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0.031 50 1 JCGF COc1ccc2cc(NC(=O)[C@@H]3NO[C@@H]4[C@H](O)C=C[C@@H]5SS[C@@H]3[C@@]54O)c(=O)oc2c1OC 2356798306 PDBSRSOAAFMTAP-HGINCVBCSA-N 480.520 0.815 50 1 JCGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCOC(C)=O)C[C@](O)(CCl)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@H]12 2356546995 UYIUZKCMTKDYRT-ALBZTGEYSA-N 470.902 0.643 50 1 JCGF OC[C@@H]1O[C@H](OOc2ccc3c(c2)[C@H]2Oc4cc5c(cc4[C@H]2CO3)OCO5)[C@H](O)[C@@H](O)[C@@H]1O 70451001 GBQLZVMPAYMGMO-HIASYDKCSA-N 462.407 0.135 50 1 JCGF biogenic,in-vitro CCN1C[C@]2(O)CC[C@H](OC)[C@]34[C@H]1[C@](OO)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 255253968 OJTGVRVXRXFTNU-XQQRRIAESA-N 469.575 0.521 50 1 JCGF CC[C@H](C)[C@@H]1NC(=O)[C@H]2CSSCCC=C[C@@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O 2356387229 MJHZJODQLYCXHE-GNRYUNBRSA-N 487.644 0.915 50 1 JCGF CC[C@H](NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC(C)(C)C)C(C)(C)C)C2(C)C)B(O)O 195348742 SCWAYNBFLLPBOA-UVPYHEFZSA-N 452.405 0.889 50 1 JCGF 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Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](I)[C@H](O)[C@@H]1O 2356795001 LQJHXHDAYBSNLK-NBBQQVJHSA-N 488.023 0.630 50 1 JCGF O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 38185424 FWLNMQBPNXTZHJ-ACCUITESSA-N 468.875 0.692 50 3 JCGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)C2(CCN(S(=O)(=O)c3ccc(B(O)O)cc3)CC2)N1 963221860 GBANAHLOEDAAON-NRFANRHFSA-N 481.339 0.194 50 1 JCGF C=C1C[C@H](OC(=O)[C@H](CCl)OC(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](OC(C)=O)[C@]2(O)CO 2356655342 BJLVRCLCTBLIIL-XKLHFVBASA-N 486.901 0.418 50 1 JCGF C=C(C=O)[C@H]1CC(=O)[C@@H](C(=O)OC)[C@@H]2O[C@@](C)(CC2=O)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@@H](OC(C)=O)C1 29042238 KSXUAYYEMGKRGW-RSHLERHZSA-N 478.450 0.011 50 1 JCGF C[C@@H]1NC(=O)[C@H]2CCOCCSSCCCCC[C@H](NC(=O)[C@H]3CCCN3C1=O)C(=O)N2 299837464 KEWVXCHCIIDYGU-MWDXBVQZSA-N 486.660 0.827 50 1 JCGF COc1cc(CCC[O+]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)C2 84154135 AZKKHEOFXBWMPL-XFAOOQJDSA-N 477.486 0.931 50 1 JCGF biogenic,in-vitro 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Cc1cn([C@@H]2C[C@@H](O)[C@@H](C(=O)Nc3ccc(C(=O)CI)cc3)O2)c(=O)[nH]c1=O 27734877 XENFRPBWVRWCMG-SNPRPXQTSA-N 499.261 0.750 50 1 JCGF CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(=O)O)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 29337260 ZOIYJNVDWFAXKO-ULQDDVLXSA-N 465.459 0.212 50 1 JCGF O=C(C=Cc1ccc(O)cc1)OC[C@H]1O[C@@H](OOCCc2ccc(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O 2356330718 UOIKECDNPFWDAD-GMISPTPDSA-N 478.450 0.358 50 1 JCGF CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CO[C@]2(COC(C)(C)O2)[C@@]1(O)[C@H]1O[C@@H]1CC(C)C 26820036 CDBVFNNUVUTPJX-UIFJQSBASA-N 451.900 0.916 50 1 JCGF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]21 169333004 STJZLWRMEBNJRE-BYKRDPEMSA-N 452.239 0.543 50 1 JCGF CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2cccc([N+](=O)[O-])c2)cs1 28815620 QZHMDFRVBTYTGC-UHFFFAOYSA-N 491.515 0.658 50 1 JCGF C/C(=N\NC(=O)CN1CCN(C)CC1)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1 96169165 OZDXJYYURNAXQK-JVWAILMASA-N 458.530 0.905 50 1 JCGF CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CO[C@]2(COC(C)(C)O2)[C@@]1(O)[C@H]1O[C@H]1CC(C)C 26820045 CDBVFNNUVUTPJX-KYPRCFEGSA-N 451.900 0.916 50 1 JCGF Cc1c(Br)c(N2C[C@@H](C(=O)NN)CC2=O)c(Br)c(C)c1S(N)(=O)=O 1857539087 YZTCSMXMWIRWMH-ZETCQYMHSA-N 484.170 0.819 50 1 JCGF CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC/C=C/[C@H](CC(=O)N[C@H](C)C(=O)N2)OC(=O)C[C@@H]1O 95596380 MJHZJODQLYCXHE-WXZCCWHXSA-N 487.644 0.915 50 1 JCGF in-vitro CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)c1cnccn1)B(O)O 195283481 FOZWVVJZMJYWRL-JAXLGGSGSA-N 497.405 0.892 50 1 JCGF CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)c(F)c1 13651781 NIHREAULNHKQST-AWEZNQCLSA-N 468.887 0.895 50 1 JCGF O=C(CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)N1CCOCC1 169308997 YJCKJUMSYSQRHJ-SUONKVAMSA-N 450.127 0.623 50 1 JCGF C[C@@H]1[C@@H](OC(=O)C=Cc2ccccc2)C[C@H]2C(C=O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356680518 LEMYEEHONYESNR-KTWSHCIFSA-N 490.505 0.139 50 1 JCGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]3O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100390762 ZPXMEOGHWWIMAF-NPEATOENSA-N 460.476 0.103 50 1 JCGF in-man OC[C@H]1O[C@H](OOc2ccc3c(c2)[C@H]2Oc4cc5c(cc4[C@@H]2CO3)OCO5)[C@@H](O)[C@H](O)[C@H]1O 2356722383 GBQLZVMPAYMGMO-NWJGHQSDSA-N 462.407 0.135 50 1 JCGF CCOc1ccc(-c2nn(C(=O)[C@H](O)[C@H](O)C(=O)NN)c(=O)c3ccccc23)cc1OCC 587668738 CFJOJTALLDFIOP-RBUKOAKNSA-N 456.455 0.213 50 1 JCGF N/N=C(\NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)C(=O)O 14681584 CUAMOQBDBTWBMV-SRZZPIQSSA-N 494.393 0.971 50 1 JCGF C[S@](=O)C[C@](C)(O)[C@H]1OC(=O)C=C2[C@@]3(C)C[C@@H](Cl)[C@H](O)[C@]4(C)C(=O)O[C@H]([C@H]5O[C@@]251)[C@H]34 169639854 HAVZRTVIXDKXBL-KMVAFPFTSA-N 460.932 0.045 50 1 JCGF Nc1nc(/N=N/NC(=O)Nc2cccc(C(F)(F)F)c2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48999657 NIJHCHQAXCSLGV-SDBHATRESA-N 497.394 0.859 50 1 JCGF Cc1ccccc1-n1nnnc1SCC(=O)NNC(=O)C[C@@H]1NNC(=O)[C@H]2CCCC[C@H]12 618011999 GCOKBFDINLMWIF-KKUMJFAQSA-N 458.548 0.410 50 1 JCGF CCOC(=O)c1c(-c2ccccc2OC)n(-c2ccc(C(=O)NNC(=O)CO[N+](=O)[O-])cc2)[nH]c1=O 49088868 DENPIMUQXWOOLW-UHFFFAOYSA-N 499.436 0.987 50 1 JCGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 64448402 SNLSZOILMMJFBA-MDMHHNQBSA-N 467.390 0.567 50 1 JCGF O=C(Cc1ccc2c(c1)CCO2)N/N=C1\C(=O)Nc2cc(C(=O)NCCN3CCOCC3)ccc21 72179826 INWCOYAESFDVRT-UHFFFAOYSA-N 477.521 0.699 50 1 JCGF COc1ccc(C[C@@H](N)C(=O)N[C@@H]2[C@@H](Cl)O[C@@H](n3cnc4c(N(C)C)ncnc43)[C@@H]2O)cc1 29316006 SOYVKEBOZPXVCM-LCWQOBGYSA-N 475.937 0.410 50 1 JCGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCOC(C)=O)C[C@](O)(CCl)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@H]12 2356547001 UYIUZKCMTKDYRT-FKIQNOAQSA-N 470.902 0.643 50 1 JCGF CC(=O)Nn1c(Cc2csc(NC(=O)CCl)n2)nnc1SCC(=O)NNC(=O)CCl 28816983 JHRGHRGZTPOKRS-UHFFFAOYSA-N 495.374 0.071 50 1 JCGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](O)[C@](C)(CO)C[C@@]3(O)C=C(C=O)[C@@]12O 2356826726 HJRHGGYCWKCYOD-HBXUMJJISA-N 482.913 0.976 50 1 JCGF O=C(COc1ccccc1C(=O)NN/C=C1/C=CC(=O)C(O)=C1)NN/C=C1\C=CC(=O)C(O)=C1 100515378 HLEQAYWXBKEPOC-ADBGAXBCSA-N 464.434 0.850 50 1 JCGF OC[C@H]1O[C@H](OOc2ccc3c(c2)OC[C@@H]2c4cc5c(cc4O[C@@H]32)OCO5)[C@@H](O)[C@H](O)[C@H]1O 2356583402 SNEWRHSAAVMYGE-RKGMJUDSSA-N 462.407 0.135 50 1 JCGF Cn1c(=O)c2c(nc3n(Cc4ccccc4)c(=O)c(NCCBr)cn23)n(C)c1=O 13219004 IIBNACRVAGDDII-UHFFFAOYSA-N 459.304 0.902 50 1 JCGF Cc1cn([C@H]2C[C@@H](O)[C@@H](C(=O)Nc3ccc(C(=O)CI)cc3)O2)c(=O)[nH]c1=O 27734885 XENFRPBWVRWCMG-YUELXQCFSA-N 499.261 0.750 50 1 JCGF COc1cc(OO[C@@H]2OC[C@H](CO)[C@@H](O)[C@H]2O)c2c(-c3ccc(O)c(O)c3)cc(=O)oc2c1 2356337732 BDIFYHLEBJTHAL-LREABGNASA-N 462.407 0.877 50 1 JCGF Cc1cn([C@@H]2C[C@@H](O)[C@H](C(=O)Nc3ccc(C(=O)CBr)cc3)O2)c(=O)[nH]c1=O 40737773 BOLILKMMHLVIHC-VHDGCEQUSA-N 452.261 0.710 50 1 JCGF N#C[C@H](O)c1ccc(O[C@H]2O[C@H](COC(=O)/C=C\c3ccc(O)c(O)c3)[C@@H](O)[C@H](O)[C@H]2O)cc1 95913816 JFOZWBFVVDJAPB-WRFOZYNNSA-N 473.434 0.098 50 1 JCGF biogenic,in-vitro 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CCOc1ccc(-c2nn(C(=O)[C@@H](O)[C@H](O)C(=O)NN)c(=O)c3ccccc23)cc1OCC 587668737 CFJOJTALLDFIOP-OALUTQOASA-N 456.455 0.213 50 1 JCGF CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@@H]2CCCC2CCC2)[C@H](C)Cl)[C@H](O)[C@H](O)[C@H]1O 29048512 DLAQIAJMZQHRBS-RGPITTBFSA-N 451.029 0.828 50 1 JCGF N=C(N)NCCC[C@H](NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O 169998522 DSVGBRXCGKCTSK-QFIPXVFZSA-N 493.417 0.940 50 1 JCGF [N-]=[N+]=N[C@H](c1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O)C(Br)Br 105506939 ZDTHJCBYWMUMPA-LXGUWJNJSA-N 455.063 0.645 50 1 JCGF CC=C(C=O)[C@H](CC(=O)O)C[C@@H]1OC[C@@H]2O[C@H](OCCc3ccc(O)cc3)[C@H](O)[C@H](O)[C@@H]2O1 2356452365 NBPQOQHFVOITGU-VYFWGOCZSA-N 466.483 0.766 50 1 JCGF OC[C@@H]1O[C@H](OOc2ccc3c(c2)OC[C@H]2c4cc5c(cc4O[C@@H]32)OCO5)[C@@H](O)[C@H](O)[C@@H]1O 70451005 SNEWRHSAAVMYGE-YBNZSDQOSA-N 462.407 0.135 50 1 JCGF biogenic,in-vitro CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 64426731 HJELGBLHWZEQFG-QXCZDIPSSA-N 481.373 0.659 50 1 JCGF 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484.557 0.057 50 1 JCGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NC(CO)(CO)CO)c2ncccc2c1 299826597 MXZOJEIJAFOJRL-AWEZNQCLSA-N 464.523 0.053 50 1 JCGF C=C(C(=O)O[C@@H]1CC(=C)[C@H](OO)CCC(COC(C)=O)=C[C@@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO 2356658537 VQJJEVWMPNOJOZ-MFKWGIFDSA-N 452.456 0.993 50 1 JCGF COc1cc(C)c(C(=O)O[C@@H]2C[C@@]3(C)[C@@H]4[C@@H](O)[C@@](C)(CO)C[C@@]4(O)C=C(C=O)[C@@]23O)c(O)c1 14648462 GEZFFZYSQRTAPC-TVXUWZRKSA-N 462.495 0.625 50 1 JCGF endogenous,in-man COC(=O)[C@@]1(OC(C)=O)C[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1Br 205699820 GADWLCBKWDZZJS-XSEXMBABSA-N 453.238 0.424 50 3 JCGF CO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](NC(=O)N(CCCl)N=O)[C@H]1OC(C)=O 253632888 IQPDOPNOTVECJO-GZBLMMOJSA-N 453.832 0.085 50 1 JCGF CC(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)CCl 26296304 SIMJUCJLVOWGSV-AABGKKOBSA-N 480.009 0.972 50 1 JCGF CC(C)C[C@H](N)C(=O)N[C@@H](CCCN)CC(=O)NN(C)CC(=O)OCc1ccccc1[N+](=O)[O-] 1857751576 SJAGNGIFEAQUOR-ROUUACIJSA-N 480.566 0.588 50 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