWBFMGNVIGO-GJZGRUSLSA-N 326.389 3.334 50 1 EGGF C[C@]1(CC(=O)NCc2ccc([N+](=O)[O-])cc2)CC2(CCCCC2)OO1 49694506 SUYWBFYEHQMEKH-KRWDZBQOSA-N 348.399 3.415 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc([N+](=O)[O-])c(F)cc2[nH]1 586971201 OFHIJJKGVOKSFP-SNVBAGLBSA-N 346.156 3.471 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C(C#N)=COc4ccccc41)[C@@H](C2)C3=O 587429660 QOYWXYDEINUOED-YWZLYKJASA-N 331.327 3.138 50 1 EGGF Cc1cc2c(cc1O)[C@@](C)(c1ccc(CCl)cc1)N[C@H](C(=O)O)C2 963510376 QEPVNCFKDNJEML-QFBILLFUSA-N 345.826 3.302 50 1 EGGF CC(C)=CCC[C@@H](C)C/C=N/NC(=O)c1cccc(C(=O)NO)c1 95809319 CKZKKPIGBWMSDP-HIPSJFSSSA-N 331.416 3.294 50 1 EGGF COC(=O)c1[nH]c(SSc2ccccc2[N+](=O)[O-])nc1C 1857751420 CCKDBIRVZFMUQO-UHFFFAOYSA-N 325.371 3.212 50 1 EGGF COC(=O)[C@@H]1CC(c2ccccc2)(c2ccccc2)OO[C@]1(C)OC 1857541866 FPOIUWHZBVVNKA-HKUYNNGSSA-N 342.391 3.434 50 1 EGGF O=C(Cc1ccccc1)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1Cl 1632071 PEIGGLUKUOJXLG-JKSUJKDBSA-N 349.217 3.105 50 1 EGGF CC(C)(NC(=O)CCl)c1nc2ccc(F)c(Br)c2[nH]1 587009358 BLTFFUBPJYWYOO-UHFFFAOYSA-N 348.603 3.055 50 1 EGGF CCCN(CCBr)[C@H]1CCc2cc(O)c(O)cc2C1 29555817 BPXUFOFBQDVSGI-ZDUSSCGKSA-N 328.250 3.062 50 1 EGGF COc1cc2c3c(c1)O[C@@](CCl)(c1ccc(C#N)cc1)[C@@H](C2)C3=O 587418306 UAMBKYIEXQXACS-KXBFYZLASA-N 339.778 3.449 50 1 EGGF COC(C)(C)[C@]1(CBr)NCCc2ccc(F)c(C)c21 962143001 HNWJBAJAAAISPU-OAHLLOKOSA-N 330.241 3.295 50 1 EGGF NC(=O)c1c(F)ccc(OCCCCCCBr)c1F 203653427 VQGAFJJNIAOMBN-UHFFFAOYSA-N 336.176 3.398 50 1 EGGF CN(C)c1cc[n+](C(C=C(C#N)C#N)=C(O)c2ccc(F)cc2)cc1 1857742442 LQMZFQCJDKYOPE-UHFFFAOYSA-O 335.362 3.037 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C[C@H](OC(C)(C)C)[C@H]1Cl)[C@@H](C2)C3=O 587420136 IPECLQCHZMRWNZ-CPOIFUIOSA-N 336.815 3.376 50 1 EGGF CCOc1ccc(/C=N/NC(=O)c2ccc(/N=N/N(C)C)cc2)cc1 18038142 FKHJAYVZLUHUMK-GAIZTLFTSA-N 339.399 3.410 50 1 EGGF C/C=C(\C=O)[C@H]1C[C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)/C1=C\O 238754812 HUJVAYKPOUYFBT-GBMDHXQDSA-N 336.391 3.201 50 1 EGGF N#C/C(=C/c1ccccc1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587189175 YXRSYKVUOLUGTH-WDZFZDKYSA-N 335.279 3.443 50 1 EGGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc([N+](=O)[O-])o1 58506695 VYUIKMRAXRJGBY-GIDUJCDVSA-N 328.111 3.259 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(c3ccco3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 195288370 SPQAXOKESMSRHK-GHKKNHRNSA-N 347.411 3.478 50 1 EGGF CCc1cccc(C)c1NC(=O)[C@H](Cc1ccco1)NC(=O)CCl 38278724 JCKVIOOZKHGNPF-HNNXBMFYSA-N 348.830 3.055 50 1 EGGF COc1cc2c3c(c1)O[C@]1(C[C@H](OC(C)(C)C)[C@@H]1Cl)[C@@H](C2)C3=O 587420156 IPECLQCHZMRWNZ-UFJXABKHSA-N 336.815 3.376 50 1 EGGF O=C(/C(Br)=C\Br)[C@@H](Cl)Br 86000605 UQCVAWUJHGLVKU-ROFOPDMZSA-N 341.224 3.147 50 1 EGGF CC(=CCO)CCC=C(C=O)CCC[C@H](C)C(=O)C[C@H]1C[C@@]1(C)O 2356657799 ULIUIAXZOFSSAK-XKGZKEIXSA-N 336.472 3.367 50 1 EGGF Fc1cnc(Br)c2[nH]c(/C=C\CBr)nc12 586973551 LFVQOQZMWYKGCG-UPHRSURJSA-N 334.974 3.268 50 1 EGGF O=C(N/N=C/c1cccc(Cl)c1)c1cc2ccccc2oc1=O 1857632049 ZOSLODLJFCDDMR-VXLYETTFSA-N 326.739 3.210 50 1 EGGF C/C(=C/CO)CC/C=C(/C=O)CCC[C@H](C)C(=O)C[C@H]1C[C@@]1(C)O 238762176 ULIUIAXZOFSSAK-IFLMNHHNSA-N 336.472 3.367 50 1 EGGF O=C(N/N=C/c1ccccc1Cl)c1c[nH]c2c(F)cccc2c1=O 653914364 INYXTNOQQMWYKI-ODCIPOBUSA-N 343.745 3.085 50 1 EGGF CN(C)C(=O)c1ccc2nc([C@H](Br)C(C)(C)F)[nH]c2c1 587087069 LNMZNRZWKNBPFJ-NSHDSACASA-N 342.212 3.449 50 1 EGGF CC(C)CN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]32[C@H]1O4 169340677 NEWNOEXLDGMFRU-SHMJFQSUSA-N 337.460 3.336 50 1 EGGF O=c1cc(CBr)c2cc3c4c(c2o1)CCCN4CCC3 100080075 YUCQXFOKBWJOHN-UHFFFAOYSA-N 334.213 3.387 50 1 EGGF in-vitro CCC[C@@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103279062 JHSMCXUMQZTOAK-SCSAIBSYSA-N 332.145 3.059 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)[C@H](C)CC)=CC[C@@H]12 2356380396 DLWCLJQUSIBFQH-JEBQAFNWSA-N 346.423 3.299 50 1 EGGF C=C1C(=O)O[C@H]2/C=C(\C)CC/C=C(/C=O)C[C@H](OC(=O)/C(C)=C\C)[C@H]12 100775560 LLFFQXOEXCHHKX-GZBMEWSOSA-N 344.407 3.218 50 1 EGGF endogenous,in-man CCCc1c(O)ccc2c1O[C@@](CC)([C@@H](Cl)C(=O)OC)CC2=O 587458826 LNWZTFUZLBELEP-DOTOQJQBSA-N 340.803 3.239 50 1 EGGF N#C/C(=C\c1cc(O)c(O)c([N+](=O)[O-])c1)C(=O)n1ccc2ccccc21 1857540361 MVVFJOAVQPMCAY-NTUHNPAUSA-N 349.302 3.208 50 1 EGGF CC(C)C[C@H](Br)C(=O)Nc1nnc(C(F)(F)F)s1 103278880 UQDFEAGJOHGARS-YFKPBYRVSA-N 346.172 3.305 50 1 EGGF Nc1cc(C(=O)O)ccc1SSc1ccc(C(=O)O)cc1N 1670426 KQFIYYRMDLHHIH-UHFFFAOYSA-N 336.394 3.047 50 1 EGGF CO[C@@]1(C)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 49112180 HZRBFPFRPXJJQB-DXLKZPDWSA-N 337.641 3.393 50 1 EGGF COc1cc2c3c(c1)O[C@@](C1CC1)([C@H](C)Br)[C@@H](C2)C3=O 587413351 HACYLHAOPRUHPO-YYDSMBMDSA-N 337.213 3.375 50 1 EGGF COc1ccc(N/N=C/C2=CC(C)(C)C(C#N)(C#N)C(O)=C2C#N)cc1 31861954 RRMAOKSQYNDGON-AUEPDCJTSA-N 347.378 3.428 50 1 EGGF COc1ccc(/C(=C\C#N)c2cc(OC)c(OC)c(OC)c2)cc1N 73156014 HSYSGMXLFDOZSH-VGOFMYFVSA-N 340.379 3.258 50 1 EGGF C[C@@H](SCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586962245 CPLOPTMMIFBSKL-LLVKDONJSA-N 326.425 3.161 50 1 EGGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1ccccn1 963049165 ASPWJBLBEMWORC-IBGZPJMESA-N 339.826 3.267 50 1 EGGF COC(=O)/C=C(\C(C)=O)[C@H]1CC[C@](C)(Cl)[C@@H](Br)C1 14860879 QTMNXLZAJOBDAZ-WPQGTMSUSA-N 337.641 3.236 50 1 EGGF Cc1ccc(/C=C(\C#N)c2nc3c(S)nc(S)nc3[nH]2)cc1 587187329 DUFSJZDTHPOGIY-UXBLZVDNSA-N 325.422 3.303 50 1 EGGF CC[C@H](C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@H](C)[C@@H]21 2356681357 QTYIREDCMKMWBG-CENPHQPOSA-N 348.439 3.378 50 1 EGGF COC[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685600 ACHFTPYVNIVWOH-AMIZOPFISA-N 336.632 3.203 50 1 EGGF C=C1C(=O)O[C@@H]2CC(C=O)=CCCC(COC(=O)CC(C)C)=CC[C@H]12 2356676804 ZIISLDTWBFIFEJ-QZTJIDSGSA-N 346.423 3.299 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(/C)CC/C=C(/C=O)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 523041554 LLFFQXOEXCHHKX-LDSNZSSISA-N 344.407 3.218 50 1 EGGF biogenic CCc1c(C)[nH]c(=O)c(N(C)C)c1C(=O)c1cccc(/C=C\C#N)c1 34080930 FQIZDFQGOQZYDK-CLFYSBASSA-N 335.407 3.080 50 1 EGGF Cc1cc(Br)c2[nH]c(C(C)(C)NC(=O)CCl)nc2c1 587007957 JQUNVMDKOHGIOA-UHFFFAOYSA-N 344.640 3.224 50 1 EGGF Cc1ccc(/C=C(\C#N)c2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1 587188227 PQSRYFMJQVXQFR-AWNIVKPZSA-N 330.347 3.266 50 1 EGGF Cc1cccc(CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCl)c1 26145449 BJEVPNLKGSXRCN-SFHVURJKSA-N 343.854 3.463 50 1 EGGF O=C(O)c1ccccc1N=C1C(=O)c2ccccc2C(=O)[C@H]1Cl 2356840681 MTIDHDJMXCKVGQ-ZDUSSCGKSA-N 327.723 3.144 50 1 EGGF Cc1cc(SCC(=O)N/N=C\c2ccco2)nc2ccccc12 13111744 KBIAAFSORHPISW-ZDLGFXPLSA-N 325.393 3.379 50 1 EGGF NNC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131425 HEEWWLUMWVTFED-UHFFFAOYSA-N 342.349 3.048 50 1 EGGF CC(C)(C)N(NC(=O)NCCCl)C(=O)c1ccccc1Cl 201472092 FOTFRIAFWWEEKU-UHFFFAOYSA-N 332.231 3.034 50 3 EGGF O=C(/N=N/c1ccc([N+](=O)[O-])cc1)NNc1ccc([N+](=O)[O-])cc1 17255613 BXHXDHQLTNPQEU-BMRADRMJSA-N 330.260 3.323 50 1 EGGF CCCCCO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl 205339045 GJWYIBCUPMZGSZ-MPBGBICISA-N 347.223 3.417 50 1 EGGF COc1ccc(/C=C(/C#N)c2cc(OC)c(OC)c(OC)c2)cn1 38154371 UVJLOBJPGVIPFV-AUWJEWJLSA-N 326.352 3.180 50 1 EGGF COc1ccc(Cl)cc1C#Cc1cnc2cc(C(=O)Cl)nn2c1 587912239 DFPPCDLLCZUOKF-UHFFFAOYSA-N 346.173 3.170 50 1 EGGF COC(=O)[C@@]1(CCCCl)CC(=O)c2ccc3c(c2O1)CCCC3 587500291 ZYIDBDRBCLUUBY-GOSISDBHSA-N 336.815 3.461 50 1 EGGF [C-]#[N+][C@@H]1C(C)=NC(C(F)F)=C(C#N)[C@H]1c1cc2c(N)nccc2o1 169698723 IGOZHMVYVXYCSV-QWHCGFSZSA-N 327.294 3.299 50 1 EGGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[S@](=O)CCl 28870498 DYTWUWBQYXNCQT-YEJXKQKISA-N 331.865 3.067 50 1 EGGF CC[C@]1([C@@H](C)Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414766 OIYSWXYSFUYGLX-BGFNQPPGSA-N 325.202 3.375 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CCCCl)(C(=O)OC)CC2=O 587460391 MGUFPOAJAYVFBP-QGZVFWFLSA-N 340.803 3.241 50 1 EGGF O=S(=O)(c1ccc2nc([C@H](Cl)CCl)[nH]c2c1)C(F)(F)F 587008930 SFMJQHOPWKLMEM-ZCFIWIBFSA-N 347.145 3.375 50 1 EGGF C/C1=C\C=C(/[C@@](C)(O)CO)CC/C(C=O)=C\CC[C@]2(C)O[C@H]2CC1 169369418 QFVXFKRYGGAMLR-FGPJAMEPSA-N 334.456 3.239 50 1 EGGF C=C(C)[C@@H]1CC[C@]23CO[C@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@@H]1[C@@H]23 238776184 INWRMBVWSPFLLR-QHCCRYAASA-N 328.408 3.497 50 1 EGGF N#CC1=C(N)OC2=C(C(=O)N[C@H](c3ccccc3)C2)[C@H]1c1ccccc1 84654632 SOCQSUJQXRQAHG-WMZOPIPTSA-N 343.386 3.010 50 1 EGGF COc1ccc(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)cc1O 40379247 WTEKEHNBSPQJIM-AUWJEWJLSA-N 341.363 3.382 50 1 EGGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C\N(C)C)N1 587739388 GUCDAVVFGCYXKD-GKEKJBNQSA-N 338.224 3.133 50 1 EGGF CCC(=O)Nc1ccc(C(=O)NN/C=C2\C(C)=Nc3ccccc32)cc1 13118973 AKGOZNUSTWKZEI-SFQUDFHCSA-N 348.406 3.417 50 3 EGGF CCCc1c(O)ccc2c1O[C@](CCl)(CC(=O)OCC)CC2=O 587459956 RAEBWXNPIZUNRM-KRWDZBQOSA-N 340.803 3.241 50 1 EGGF COc1cc2c3c(c1)O[C@@](C)(CCCBr)[C@@H](C2)C3=O 587414529 WDLZSEPJPVSLKB-NHYWBVRUSA-N 325.202 3.376 50 1 EGGF CC(=O)[C@@]1(CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499331 MAMAZWBYPFPYGQ-INIZCTEOSA-N 337.213 3.253 50 1 EGGF CN1CCC2=C(C#N)C(=N)C(C#N)(C#N)[C@H](c3cccc(Cl)c3)[C@@H]2C1 169686883 ZRSWVPMBYHBGOE-IAGOWNOFSA-N 349.825 3.262 50 1 EGGF C[C@@H](Cl)C(=O)N1CCC(C(=O)N[C@@H]2CCCc3ccccc32)CC1 201464020 XEUQCOOBRQZZES-CXAGYDPISA-N 348.874 3.046 50 3 EGGF CC1=C(C=O)[C@@H]2C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@@H]2CO1)N3C 85916514 AUSQYXZCCIDHMV-KTGNWYGMSA-N 336.435 3.215 50 1 EGGF O=C(CBr)c1ccc(C2C(=O)c3ccccc3C2=O)cc1 653791388 QDHZCLVXRWOHQX-UHFFFAOYSA-N 343.176 3.427 50 1 EGGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccnc1 88482 AGUHKCMDDFFLQZ-CQSZACIVSA-N 349.781 3.343 50 1 EGGF CNc1ccc(N(CCBr)CCBr)cc1 29412279 BYJVSSVQDLPDQM-UHFFFAOYSA-N 336.071 3.325 50 1 EGGF CCOC(=O)c1c(O[C@@H]2CCCC[C@H]2Cl)c(CC)c(C)[nH]c1=O 45496413 IPLZOSSJDKECDW-CHWSQXEVSA-N 341.835 3.351 50 1 EGGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CCCO)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169371008 BAJSYLWSYBXRPS-VTGMPIQNSA-N 326.433 3.009 50 1 EGGF CC1(C)CCC[C@]2(C)[C@@H](C=CC3=CCOC3=O)C(C=O)=CC(=O)[C@H]12 2356482665 RFLFJWXIHDVQJA-XAUMDUMWSA-N 328.408 3.183 50 1 EGGF COc1cc2c3c(c1)O[C@](CCl)(CCSC(C)=O)[C@@H](C2)C3=O 587449038 AFLXGPNHFZAJPE-LRDDRELGSA-N 340.828 3.090 50 1 EGGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)C(C)C 1857604413 XFXPLNKNKSNICH-QGMBQPNBSA-N 335.791 3.104 50 1 EGGF CC1=C(C=O)CC[C@]2(C)C1=CC(=O)c1c(O)c3c(c(O)c12)OC[C@H]3C 2356397102 GURCDXIUUOFINM-GSDQLPOLSA-N 340.375 3.283 50 1 EGGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C[S@@](=O)CCl 28870494 DYTWUWBQYXNCQT-ZSEKCTLFSA-N 331.865 3.067 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@H](OC(=O)CC(C)C)[C@H]12 2356563758 BSJGKIXNWXOEIX-ZIFCJYIRSA-N 346.423 3.298 50 1 EGGF CC[C@H](C)C(=O)O[C@@H]1CC(C=O)=CCCC(C)=C[C@@H]2OC(=O)[C@@H](C)[C@H]21 2356681358 QTYIREDCMKMWBG-GCDKYVQMSA-N 348.439 3.378 50 1 EGGF O=C(C=C(Cl)Br)C(Br)Br 2356733920 GIAATCHAXNKIIH-UHFFFAOYSA-N 341.224 3.147 50 1 EGGF C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)OCCN2C)c1ccccc1 73157064 QOILKGBGPWVDTG-BRFSQIRFSA-N 347.418 3.300 50 1 EGGF CO[C@]1(C)OC(=O)C=C1[C@@H]1CC[C@@](C)(Cl)[C@H](Br)C1 49066599 HZRBFPFRPXJJQB-PIEOMLNGSA-N 337.641 3.393 50 1 EGGF biogenic C=C1[C@H]2CC[C@H]([C@]3(C)CCC[C@]4(C)C(=O)OC(=O)[C@@H]43)[C@@](C=O)(C2)[C@H]1F 2356598653 WKCZSMWYYNNWGT-QLZLHRNLSA-N 348.414 3.392 50 1 EGGF COc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)s3)[nH]n2)cc1 263590450 HONJFXAASKWFAI-UHFFFAOYSA-N 340.408 3.219 50 3 EGGF COC(=O)c1cccc2nc([C@H](Br)C(C)(C)OC)[nH]c12 586971689 WPPBRMSIZZWXCG-NSHDSACASA-N 341.205 3.211 50 1 EGGF C[C@@H](Cl)C(=O)N1CCC(C(=O)N[C@H]2CCCc3ccccc32)CC1 201464096 XEUQCOOBRQZZES-DYVFJYSZSA-N 348.874 3.046 50 3 EGGF C=C(CCl)[C@@H]1Cc2c(cc(O)c3c(=O)c4ccccc4n(C)c23)O1 14689019 WVAGDJQCWBNFRK-HNNXBMFYSA-N 341.794 3.496 50 1 EGGF endogenous,in-man CN(C)/C=C(\C#N)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497264 IEYPKFKTQXRFEY-FIIODCPWSA-N 344.842 3.477 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C(=O)Cl)(c1ccc(F)cc1)O2 587385627 UKVGGYIHGUEJDI-KRWDZBQOSA-N 333.746 3.342 50 1 EGGF CO[C@H]1O[C@@H](c2ccc(C(=O)O)cc2)[C@H]2CC[C@H]3CCCC[C@@]13OO2 43328005 NXSGPNQYOYQCRZ-SMYFESCOSA-N 348.395 3.468 50 1 EGGF O=C(NNc1nncc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 33865575 QACCNEISODNCIQ-UHFFFAOYSA-N 349.438 3.198 50 1 EGGF O=C(O)c1cccc2c(-n3nnc4ccccc43)c(CCl)[nH]c12 587639088 VJDXRWCHJYSEGG-UHFFFAOYSA-N 326.743 3.339 50 1 EGGF Cc1ccc(NC2(c3nc4ccc(C(=O)NN)cc4[nH]3)CCCC2)cc1 587237218 MTLXRIGURODEKI-UHFFFAOYSA-N 349.438 3.356 50 1 EGGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C(C#N)=C/N(C)C)N1 587753225 GUCDAVVFGCYXKD-XOHDPVGQSA-N 338.224 3.133 50 1 EGGF CN1CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1 40434704 HCSZVBRUNPSSNQ-YVLHZVERSA-N 328.419 3.281 50 1 EGGF O=c1c2ccccc2sc2cc(OC[C@@H](O)CCl)cc(O)c12 198496404 CUATZHZYMGTLPX-VIFPVBQESA-N 336.796 3.099 50 1 EGGF COc1cccc([C@@]23CCC[C@@H](C2)NC[C@H]3Br)c1OC 299814240 SNOQZZRZXHKDHJ-SGIREYDYSA-N 340.261 3.251 50 1 EGGF COc1cc2c3c(c1)O[C@](C1CC1)([C@H](C)Br)[C@@H](C2)C3=O 587413350 HACYLHAOPRUHPO-WLTZMBQTSA-N 337.213 3.375 50 1 EGGF CCNC(=S)NNC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1 103200026 KAKLITAJQIRQKT-GFCCVEGCSA-N 345.443 3.111 50 1 EGGF O=C(O)CC1CCC2(CC1)OOC1(O2)C2CC3CC1CC(C2)C3F 49793833 FARUTZQUEHNLJH-UHFFFAOYSA-N 340.391 3.426 50 1 EGGF COc1cc2c3c(c1)O[C@@](CBr)(C(C)C)[C@@H](C2)C3=O 587415624 VXKAJIFJZUMEGM-NHYWBVRUSA-N 325.202 3.232 50 1 EGGF CCOC(=O)[C@H](Cl)[C@@]1(C)N[C@H](CC)Cc2c1[nH]c1ccccc21 962938961 AWOQGDYTAHWWIG-DJCROIMJSA-N 334.847 3.478 50 1 EGGF CCCc1n[nH]c2c1[C@@H](c1ccc(SC)cc1)C(C#N)=C(N)O2 5095133 SSBUVBZNWJOTNF-AWEZNQCLSA-N 326.425 3.302 50 1 EGGF COCc1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)ccc1OC 33309719 MDJPHBZXWFFNCX-JAIQZWGSSA-N 346.814 3.188 50 3 EGGF COc1cccc([C@H]2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)c1 34093701 YQVNYAXUEJHBIW-GOSISDBHSA-N 331.375 3.405 50 1 EGGF C[N+]1([O-])CCN(C2=Nc3ccccc3/C(=C\C#N)c3ccccc32)CC1 40375235 XTTPTEPNEVFTIQ-YVLHZVERSA-N 344.418 3.294 50 1 EGGF C#C[C@@]12C=C(C#N)C(=O)C=C1[C@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 43553024 ISZIRXMFUSQQOS-ZLGUVYLKSA-N 330.387 3.040 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586970434 AQMNVUMJPBVZDZ-SNVBAGLBSA-N 345.168 3.261 50 1 EGGF COc1cc2c3c(c1)O[C@H]([C@H]1CCCC(C=O)=C1Cl)[C@@H](C2)C3=O 587420555 KVVJKYIUHCUXCT-ZJNRKIDTSA-N 332.783 3.303 50 1 EGGF C[C@]1(c2ccc(CCCl)cc2)N[C@H](C(=O)O)Cc2cccc(F)c21 962904145 NNUYJBLMTMBXEZ-QFBILLFUSA-N 347.817 3.469 50 1 EGGF O=CC1=C[C@@H]2COc3ccccc3[C@H]2[C@@]2(C1)C(=O)Nc1ccccc12 1772590255 AOUKVMBBEFQKJM-RFVSGWPVSA-N 331.371 3.198 50 1 EGGF O=C1OC(=O)c2c1cc1ccc(O)c3oc4cc(O)c(O)cc4c2c13 59149142 KUTYVKLXNLYBCC-UHFFFAOYSA-N 336.255 3.167 50 1 EGGF biogenic,in-vitro Oc1c(Br)ccc2nc(/C=C\CBr)[nH]c12 586972224 KFMDFWTZXQOTRH-UPHRSURJSA-N 331.995 3.439 50 1 EGGF C[C@@]12CCCC[C@@]1(O)[C@@H](Cl)C(=O)[C@@H](C(=O)Nc1ccccc1)C2 13742781 IPAFCYNTBYBTIB-QXRTWZOPSA-N 335.831 3.133 50 1 EGGF CN1CCN(C2=Nc3ccccc3C(=CC#N)c3ccccc32)CC1 1857741933 HCSZVBRUNPSSNQ-UHFFFAOYSA-N 328.419 3.281 50 1 EGGF COc1ccc(/C=N/NC(=O)c2cc(Cl)c(Cl)[nH]2)cc1OC 64539667 PCEHSUFDAZGNHB-REZTVBANSA-N 342.182 3.103 50 1 EGGF COc1cc2c3c(c1)O[C@@]1(C(C#N)=COc4ccc(F)cc41)[C@@H](C2)C3=O 587429902 XTHFKAZLFXKSQD-MGPUTAFESA-N 349.317 3.277 50 1 EGGF CCOC(=O)c1c(CBr)[nH]c2cccc([N+](=O)[O-])c12 587644374 WSAJNJIAEVTYQD-UHFFFAOYSA-N 327.134 3.148 50 1 EGGF BrCCCCc1nc2cc(Br)ncc2[nH]1 586972586 XFTQPUUPMOSTMW-UHFFFAOYSA-N 333.027 3.438 50 1 EGGF C[C@]12CC[C@@H]3[C@@](C)(OO[C@]3(c3ccc(Br)cc3)O1)O2 103020522 QNFBRAUABUUJFL-SYQHCUMBSA-N 327.174 3.453 50 1 EGGF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)C2=C(C(=O)OC2)[C@H]1Cl 2356760299 VSZWKJIFSQDWII-WVZRYYJFSA-N 326.820 3.225 50 1 EGGF O=C(N/N=C/c1ccc(Cl)cc1)c1c[nH]c2c(F)cccc2c1=O 653914423 VGHOXFBPEWLPAE-ODCIPOBUSA-N 343.745 3.085 50 1 EGGF O=C(CNc1cccc(F)c1)N/N=C/c1c(Cl)cncc1Cl 201287045 KWGIZLMNJXFPFV-DENHBWNVSA-N 341.173 3.090 50 1 EGGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)C[C@@H](OC(=O)C(C)=CC)[C@H]12 2356424256 LLFFQXOEXCHHKX-KZNAEPCWSA-N 344.407 3.218 50 1 EGGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccnc1)O2 587370395 AVMCASMUTPLFRU-INIZCTEOSA-N 347.212 3.228 50 1 EGGF CCCc1c(O)ccc2c1O[C@@](CC)([C@H](Cl)C(=O)OC)CC2=O 587458828 LNWZTFUZLBELEP-NVXWUHKLSA-N 340.803 3.239 50 1 EGGF CC(C)CCN1C(=O)C[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]23[C@H]1O4 169371527 SYUYRWDANMJWQO-INEZEAPOSA-N 337.460 3.480 50 1 EGGF CN(C)c1cc[n+](/C(C=C(C#N)C#N)=C(\O)c2ccc(F)cc2)cc1 209106948 LQMZFQCJDKYOPE-HNENSFHCSA-O 335.362 3.037 50 1 EGGF C/C=C(/C)C(=O)O[C@H]1C=C(C=O)[C@]23C[C@H]1C(C)(C)[C@@H]2CC[C@@H]3C=O 238779087 PUBAKVPNGHNJCR-SPHUUJISSA-N 330.424 3.261 50 1 EGGF C[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)c1ccccc1C(F)(F)F 587099212 ZMOFUJNIYFJKKD-SECBINFHSA-N 348.328 3.337 50 1 EGGF C[C@@]1(C(=O)CBr)CC(=O)c2ccc3c(c2O1)CCCC3 587499255 LSNLQHYNNGWTCC-INIZCTEOSA-N 337.213 3.253 50 1 EGGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)C[C@@H](OC(=O)C=C(C)C)[C@@H]12 153513273 QJGMYCJDXVYSEU-FUAHTCBSSA-N 344.407 3.218 50 1 EGGF biogenic CC1(C)C[C@@H]1C(=O)N/C(=C\CCCCCBr)C(=O)O 26025173 WTVLQRGPKGVBFJ-PAKSIRSJSA-N 332.238 3.073 50 1 EGGF O=C1CS[C@@H](c2c(F)cccc2F)N1[C@@H]1CC[C@@H]1Br 40411798 MAUPWGKFJDNIPY-NYNLCMDTSA-N 348.212 3.465 50 1 EGGF COc1ccc2c(c1)O[C@H]1CC(=N)C(C#N)=C(N)[C@@H]1[C@@H]2c1ccccc1 40834484 IHGPFBSASYMLRH-ZCNNSNEGSA-N 345.402 3.364 50 1 EGGF CC(C)(F)[C@@H](Br)c1nc2c(S)nc(S)nc2[nH]1 587086481 AMGDNVQCAYHRCW-BYPYZUCNSA-N 337.243 3.114 50 1 EGGF O=C(N/N=C/c1ccc(F)cc1)c1c[nH]c2ccc(Cl)cc2c1=O 1857644280 NSNBDTILNRIYKZ-ODCIPOBUSA-N 343.745 3.085 50 1 EGGF CC(C=O)=CCCC(C)(C)[C@@H](O)C=CC(C)=CC(=O)C1=CC=CCN1 2356438472 HKDNEEYQAXBOEQ-FQEVSTJZSA-N 343.467 3.414 50 1 EGGF COC(=O)c1coc([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)c1 587373423 QKTAMWXELIUYQH-KRWDZBQOSA-N 349.770 3.056 50 1 EGGF CC1(C)C[C@@H]([C@@]23C=C[C@@](CO)(CC2)OO3)CC[C@@H]1Br 137748696 KZRDDGGREUNDMV-NZBPQXDJSA-N 331.250 3.358 50 1 EGGF CCCc1n[nH]c2c1[C@H](c1ccccc1OC(F)F)C(C#N)=C(N)O2 4169949 MUUQUYUGDXVJJE-CYBMUJFWSA-N 346.337 3.182 50 1 EGGF CCC#C[N@@+]1(Cc2nc(-c3ccc([C@H](N)N=O)cc3)cs2)COO1 958043831 IPWYCENVINKXEY-OXQOHEQNSA-N 345.404 3.056 50 1 EGGF CO[C@@]1(c2ncccc2Br)C=C(C#N)C(=O)C(C)(C)C1 1857588767 GZPBVHCXCRZLJO-HNNXBMFYSA-N 335.201 3.135 50 1 EGGF O=C(N/N=C/c1c(Cl)c2ccccc2oc1=O)c1ccc(F)cc1 1772589184 QHGGVETXGYTGOZ-AWQFTUOYSA-N 344.729 3.349 50 1 EGGF COc1cc(OC)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2cc[nH]c32)c1 34334942 XDLKELIYVGUKTI-QGZVFWFLSA-N 347.374 3.403 50 1 EGGF CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccco1)NC(=O)CCl 38278723 JCKVIOOZKHGNPF-OAHLLOKOSA-N 348.830 3.055 50 1 EGGF C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@H]4C(O)=C(C#N)C[C@]35C)[C@H]1CC[C@H]2O 299818959 KVJXBPDAXMEYOA-DOBCRAIKSA-N 329.440 3.467 50 1 EGGF O=C1CS[C@H](c2c(F)cccc2F)N1[C@H]1CC[C@H]1Br 58539486 MAUPWGKFJDNIPY-LIEFSGRHSA-N 348.212 3.465 50 1 EGGF CC1=C(C#N)[C@H](c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C(F)F)N1 68251011 ARZKBMOZBFWWFP-HNNXBMFYSA-N 325.322 3.398 50 1 EGGF COC(C)(C)[C@H](Br)c1nc2cc(C#N)c(C#N)cc2[nH]1 586971321 PSWFWDNRZCUJOO-GFCCVEGCSA-N 333.189 3.167 50 1 EGGF COc1ccc(/C(O)=C(/C=C(C#N)C#N)[n+]2cc(C)cc(C)c2)cc1 205828908 WTLGNRJIDSWCCY-FMQUCBEESA-O 332.383 3.457 50 1 EGGF Cc1nn(-c2ncccn2)c2c1C(=O)CC(C)(C)[C@H]2Br 61942810 IWPCBZOMIPTGSG-LBPRGKRZSA-N 335.205 3.019 50 3 EGGF COc1ccc(Cl)c2c1CCN[C@]2(CCl)c1cccn1C 963257143 IEJPOFXWZHDLRJ-MRXNPFEDSA-N 325.239 3.315 50 1 EGGF O=C1C[C@](CCl)(c2cnc(O)[nH]2)Oc2c1ccc1c2CCCC1 587498197 MLCZVJGJHUEYFG-KRWDZBQOSA-N 332.787 3.094 50 1 EGGF C[C@H](Cl)C(=O)NC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587498495 OAFBEHQEHAUBIY-BBATYDOGSA-N 335.831 3.033 50 1 EGGF CCCCCCCCC(=O)N/N=C1\CC2(CCN(C)CC2)O[C@@H]1C 36289049 DSQVQJMNJPHULB-HNOLQLOCSA-N 337.508 3.482 50 1 EGGF C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N/N=C/c1ccc[nH]1 84690033 PKUXVILJQRHBDT-ZBPACCJBSA-N 326.183 3.239 50 1 EGGF CO[C@H]1C(C=O)=CC[C@@H]2C3=C([C@H](C)CO)CC[C@]3(C)CC[C@@]2(C)[C@H]1O 238768593 KIJQNYNQHIZOJO-MEJVKNBMSA-N 348.483 3.033 50 1 EGGF Cc1c(Br)cnc2[nH]c(/C=C\CBr)nc12 586972117 GVKLJAZFZDYMGS-IHWYPQMZSA-N 331.011 3.437 50 1 EGGF O=C(NNc1cccc2ncccc12)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101627089 YPJOCOJIDCUMRT-NILVNCKXSA-N 337.423 3.009 50 1 EGGF C=C(C)[C@@H]1CC[C@@]23CO[C@@]4(OO2)C2=C(C[C@@H]4C)C(=O)C(C)=C[C@@H]1[C@H]23 2356464406 INWRMBVWSPFLLR-AWBDDSLASA-N 328.408 3.497 50 1 EGGF CC1=C(C#N)[C@@H](c2cc3cn[nH]c3cc2F)C(C#N)=C(C(F)F)N1 116586271 PNYGFZQQBKYRMZ-CQSZACIVSA-N 329.285 3.229 50 1 EGGF C=C1CCC=C(C(=O)O)C[C@H](OC(C)=O)CC(C)(C)C[C@H]1OO 2356320844 QZKOWBFMGNVIGO-LSDHHAIUSA-N 326.389 3.334 50 1 EGGF C/C=C(\C)C(=O)O[C@@H]1C/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)[C@@H](C)[C@@H]21 153510163 OINHBRHDESHNCM-FFOFTCOWSA-N 346.423 3.298 50 1 EGGF C=C1C[C@]2(C=O)C[C@H]1CC[C@H]2[C@]1(C)CCC[C@@]2(C)C(=O)OC(=O)[C@@H]12 85602966 YHGCNVZMSCSGOF-VRRLIPPPSA-N 330.424 3.444 50 1 EGGF NNC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023305 IHTYQEBBBLKKSE-UHFFFAOYSA-N 341.421 3.018 50 1 EGGF Cc1nn(C)cc1/C=N/NC(=O)c1sc2ccccc2c1Cl 372731 XJHHGVFXENYMIW-REZTVBANSA-N 332.816 3.361 50 3 EGGF CC1(C)C[C@H]1C(=O)N/C(=C\CCCCCBr)C(=O)O 26025180 WTVLQRGPKGVBFJ-QBQSQJOESA-N 332.238 3.073 50 1 EGGF C[C@H](SCc1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586962248 CPLOPTMMIFBSKL-NSHDSACASA-N 326.425 3.161 50 1 EGGF C=C[C@]1(C)C=C(C=O)[C@]2(CC1)OC(=O)[C@H]1C(C)(C)CCC[C@@]12C(=O)O 2356839190 LRRZMKRUDVFTBA-DSYPUSFNSA-N 346.423 3.291 50 1 EGGF CO[C@@H]1C(C=O)=CC[C@H]2C3=C(C(C)C)CC[C@]3(C)C(=O)C[C@@]2(C)[C@H]1O 136921031 AKKRSUAQLBEBRV-FZHKGVQDSA-N 346.467 3.239 50 1 EGGF COc1cc2c3c(c1)O[C@@](CCl)(c1c(C)noc1C)[C@@H](C2)C3=O 587416723 DAKVKYTWLVOALK-YVEFUNNKSA-N 333.771 3.182 50 1 EGGF C#CC=CC[C@]12O[C@H]([C@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O 2356651301 IGMMYIKZUWHPMH-XLWJZTARSA-N 345.664 3.175 50 1 EGGF C[C@@]1(CC(=O)NCc2ccc(C(=O)O)cc2)CC2(CCCCC2)OO1 49709406 PVSATFACFVIGLJ-GOSISDBHSA-N 347.411 3.205 50 1 EGGF C=C1CC=C[C@]2(C)CC[C@H](/C(C=O)=C/C=C/C(C)(C)O)[C@H]1C(=O)O2 139554702 KTUFGDGBAVAMOZ-TUOGMHGLSA-N 330.424 3.283 50 1 EGGF Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 6210468 QCGZTXBMAFLIFV-UFFVCSGVSA-N 346.312 3.425 50 1 EGGF Cc1c(Br)cnc2[nH]c(/C=C/CBr)nc12 586972118 GVKLJAZFZDYMGS-NSCUHMNNSA-N 331.011 3.437 50 1 EGGF COc1ccc(N(CCBr)CCBr)cc1 114332390 UAMBNVKKMQGOCK-UHFFFAOYSA-N 337.055 3.291 50 1 EGGF O=S(=O)(CC1(c2ccc(N=C=S)cc2)COC1)c1ccccc1 1857545565 YNQDOPFRYSZUQT-UHFFFAOYSA-N 345.445 3.163 50 1 EGGF O=C(N/N=C\c1ccccn1)c1cc(-c2ccc3ccccc3c2)n[nH]1 13115026 MPKRSBLEPUYVPU-XKZIYDEJSA-N 341.374 3.389 50 1 EGGF Cn1nc(SCc2ccccc2)c(C#N)c1NCCCN=C=S 103273981 NRVFOTHCYIQTKE-UHFFFAOYSA-N 343.481 3.489 50 1 EGGF COc1ccc(/C(=C/C#N)c2cc(OC)c(OC)c(OC)c2)cc1N 84538264 HSYSGMXLFDOZSH-AUWJEWJLSA-N 340.379 3.258 50 1 EGGF CC1=C(C=O)[C@@H]2C[C@H]3c4c(c5ccccc5n4C)C[C@@H]([C@H]2CO1)N3C 14719751 AUSQYXZCCIDHMV-HSCHXYMDSA-N 336.435 3.215 50 1 EGGF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@](C(=O)Cl)(c1ccc(F)cc1)O2 587385635 UKVGGYIHGUEJDI-QGZVFWFLSA-N 333.746 3.342 50 1 EGGF O=C(O)CCCCCCC(=O)N/N=C/c1ccc2ccccc2n1 95808746 CGVPEBQZPBLQCC-CPNJWEJPSA-N 327.384 3.110 50 1 EGGF Cc1c(C(=O)NCCSSCCN(C)C)oc2ccccc12 618008633 IUZIJMQQKKANAO-UHFFFAOYSA-N 338.498 3.414 50 1 EGGF O=C(Nc1ccc(OC(=O)C(Cl)Cl)cc1)C(Cl)Cl 64479840 USHQHXOCXNXMLX-UHFFFAOYSA-N 330.982 3.138 50 1 EGGF CCO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C)C(F)(F)C[C@@H]([C@H]1C)[C@]42OO3 169340435 VTVOEKXJXVLZMI-XUCAVHRUSA-N 348.386 3.476 50 1 EGGF CC1=C(C#N)[C@H](c2ccc3[nH]ncc3c2)C(C#N)=C(C(F)(F)F)N1 116588029 PDMGTSVIIWGIAY-AWEZNQCLSA-N 329.285 3.387 50 1 EGGF N#CC1=C(N)Oc2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccnc1 88494 AGUHKCMDDFFLQZ-AWEZNQCLSA-N 349.781 3.343 50 1 EGGF COC[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685602 ACHFTPYVNIVWOH-OQPBUACISA-N 336.632 3.203 50 1 EGGF N#CC1=C(N)Oc2c(F)cc(F)cc2[C@H]1CC(=O)c1ccccc1 1857656010 IQIYYYBQEKWNDN-GFCCVEGCSA-N 326.302 3.408 50 1 EGGF CCCCNC(=O)c1ccc(Cl)cc1C(=O)N/N=C/c1ccco1 103204123 NARAWAAFWAHTPW-RGVLZGJSSA-N 347.802 3.227 50 1 EGGF CC=C(C)C(=O)O[C@@H]1C=C(C=O)[C@@]23C[C@H]1C(C)(C)[C@H]2CC[C@H]3C=O 2356610570 PUBAKVPNGHNJCR-AWOJCUAASA-N 330.424 3.261 50 1 EGGF CC#C[C@]12C=C(C#N)C(=O)C=C1[C@@]1(C)C=C(C#N)C(=O)C(C)(C)[C@@H]1CC2 43552674 DTJBMGDDDJWVAJ-HSQYWUDLSA-N 344.414 3.430 50 1 EGGF CC1=C(C#N)C(C2=CC=CN(C(=O)OC(C)(C)C)C2)C(C#N)=C(C)N1 40720204 LTCPGZNGKMXVQY-UHFFFAOYSA-N 338.411 3.492 50 1 EGGF COc1cc2c3c(c1)O[C@@H]([C@H](Br)C(C)C)[C@@H](C2)C3=O 587413561 HHJIMPRFTKOLRX-PSOPSSQASA-N 325.202 3.231 50 1 EGGF CCN(CC)CCOC(=O)[C@](C)(CBr)c1ccccc1 27431514 WQPXXECWIMUSPE-MRXNPFEDSA-N 342.277 3.224 50 1 EGGF COc1ccc(-c2nnc(SC/C(O)=C(/C#N)C(C)=N)o2)cc1 101875046 AFXRFIZEYZZCLL-CHGHBZRESA-N 330.369 3.213 50 1 EGGF CCOC(=O)[C@H](Cl)[C@]1(C)N[C@@H](CC)Cc2c1[nH]c1ccccc21 962938964 AWOQGDYTAHWWIG-GYOIFBIXSA-N 334.847 3.478 50 1 EGGF C=C(C)C(=O)O[C@@H]1C=C(C)CC[C@H](OO)C(=C)C[C@@H]2OC(=O)C(=C)[C@@H]21 2356605259 ZKQWDJFVKBUBDS-VVLHAWIVSA-N 348.395 3.117 50 1 EGGF O=C(N/N=C/c1ccc(F)cc1)c1c[nH]c2cc(Cl)ccc2c1=O 1857745722 YKNGRKPRUIVNKA-ODCIPOBUSA-N 343.745 3.085 50 1 EGGF C#C/C=C\C[C@@]12O[C@@H]([C@@H](Br)CC)C[C@]1(Cl)C=C[C@H]2O 238780881 IGMMYIKZUWHPMH-PKWPEZSUSA-N 345.664 3.175 50 1 EGGF CC(=O)Oc1ccccc1C(=O)Oc1ccc(F)cc1/C=C/C=O 1857768081 DCDMXEAJBRSLOF-SNAWJCMRSA-N 328.295 3.182 50 1 EGGF CC(C)(F)[C@@H](Br)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587087977 ZXVGGBROSPXTHP-VHSXEESVSA-N 329.173 3.471 50 1 EGGF COc1ccc2c(c1OC)[C@](CCl)(C(C)(C)OC)N(C)[C@@H](C)C2 962627285 LHQBPSAMMYOFKK-KPZWWZAWSA-N 341.879 3.439 50 1 EGGF O=C1Cc2cc3c(c4c2CCN1[C@@]41CCCCC[C@@H]1Cl)OCCO3 963270752 QZCBUIFXAIEXPT-HNAYVOBHSA-N 347.842 3.165 50 1 EGGF O=C(Cc1ccccc1)Nc1cccc(C(=O)N/N=C/c2ccco2)c1 5647026 NIHQBXWQRCDZET-KGENOOAVSA-N 347.374 3.225 50 3 EGGF NNC(=O)c1ccc(C(=O)N(c2ccccc2)c2ccccc2)cc1 36382787 NNXSZLMNSJFJCM-UHFFFAOYSA-N 331.375 3.269 50 1 EGGF C[C@@H]1CC[C@@H]2[C@@H](C)C(=O)N(c3ccco3)[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 195288358 SPQAXOKESMSRHK-BUPZNWHISA-N 347.411 3.478 50 1 EGGF