smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@H]4[C@@H](O)[C@H]1[C@H]1[C@@H](O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]341)C2=O	101725606	OYNIPTDPTUSUAY-JOCCYVMKSA-N	542.496	2.011	30	40	KEEB	biogenic
CCCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046804	MNLZLOOQAMKTBH-MUUNZHRXSA-N	554.669	2.378	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(/N=C2/S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1	102962529	IKUGLRDMUMYJOF-GOTSBPSXSA-N	545.687	2.229	30	40	KEEB	
Cn1cnnc1Sc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	102963845	HZKIUNGKOFCNRA-XJVUNPDISA-N	559.633	2.212	30	40	KEEB	
COC(=O)COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1OC	409355287	CPMNIACYAWWEJS-UHFFFAOYSA-N	509.256	2.149	30	40	KEEB	
COc1ccccc1NN=C(C(=O)NS(=O)(=O)c1ccc(C)cc1)C(=O)NS(=O)(=O)c1ccc(C)cc1	8694650	DWQKHBABSVPHDW-UHFFFAOYSA-N	544.611	2.090	30	40	KEEB	
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692179	LNEUAHGGGCFWPJ-YEIMIPKBSA-N	561.672	2.338	30	40	KEEB	biogenic
COc1cccc(/C=N\[C@@H]2[C@H](OC(C)=O)O[C@H](COS(=O)(=O)c3ccc(C)cc3)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1	257347167	WSUXRXAACFEEDA-DBBDIDOQSA-N	577.608	2.348	30	40	KEEB	
O=C(COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1I)N1CCOCC1	409357252	PNCYMJJBBYVHHO-UHFFFAOYSA-N	660.206	2.431	30	40	KEEB	
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(S(N)(=O)=O)ccc3n2CC(=O)OCC)cc1	100877577	LZDMTESQRMQHDO-LCUIJRPUSA-N	578.694	2.017	30	40	KEEB	
C=CCc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc(OC)c1OCC(=O)N1CCOCC1	409399871	OHKRKSSEADMQJC-MOSHPQCFSA-N	539.541	2.134	30	40	KEEB	
COC(=O)[C@]1(O)C2=C(C(=O)[C@H](C)C[C@H](C)CC(C)=C[C@H](C)CC[C@H]3O[C@H]2[C@H](C)[C@H](O)[C@@H]3C)[C@H](O)C(=O)[C@]1(C)O	1772591207	LLGFOLGDQFBWGQ-JKUUQSJFSA-N	550.689	2.280	30	40	KEEB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=NNC(N)=S)c1cc(S(=O)(=O)N(CC)CC)ccc1-2	95117214	CNNYAKOBUFIICA-UHFFFAOYSA-N	523.706	2.314	30	40	KEEB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100955111	LGGWIFCVDQIBES-NIIPVMAPSA-N	559.524	2.081	30	40	KEEB	
COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OCc1ccc([N+](=O)[O-])cc1	103755617	UGOQXUQCPCRJFO-WPWMEQJKSA-N	550.576	2.487	30	40	KEEB	
CC1(C)[C@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O	257198912	LPLVUJXQOOQHMX-WTDSRYJUSA-N	822.942	2.246	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O	1547138056	KYTWXIARANQMCA-BFPZAGLBSA-N	748.952	2.047	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC)c(OC)c1	408958468	VWJJLUGAGWRBDY-RLWCNIOGSA-N	558.588	2.233	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(O)cc1O	408958874	XFKKQWBFUASCLM-ADHNYVKFSA-N	626.404	2.223	30	40	KEEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1	102879487	GVGNSIMXIZLDJE-BUANBSPESA-N	504.543	2.183	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	263596438	FQVHOULQCKDUCY-ZVWYVSKWSA-N	841.989	2.433	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	301054319	LPLVUJXQOOQHMX-ONJMGBCCSA-N	822.942	2.246	30	40	KEEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957180	SJBMANHEXHBOPJ-WOEPFXTOSA-N	552.584	2.228	30	40	KEEB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2207008	SRSIIWWJRGRROL-IUFCOECKSA-N	524.002	2.261	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(/N=C2\S[C@@H](CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1	97981965	IKUGLRDMUMYJOF-YMVPSHTBSA-N	545.687	2.229	30	40	KEEB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(CC#CCN1CCN(CC#CCN3C(=O)[C@@H]4CC[C@@](C)(C3=O)C4(C)C)CC1)C2=O	100671864	BCGSWEBHVBXHSR-UDRQUUIHSA-N	548.728	2.233	30	40	KEEB	
CCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OCC(=O)OC)[C@@H]1NC(C)=O	107160077	OCKSWIMTTYRVGW-HSQNVRHTSA-N	517.616	2.426	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408944463	GOOCXABDZNCNTJ-JGPFBCKMSA-N	651.467	2.442	30	40	KEEB	
O=[N+]([O-])c1cccc(Nc2nc(N/N=C/c3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCOCC3)n2)c1	8872923	USRZONILZVEIMY-SSDVNMTOSA-N	509.439	2.443	30	40	KEEB	
COC(=O)/C(=N/N)[C@H](C(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O	104297336	OBYALTOTXPFLHX-SBLYMHHDSA-N	521.273	2.330	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(O)cc1O	408958877	XFKKQWBFUASCLM-XEDHFCPRSA-N	626.404	2.223	30	40	KEEB	
COc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Br)cc2)cc1	100680406	QTCDTTVKLTWWCB-HDDDNDSPSA-N	543.378	2.080	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	150402890	XGPZAUVGPYBEHV-SYUMIYEHSA-N	682.723	2.403	30	40	KEEB	
COC(=O)[C@@H](C)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409404837	MMBZJXGKBUVOHC-ZMPPFODHSA-N	524.311	2.381	30	40	KEEB	
C/C(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1	408718641	NWOCEOXDICKZHO-WOBLBKRWSA-N	534.621	2.061	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1	408954095	PESNBYPXWBTOCT-WCYITLMCSA-N	698.467	2.284	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)c1	98047962	YIYZJXRDFXKMFF-QHCPKHFHSA-N	531.606	2.377	30	40	KEEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)sc2cc(S(N)(=O)=O)ccc21	100874597	SVOAPZPGUQYYJD-LNVKXUELSA-N	508.647	2.308	30	40	KEEB	
COc1cc(OC)c(OC)cc1/C=C1\Oc2cc(OCC(=O)N[C@@H](CCC(=O)O)C(=O)O)ccc2C1=O	12885322	MQZKJTLYRFBRKD-JRLSWLOKSA-N	515.471	2.142	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	408943439	FSVFKRQNWNUPQS-CZYGPWSVSA-N	556.576	2.181	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)c(OC)c1	408954377	PLDUOXYMAUKOKG-SIJOXOPISA-N	553.572	2.118	30	40	KEEB	
CC(=O)O[C@H]1[C@@H](COS(=O)(=O)c2ccc(C)cc2)OCO[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(C)=O	104182318	JJJOKCGHKBDRTF-UCDDGIFISA-N	586.637	2.019	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@@]1(C)O	1569999068	KYTWXIARANQMCA-WHRHGQPYSA-N	748.952	2.047	30	40	KEEB	
CCCCOC(=O)[C@H]1C[C@@H]2O[C@@H]2C[C@H]1C(=O)OCCOCCOC(=O)[C@H]1C[C@@H]2O[C@H]2C[C@H]1C(=O)OCCCC	104375374	MJDBSDYVGIQIRE-MKQNOXKVSA-N	554.633	2.363	30	40	KEEB	
CCCCCCCCCC[C@@H](C)[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@H](C)CC)C(=O)O1	150344767	HTPODFYRHLWACU-KSEVMTGOSA-N	888.117	2.058	30	40	KEEB	biogenic,in-vitro
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257198597	DCUGDHFMGSIDFG-JAPZOPLRSA-N	591.742	2.298	30	40	KEEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1	24147834	SARDPDUZFHLKMJ-MUUNZHRXSA-N	503.555	2.293	30	40	KEEB	
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1)c1ccccc1	100681215	KDKHLBQZEXOAFM-HDFIIFABSA-N	527.379	2.462	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O	245205013	KYTWXIARANQMCA-GKMUCEFUSA-N	748.952	2.047	30	40	KEEB	
COc1c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc2c(c1OC)OCO2	96335800	LOMWIBGMLCPZFT-GOSISDBHSA-N	502.545	2.405	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408948909	LBGSMBJERXFJLP-TZZDNGDJSA-N	573.559	2.133	30	40	KEEB	
CCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](O)[C@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	67911700	LOTLMZWGLBOKFL-LJPXJIEPSA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
CCOc1cc(Br)c(N2/C(=N\C(=O)COC)S[C@H]3CS(=O)(=O)C[C@H]32)cc1OCC	101311273	KVHGWWHZOLTQKZ-ZFUGZCFHSA-N	507.428	2.494	30	40	KEEB	
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C\c2cccc3ccccc23)c(=O)n1-c1ccccc1	103369462	CHXMJUHMHMTSKO-NMIIRPGCSA-N	510.619	2.004	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	242649228	RXZBMPWDPOLZGW-FECSMRQMSA-N	837.058	2.210	30	40	KEEB	
CCN1C[C@@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@@H]2OC	249688692	ILNXJLNWARWHMD-TWVQIRGBSA-N	600.709	2.153	30	40	KEEB	
CC(=O)O[C@H](CCC(C)(C)O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C	263590106	YAIZECBIJHIPCU-ICMBRTTDSA-N	522.679	2.425	30	40	KEEB	
C=CCN1C(=O)N/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C1=O	409125561	BAIVCENBUSIKPC-IZZDOVSWSA-N	554.078	2.438	30	40	KEEB	
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\C)Nc3ccc(N[C@@H]4CS(=O)(=O)C[C@H]4O)cc3)C(=O)[C@@]12C	1547212403	KEJSKMPEMGMZDC-OIJQIWHESA-N	568.604	2.251	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C)cc1	102800657	AQDJFMKKEAOVFT-ZHHPLPSFSA-N	514.600	2.474	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1	104374483	ORNJEIYICYPRDK-KGWSWXIGSA-N	528.601	2.020	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N(C)C)cc1	408945807	HUCVQHWFJMEZEK-UCYCTBOASA-N	511.579	2.273	30	40	KEEB	
COC(=O)[C@@]1([C@@H]2CCC(=O)N2)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288258	YRDWMYMUXJIKKU-AJRZHNHJSA-N	571.538	2.492	30	40	KEEB	biogenic,in-vitro
CCN1C[C@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC	1559556397	ILNXJLNWARWHMD-ZGOKYXSTSA-N	600.709	2.153	30	40	KEEB	
COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	70692124	KGCYEHKRMXHVDC-SSQNNYGNSA-N	571.667	2.485	30	40	KEEB	biogenic
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](OC(N)=O)[C@H](OC)/C=C/C=C(/C)C(=O)NC(=C(/C=N\N3CCOCC3)C1=O)C2=O	150388505	NBLSLHGULNLUQD-QRGTZHBLSA-N	672.776	2.097	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408948069	KCTNPEAQVSPSMO-NSQVPDOZSA-N	570.599	2.149	30	40	KEEB	
CCOc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047966	SADZLRPBGRCWTN-MHZLTWQESA-N	599.706	2.407	30	40	KEEB	
C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)C(C)(C)/C=C/[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O	67911966	OFUTZNNUWRTXHO-RQGSMOOYSA-N	650.674	2.283	30	40	KEEB	biogenic,in-vitro
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(OS(C)(=O)=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21	97957596	ZOZUFVUTVAZUDP-DJVNYRPLSA-N	661.781	2.065	30	40	KEEB	in-vitro
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1O[C@@H](C)C(=O)O	409402177	DCIFUAOEBPCHDE-UKXMPADASA-N	510.284	2.293	30	40	KEEB	
Cc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1	19994696	PWPFBQWKPVFZBE-JOCHJYFZSA-N	517.604	2.139	30	40	KEEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317894	DMKLFHSAMJNWNC-GTBJWYNWSA-N	551.428	2.417	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NO)[C@@H](C)[C@@H](O)[C@]1(C)O	299888480	KYTWXIARANQMCA-CPZQUHNNSA-N	748.952	2.047	30	40	KEEB	
C/C(O)=N/S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	8833032	ZQWGGTPCUKKSID-UHFFFAOYSA-N	507.550	2.223	30	40	KEEB	
CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C(=O)OC)[C@@H](c2cccc(OCC)c2)C=3C#N)cc1	2260786	INZDEDXPYMWVMX-JFLYLQGUSA-N	503.580	2.308	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@@H]1O	618072171	IEMDOFXTVAPVLX-CVMRRZJHSA-N	785.969	2.443	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1O)n2C[C@@H](O)COc1ccc2ccccc2c1	8926248	UMXNRGOIMHYITN-SIQOIFSASA-N	500.515	2.168	30	40	KEEB	
CN1/C(=C\C(=O)COC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21	102778367	ZNITWDSKDFRUSI-WGJADDRXSA-N	529.571	2.143	30	40	KEEB	
CC1=C/C(=C(/c2ccccc2S(=O)(=O)O)c2cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c2C)C(C)=C(CN(CC(=O)O)CC(=O)O)C1=O	150345396	RCAAHHBPFMCSEF-UQRQXUALSA-N	700.719	2.346	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	204880059	KLVFPBQMCBMXDO-GMFKMIHKSA-N	582.694	2.397	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(Br)c2)C(=O)NC1=S	408902094	FWWUADPAZDHDDN-RUDMXATFSA-N	504.156	2.488	30	40	KEEB	
C=C[C@@](C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O	67911878	CNQSCAAZMOPGOT-AKHZVDKUSA-N	598.601	2.306	30	40	KEEB	biogenic,in-vitro
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)cc1	97954927	JGITXOJPUALVJL-QHCPKHFHSA-N	531.606	2.377	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC)c1OC	408946059	IAUPASQGDQTYHQ-SHVUTSSTSA-N	528.562	2.224	30	40	KEEB	
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CS[C@H]12)c1csc(N)n1	43773429	AFZFFLVORLEPPO-BFQXLQLQSA-N	620.735	2.298	30	40	KEEB	in-vitro
O=C1C(=C2N[C@@H](C(=O)O)[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)C(=O)c2ccccc21	100910794	LTHAYVRJWBEWNN-GRDNDAEWSA-N	548.861	2.157	30	40	KEEB	
C#CCOc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944445	GNPRUJVBJNORGK-IBKQCDLOSA-N	552.584	2.228	30	40	KEEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408948952	LEKAMSODHYSKTR-CZYGPWSVSA-N	528.562	2.311	30	40	KEEB	
COc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])cc(I)c2O)cc1OC	17176734	DTZJTVLJCWHTOV-IUXPMGMMSA-N	507.262	2.235	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(O)cc1O	408947587	JJHCJXRAFXHNRT-ISVMPSLRSA-N	579.404	2.381	30	40	KEEB	
COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N\N)C(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)O	8653533	ZHOJXKTUXQOCGC-RLMKPZMUSA-N	556.384	2.482	30	40	KEEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc([N+](=O)[O-])c1OCC(=O)N1CCOCC1	409307577	TTXPPRQBFAMFKF-UHFFFAOYSA-N	530.335	2.495	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@H](OC2=C(c3ccccc3)C(=O)C(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)=C(c3ccccc3)C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	263601669	LJQICEPXOKOTEJ-XFDQUKNFSA-N	952.868	2.160	30	40	KEEB	
COc1cc(OC)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	32505936	GUWQCBQCXGXCRT-DOYWDMBWSA-N	520.029	2.483	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317732	FPMCNXCMDJMTDJ-USHDUVECSA-N	508.359	2.148	30	40	KEEB	
COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@](C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=C[C@](C)(O)[C@H](O)[C@@H](C)[C@H]1O	254201703	VFWVBAYZDJRDPD-UTXHXALYSA-N	785.840	2.220	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1cccs1	2673142	GUBJGKYTILGSJD-GOBJLOIFSA-N	505.577	2.289	30	40	KEEB	
O=[N+]([O-])c1ccc(COc2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	33921344	OLLSNGZOBPFNKE-ONUIUJJFSA-N	520.550	2.478	30	40	KEEB	
CC1=C/C(=C(/c2cc(C)c(O)c(CNCC(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(CNCC(=O)O)C1=O	100154360	KRKXJTVSUGCCBR-XIEYBQDHSA-N	556.593	2.053	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccccc1F	102867853	ZFHIRBNKKDDTIF-MOBKVPTQSA-N	518.563	2.305	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408948071	KCTNPEAQVSPSMO-PQXWGOQYSA-N	570.599	2.149	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@@H]1O	618072173	IEMDOFXTVAPVLX-XHSYIBIVSA-N	785.969	2.443	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1	70692108	PVRFIZPFOOFSKA-NQFLDKDMSA-N	623.699	2.192	30	40	KEEB	biogenic
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957176	SJBMANHEXHBOPJ-MLPXVHMNSA-N	552.584	2.228	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	79216791	IANDTMRUEFTZQG-RRVSIJTPSA-N	670.712	2.324	30	40	KEEB	biogenic
O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1	14169617	CSDLTXUABRLWOI-UHFFFAOYSA-N	504.594	2.272	30	40	KEEB	
C=C1C[C@@H]2[C@@]3(C)[C@@H]([C@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@]12C)C(C)(C)OC(=O)C[C@H]3OC(C)=O	247977123	VPQXGRQIXIAIQO-ZKEOPMCCSA-N	534.602	2.292	30	40	KEEB	biogenic,in-vitro
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1OCC(=O)O	409406994	RXJPOWAHYNABEI-MWDDYTRKSA-N	510.284	2.294	30	40	KEEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)cc1OC	100255215	CQQIPTZAYBKSMG-QFIPXVFZSA-N	556.568	2.360	30	40	KEEB	
CSCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	150344987	CSXOSSFEQCYOIV-JOZOUYMQSA-N	662.802	2.148	30	40	KEEB	
C=C1C[C@H]2[C@@](C)([C@@H]3C(=O)O[C@](C)(C(=O)OC)C(=O)[C@]13C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H](O)[C@]12C	248330051	FFXYBQSGDXRLHS-APXRKGDMSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	408948928	LDGDMQCUZDAORH-KTZPYHGSSA-N	543.533	2.124	30	40	KEEB	
C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)C1	103041286	LDYAHFULZKJBIR-BGYRXZFFSA-N	530.672	2.372	30	40	KEEB	
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1	14359033	VYJITHCCHLDXSE-QNOMYKJPSA-N	520.564	2.239	30	40	KEEB	
CC1(C)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12	252694508	LPLVUJXQOOQHMX-QIINBALLSA-N	822.942	2.246	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])c(OC)cc1OC	408944562	GUBJYRLOWMUVML-WGDWGZJWSA-N	573.559	2.133	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(OC)c1	408959307	ZDMKOGBIJSNSBZ-ZOLLBZJMSA-N	528.562	2.224	30	40	KEEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1OC	8988276	IJHIWSJILARESS-SBXHHDGASA-N	512.559	2.475	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1	102888094	RNLHGPNOCFPVCB-MOBKVPTQSA-N	518.563	2.305	30	40	KEEB	
C=C1[C@@]2(CCC(=O)OC2(C)C)C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@]34C(=O)O[C@@H](C)[C@@]35O[C@]12[C@@H](OC(C)=O)[C@@](C)(OC5=O)C4=O	100063875	PUNXZEDIXYLVKL-DZASDXIZSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@H](O[C@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@H](C)CN[C@@H]1[C@@H]2C	38151492	WOWOEXHOMMENAS-OARXKHCOSA-N	587.754	2.210	30	40	KEEB	
CC(C)C[C@@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)/N=C\C=O)N(C)C[C@H](N)CC(C)C	162079881	DBIVSFCCTOEQTP-LHRRAIANSA-N	744.938	2.189	30	40	KEEB	
C=CCn1c(=O)/c(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)s/c1=C(/C#N)C(=O)N1CCOCC1	101350829	HREVYJURJXIJTN-FXZGTVGXSA-N	523.618	2.310	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	150402917	VQJREPKBHCUTJQ-FURAPDDHSA-N	655.741	2.424	30	40	KEEB	
CC(=O)OC[C@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	100955106	LGGWIFCVDQIBES-ZWCGCWBASA-N	559.524	2.081	30	40	KEEB	
CCOC(=O)COc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944074	GGCODLQXPUVRPN-WDCDRFKXSA-N	600.625	2.158	30	40	KEEB	
O=C1C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1cc(N=Nc2ccc(S(=O)(=O)O)cc2)ccc1S(=O)(=O)O	606509828	JUCAIXBGUQDWQF-OGVISGSZSA-N	672.653	2.470	30	40	KEEB	
C/C(=N/N=C1\NC(=O)C[C@@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)S1)c1ccc(Br)s1	100640178	YYMFOLJWDSWICH-PGRIZOJTSA-N	558.505	2.219	30	40	KEEB	
CC(=O)OC[C@H]1O[C@@H](SC2=C(Cl)C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70686611	SUCRWNGJHHXAJQ-XVKUDFEISA-N	554.957	2.332	30	40	KEEB	biogenic
Cc1ccccc1OC[C@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(=O)[nH]c(=O)n2C	100267556	QNPIQDJBHUMXDV-LHSRNITLSA-N	527.379	2.380	30	40	KEEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1OCC(=O)OC	409403889	JJCSYKIKRQLNEZ-DSIZOQBWSA-N	524.311	2.383	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	102892787	KQFHHJCGTHMQEN-JBCNATCCSA-N	504.561	2.022	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	97947104	PKOGCGUOHFHVLU-UGUGFTGJSA-N	529.574	2.236	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)cc1	102517248	YJZWAODQYUIZFI-AYWGPLOBSA-N	513.616	2.081	30	40	KEEB	
CCOC(=O)COc1ccccc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408953530	ONZYIIJBVZUYTH-NOWBDZBYSA-N	570.599	2.149	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	2282364	OIDRRZGSRQOKCB-UGUGFTGJSA-N	529.574	2.236	30	40	KEEB	
C=CCNC(=O)O[C@@H]1CC(C(=O)N[C@H](CC(C)C)C(N)=O)=C[C@@H](NC(=O)c2ccccc2Br)[C@H]1OC(=O)NCC=C	4221611	KABFNEKTQHELJD-SSGKUCQKSA-N	634.528	2.455	30	40	KEEB	biogenic,in-vitro
COc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC	9186773	ANPUTCIZVSMQDN-AYWGPLOBSA-N	531.631	2.328	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	100837202	YGUMOQFSRDFDAG-HSZRJFAPSA-N	561.682	2.070	30	40	KEEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874686	WPNJTFRGDURBPI-SGVWPLLPSA-N	550.684	2.075	30	40	KEEB	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2ccc3oc(=O)ccc3c2)cc1	1698336	IQUYRTCVGLAKOT-XQNSMLJCSA-N	508.574	2.302	30	40	KEEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O	27020870	SHKJKQTZFOWIKN-XMMPIXPASA-N	510.543	2.473	30	40	KEEB	
COc1ccc(S(=O)(=O)OCCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1C(=O)O	226856927	CMMDFUCJHVXAML-UHFFFAOYSA-N	500.441	2.456	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	33355383	BCYAEBMFYUMUKE-XMMPIXPASA-N	620.522	2.381	30	40	KEEB	
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(/C)NCCC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)[C@@]12C	257198827	JNYHEGUSMKHBID-ZYMXCGESSA-N	587.629	2.356	30	40	KEEB	
CCNC(=S)N/N=C/c1cc(I)c(OCC(=O)OC)c(I)c1	409372390	KPZJUNQHQFHXRC-UBKPWBPPSA-N	547.156	2.266	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1ccc(OCC(N)=O)cc1)C2=O	524730215	ZZDYQTIRSVXTKQ-NSHQFOKRSA-N	637.045	2.053	30	40	KEEB	biogenic
CCCC[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	79221114	UPGNPFVWNGZMBG-GYWOHENXSA-N	646.778	2.377	30	40	KEEB	biogenic
CCOc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1	98047965	SADZLRPBGRCWTN-HHHXNRCGSA-N	599.706	2.407	30	40	KEEB	
COC1=C2C[C@@H](C)C[C@@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@@H](OC)/C=C\C=C(\C)C(=O)NC(=CC1=O)C2=O	100006658	QTQAWLPCGQOSGP-POCGBFRBSA-N	560.644	2.408	30	40	KEEB	in-vitro
COc1cccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1	98047028	DPJSCWIXTMRNQT-AREMUKBSSA-N	585.679	2.017	30	40	KEEB	
CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5537043	WAAMLROLJKIBIZ-MHMIHQHRSA-N	520.560	2.224	30	40	KEEB	
Cc1ccc(-n2c(=O)/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)N2CCCC2)cc1	102963538	BNEGXNFABULRSG-VJFHARHYSA-N	545.621	2.078	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1	408948903	LBEAPYOOMLDWPM-QNNRQLQASA-N	621.043	2.421	30	40	KEEB	
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@]34C(=O)N(C)c3ccccc34)ccc2O1	24147292	QWZBXXRNGQQUOX-RBSBEOHCSA-N	517.582	2.441	30	40	KEEB	
COc1ccc(-c2csc(C3=C(N)N(CCc4ccc(S(N)(=O)=O)cc4)CC3=O)n2)cc1OC	13551504	QYZIGVPKLAZQDI-UHFFFAOYSA-N	500.602	2.229	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317727	FPMCNXCMDJMTDJ-TXXBVZAJSA-N	508.359	2.148	30	40	KEEB	
C[C@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	70692097	SYJFEZXIMZBLMC-OIAMRLAASA-N	547.645	2.092	30	40	KEEB	biogenic
COc1cccc(/C=N\[C@@H]2[C@H](OC(C)=O)O[C@@H](COS(=O)(=O)c3ccc(C)cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1	105023576	WSUXRXAACFEEDA-BYQVYBHWSA-N	577.608	2.348	30	40	KEEB	
C#CCOc1ccc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1I	409139747	BUGBHCYXPRDRQH-LFIBNONCSA-N	512.325	2.198	30	40	KEEB	
O=C(O)CCNC(=O)c1ccc(/N=N/C2=C/C(=N/Nc3ccc(C(=O)NCCC(=O)O)cc3)C(=O)C(C(=O)O)=C2)cc1	142858385	OBGFTRGDBBTTFV-QYUHFBTDSA-N	576.522	2.125	30	40	KEEB	
CC(=N/C(O)=C(\Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	1560410665	DEFJEQUMYBZJLO-XLTOLMLBSA-N	871.016	2.343	30	40	KEEB	
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C	257444401	IHTCCHVMPGDDSL-XYJZMBRDSA-N	574.711	2.472	30	40	KEEB	biogenic
COC(=O)[C@H](Cc1nc2ccc(Cl)cc2[nH]c1=O)/C(=N\N)C(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)O	73277384	ZHOJXKTUXQOCGC-ZZHOMEAWSA-N	556.384	2.070	30	40	KEEB	
COc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc3c(c2)OCO3)cc1OC	32507870	ZBKVJANXBCZECQ-GAIDYUFDSA-N	504.586	2.272	30	40	KEEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c2ccccc21	97956794	RIYOJWFGZKXEAU-XRHLQHRESA-N	539.610	2.215	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(/N=C2/S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1	102962530	IKUGLRDMUMYJOF-SIHNDCSESA-N	545.687	2.229	30	40	KEEB	
CNC(=O)[C@H](C)[C@H]1C(=O)/C(=C(O)/C=C/C(C)=C\[C@H](C)[C@H]2O[C@]3(C)O[C@@H](C=C[C@@]34CO4)[C@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1	104039082	KVTPRMVXYZKLIG-GKJSVHDPSA-N	600.709	2.460	30	40	KEEB	
O=C(O)c1ccccc1/C=N/N=c1[nH]c2nonc2[nH]c1=Nc1ccc(I)cc1	408730296	FNCDNKBCXBWYMP-AWQFTUOYSA-N	501.244	2.349	30	40	KEEB	
COc1cc(/C=N\Nc2nc(=Nc3ccccc3)nc(N3CCCC3)[nH]2)ccc1OCC(=O)N1CCOCC1	409206023	UQHFKRFFYVZGIU-VEILYXNESA-N	532.605	2.330	30	40	KEEB	
CC(=O)N[C@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	70673614	OQUGHBWMRWLNMR-DJCZXPFRSA-N	543.525	2.211	30	40	KEEB	biogenic
CCCCOC(=O)[C@H]1C[C@@H]2O[C@H]2C[C@@H]1C(=O)OCCOCCOC(=O)[C@@H]1C[C@H]2O[C@H]2C[C@@H]1C(=O)OCCCC	104375379	MJDBSDYVGIQIRE-NQQYONMLSA-N	554.633	2.363	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@H]1C(=O)O	70692049	RUEIZZQOIROXMJ-WJYXFGFGSA-N	559.656	2.188	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(OC)ccc1OC	408948811	KXHLCVYEIYUXSE-FOFBPULZSA-N	528.562	2.224	30	40	KEEB	
C/C(=N\OCC(=O)O[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCO2	72135784	PJLOUSRBKGKTEV-OVKKOYPGSA-N	547.586	2.056	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79216672	WOWOEXHOMMENAS-AQPVVMMPSA-N	587.754	2.210	30	40	KEEB	biogenic
C=CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777033	HWFIQKXWUVCKLO-LJQANCHMSA-N	536.050	2.459	30	40	KEEB	
C=CCN(c1ccc(C(=O)NCCOc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1)S(C)(=O)=O	224298862	GXSMMXUVWQSZQK-UHFFFAOYSA-N	507.634	2.232	30	40	KEEB	
CC(=O)N=C1C=CC(=NN=C2C=C3C(=O)C=C(NC(=O)Nc4ccc5c(c4)=CC(=S(=O)(O)O)C(=NNc4ccccc4)C=5O)C=C3C=C2S(=O)(=O)O)C=C1	409415835	QMDKTZIKKZUFAB-UHFFFAOYSA-N	769.774	2.155	30	40	KEEB	
COC(=O)[C@@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N/N)C(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)O	104290995	ZHOJXKTUXQOCGC-FELYFFSPSA-N	556.384	2.482	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	33515367	LXAUBXXWOFZDDS-QHCPKHFHSA-N	526.542	2.352	30	40	KEEB	
COc1ccc(-c2c(Br)c(SC)nc(S[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2C#N)cc1	100955288	SLPLREKTLVJSTM-IEKXTCBJSA-N	529.434	2.005	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC)c(OC)c1	408958466	VWJJLUGAGWRBDY-IYYUSKDXSA-N	558.588	2.233	30	40	KEEB	
CCOc1ccc(-n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)s/c2=C(/C#N)C(=O)N2CCCC2)cc1	3255406	XRVKFMQFRUJRLP-RGSHQYCDSA-N	503.580	2.210	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1	102878819	RILWBECIBWNCFC-HOGKFDNTSA-N	534.034	2.344	30	40	KEEB	
N#Cc1ccc(CN2CCN3C(=O)c4ccccc4OCC[C@@H]4CC[C@@H](NC(=O)C5CCOCC5)[C@@H](CNC(=O)[C@@H]3C2)O4)cc1	253397944	GHCLUXLKSOXPNM-CLWAWUJFSA-N	615.731	2.243	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1	70691948	BAYQCOHYDZEZIK-RRVSIJTPSA-N	625.715	2.416	30	40	KEEB	biogenic
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c2c1OCO2	100254995	ZVARSYGLQRHYQR-NRFANRHFSA-N	540.525	2.072	30	40	KEEB	
COC(=O)C(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1)=C1Nc2ccccc2N1	103082223	QNDKLORMEJTREE-UHFFFAOYSA-N	557.610	2.341	30	40	KEEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1	8816923	WHGIWCZNMNJSQH-QHCPKHFHSA-N	504.543	2.340	30	40	KEEB	
CCOc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O	12531625	QCTGSAYEUYFITP-ZVBGSRNCSA-N	515.342	2.241	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@]3(COS(=O)(=O)c4ccc(C)cc4)OC(C)(C)O[C@@H]3[C@H]2O)cc1	72399771	RWMGKKKBAWACGX-QXUYBEEESA-N	528.601	2.022	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1	101100220	CIDRLYIACYWTFP-HOGKFDNTSA-N	578.485	2.453	30	40	KEEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408948955	LEKAMSODHYSKTR-GSJUJJHQSA-N	528.562	2.311	30	40	KEEB	
CC(C)C[C@@H](NC(=O)[C@H](N)CCC(=O)OCc1ccccc1)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O	95550174	DYVHVMLSWFNVIT-YVEASBDZSA-N	771.868	2.405	30	40	KEEB	
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	253529678	LOTLMZWGLBOKFL-JACIAKBISA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
Cc1ccccc1OC[C@H](O)Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	100267513	JRWRECWZEKPCDD-DTKBVBGUSA-N	543.378	2.086	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(O)cc1	9329224	IBZFYYQWQUBBIX-JOCHJYFZSA-N	516.572	2.028	30	40	KEEB	
O=C(COc1c(Cl)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1Br)N1CCOCC1	409404399	KZCULHGEBDSKDV-KODHJQJWSA-N	522.783	2.481	30	40	KEEB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@@H](C)Oc2ccc(C#N)cc2)CC1	12523370	SFEMLKRZZWAMFU-HXUWFJFHSA-N	527.647	2.127	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	150344983	PUAPOUIPTCFMNT-AMCSRNGHSA-N	657.717	2.099	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c1ccccc1	70692107	PVRFIZPFOOFSKA-RRVSIJTPSA-N	623.699	2.192	30	40	KEEB	biogenic
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c3c(c2OC)OCO3)cc1OC	100255225	HRTLVRGDTSLKTK-QFIPXVFZSA-N	556.568	2.360	30	40	KEEB	
CC(=O)O[C@H]1CC[C@]2(COS(C)(=O)=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1	118929097	OXBITJFIYMNVNH-MKIBSSQDSA-N	526.648	2.246	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])c(OC)cc1OC	408944558	GUBJYRLOWMUVML-ULPMAKIDSA-N	573.559	2.133	30	40	KEEB	
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](O)[C@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	67911703	LOTLMZWGLBOKFL-PVHYNPRVSA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc3c(c(OC)c2OC)OCO3)c1	85412590	HPSBYJLYLAUIJJ-NRFANRHFSA-N	526.542	2.352	30	40	KEEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O	253950936	ACTOXUHEUCPTEW-KXWHMLDXSA-N	843.065	2.325	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC(C)=O)c(OC)c1	408946254	IHEZVKBGSGNSAN-NJCZOMIOSA-N	556.572	2.141	30	40	KEEB	
COC(=O)[C@H](Cc1nc2ccc(Cl)cc2nc1O)/C(=N/N)C(=O)Nc1cc(C)c(Cl)cc1S(=O)(=O)O	8653531	ZHOJXKTUXQOCGC-BWBMJLIPSA-N	556.384	2.482	30	40	KEEB	
COc1cc(OC)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl	32505932	GUWQCBQCXGXCRT-XBNWFYHVSA-N	520.029	2.483	30	40	KEEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	33515368	LXAUBXXWOFZDDS-HSZRJFAPSA-N	526.542	2.352	30	40	KEEB	
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N1CCC[C@H]1C(=O)O	150344871	OBKXXOQKGPZOES-CEYVQKOVSA-N	658.789	2.329	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	408948455	KHJIDQOKMOQJSX-IISZPMRSSA-N	527.534	2.424	30	40	KEEB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	1775937545	CAKDFKUXFMLCAR-UIOGXPPZSA-N	836.969	2.334	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	5537045	WAAMLROLJKIBIZ-MFKCLSPESA-N	520.560	2.224	30	40	KEEB	
CNc1ccccc1C(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O	95842878	UPAIGGMQTARRMN-CSSCWBSHSA-N	539.625	2.407	30	40	KEEB	in-vitro
CC(=O)O[C@H]1C[C@@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@]34O)[C@@]2(C)C[C@H]1O	1775937566	UWFCFVQTAHITKV-OHMFQJFASA-N	522.679	2.425	30	40	KEEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c1OCO2	96335835	KNPCJZLGYJICKK-HSZRJFAPSA-N	524.526	2.106	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@@H]1C)C2=O	1547203736	OXWRNDXDRBJKSC-CAODEWSNSA-N	596.036	2.130	30	40	KEEB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O	257199241	XLHAHJIHHKLTJD-MUJUATQPSA-N	531.646	2.104	30	40	KEEB	
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@@]12C	257444400	IHTCCHVMPGDDSL-PONYWZLDSA-N	574.711	2.472	30	40	KEEB	biogenic
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	252429435	OQUGHBWMRWLNMR-MIQUMJAZSA-N	543.525	2.211	30	40	KEEB	
C=C1C(=O)[C@@]23[C@H](OC(C)=O)C[C@@H]4C(C)(C)CC[C@@H](OC(C)=O)[C@@]4(C)[C@H]2[C@@H](OC(C)=O)C[C@]1(O)[C@@H]3OC(C)=O	95100267	OICJJPULPAOUPO-GIOAEJDDSA-N	534.602	2.436	30	40	KEEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046803	MNLZLOOQAMKTBH-NDEPHWFRSA-N	554.669	2.378	30	40	KEEB	
CON(C)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)S/C2=N\c2cccc(S(=O)(=O)N(C)C)c2)c1	97981033	LBAQXPGAWHAEID-WNIYRAMRSA-N	526.662	2.384	30	40	KEEB	
COC1=C(C(=O)O)[C@H](C)[C@@]23O[C@]24c2cc(O)c5c(c2N[C@H]3C#CC=CC#C[C@H]14)C(=O)c1c(O)ccc(O)c1C5=O	254093585	AFMYMMXSQGUCBK-NIHMTDANSA-N	537.480	2.165	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	70708261	HALDTNRHXOYUHF-DUIUYQQLSA-N	621.797	2.053	30	40	KEEB	biogenic
CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@H]1C[C@H](C)CN[C@H]1[C@@H]2C	257198755	HYDDDNUKNMMWBD-ZNNDDGORSA-N	587.754	2.005	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(OC(C)=O)cc1	408948081	KCZWHFKMZQHNKV-FOFBPULZSA-N	526.546	2.132	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@@]1(C)O	575232364	KYTWXIARANQMCA-HPCAZXDWSA-N	748.952	2.047	30	40	KEEB	in-vitro
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@]34C(=O)N(C)c3ccccc34)ccc2O1	24147300	QWZBXXRNGQQUOX-YRVHBCJASA-N	517.582	2.441	30	40	KEEB	
CCOc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1	98047945	IWHZPCZOONVCJY-AREMUKBSSA-N	585.679	2.017	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	408943445	FSVFKRQNWNUPQS-GSJUJJHQSA-N	556.576	2.181	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC)c1OC	408946057	IAUPASQGDQTYHQ-KIHCFLGDSA-N	528.562	2.224	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1	408948900	LBEAPYOOMLDWPM-NQVRMTPQSA-N	621.043	2.421	30	40	KEEB	
CCOc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C(=O)OC)[C@H](c2cccc(OCC)c2)C=3C#N)cc1	2260784	INZDEDXPYMWVMX-MUIAGPEESA-N	503.580	2.308	30	40	KEEB	
COc1cc([N+](=O)[O-])cc(/C=N/N(CCC(=O)NC(C)(C)C)C2=NS(=O)(=O)c3ccccc32)c1O	16322851	CTTZROXZSMSCQP-YDZHTSKRSA-N	503.537	2.399	30	40	KEEB	
N#CCN1CCC[C@H](c2cccc(Nc3nc(C(=O)N4CCN(C(=O)N5CCOCC5)CC4)cs3)n2)C1	585292964	BHWCOJAGIQRYCD-IBGZPJMESA-N	524.651	2.195	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@@H](CC(=O)N[C@@H](C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547138999	YCHJQPNNQKQGMO-NCKOQSHTSA-N	753.161	2.213	30	40	KEEB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC#CCN1CCN(CC#CCN3C(=O)[C@@H]4CC[C@@](C)(C3=O)C4(C)C)CC1)C2=O	100671861	BCGSWEBHVBXHSR-NHQBZNGBSA-N	548.728	2.233	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1	2282366	OIDRRZGSRQOKCB-FEYWKWKCSA-N	529.574	2.236	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5956171	BRAOXIPLUVPZOV-POHUPDAJSA-N	508.549	2.270	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC(C)=O)c(OC)c1	408946250	IHEZVKBGSGNSAN-GPSDBIQVSA-N	556.572	2.141	30	40	KEEB	
COc1cccc(/C=N/[C@@H]2[C@H](OC(C)=O)O[C@H](COS(=O)(=O)c3ccc(C)cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1	105023572	WSUXRXAACFEEDA-QSMXETSVSA-N	577.608	2.348	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c1C	8827241	OZEBMDYIRRQREK-QHCPKHFHSA-N	527.574	2.346	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1	9356640	ITUAHXUWNIZZKH-QFIPXVFZSA-N	518.563	2.461	30	40	KEEB	
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2O	8585925	DRYDKQOPVBDZMQ-MVOCVOKOSA-N	638.578	2.164	30	40	KEEB	in-vitro
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)[C@@H](C)[C@@H](O)[C@@]1(C)O	257198894	KYTWXIARANQMCA-QAFWWUHYSA-N	748.952	2.047	30	40	KEEB	
COc1c2c(cc3c1[C@@H](C#CCOc1ccc(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc1)N(C)CC3)OCO2	20113426	BPIXAXMKIBJQLE-OAQYLSRUSA-N	517.538	2.469	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(O)cc1O	408958876	XFKKQWBFUASCLM-ISVMPSLRSA-N	626.404	2.223	30	40	KEEB	
CCCCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046867	GVJKAISSZHZLLZ-SSEXGKCCSA-N	596.706	2.148	30	40	KEEB	
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1/N=N\C=N/Nc1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1OC	5496112	RQVAPAGNJURXBL-XJNJHOSPSA-N	534.441	2.153	30	40	KEEB	
CNc1nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1	100031588	SYCNIUHDZGIHLN-UHFFFAOYSA-N	628.636	2.224	30	40	KEEB	
CC(C)OC[C@H](O)Cn1c(N/N=C/C(Br)=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	6015150	CKJYQBGUVAJYCR-QYTSWLSZSA-N	505.373	2.043	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@H]1[C@H](O)[C@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	169477993	OYNIPTDPTUSUAY-KJICCAIYSA-N	542.496	2.011	30	40	KEEB	biogenic,in-vitro
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CCCN2CCOCC2)cc1	20309394	KGGTZUAOJYFBHJ-QHCPKHFHSA-N	510.543	2.488	30	40	KEEB	
O=C(COc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1I)N1CCOCC1	409403676	IXSMPUVSDHTCHG-KODHJQJWSA-N	661.234	2.274	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317725	FPMCNXCMDJMTDJ-UZXCTNKVSA-N	508.359	2.148	30	40	KEEB	
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1	103137386	LDYXXZZKZFKELF-UHFFFAOYSA-N	557.650	2.231	30	40	KEEB	
CO[C@@H]1[C@@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@@H](O)[C@@H](C)C[C@@H](CC=O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@@H](C)O2)[C@@H](N(C)C)[C@@H]1O	1078028279	IEMDOFXTVAPVLX-UTGVODJOSA-N	785.969	2.443	30	40	KEEB	
C=C1[C@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	97976806	FWGNBGZFRILNEL-VXKWHMMOSA-N	606.646	2.248	30	40	KEEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](C(C)(C)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)O[C@H]3CC[C@@]12C	1775964027	ONOBZRVXUMNVLN-QNMHKIICSA-N	913.156	2.134	30	40	KEEB	biogenic,in-vitro
NC(=O)COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1	702786	FTXADMSILUMNFW-JOCHJYFZSA-N	544.402	2.224	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102932056	WDUDWKVBKQFLKE-COUQNMRISA-N	557.600	2.198	30	40	KEEB	
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118921722	CESZBWDCEVHSEC-XDNMEAQZSA-N	517.623	2.087	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OCC(=O)O)cc1Br	408954142	PGSIGVPQVXMWRW-XOMNCNJFSA-N	651.467	2.442	30	40	KEEB	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc1)C1=C(N2)c2ccccc2C1=O	2595046	UNWLPAUQBAUSLD-QHCPKHFHSA-N	574.549	2.451	30	40	KEEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409113374	AMNDHYVSMGFSJC-RUZDIDTESA-N	568.677	2.305	30	40	KEEB	
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc(I)cc([N+](=O)[O-])c2O)cc1	1616061	JFEXLGYUCKKLPV-CAOOACKPSA-N	504.262	2.176	30	40	KEEB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	85907052	WKOIITGIIRRQGT-YKFFMEEISA-N	596.721	2.486	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1	9413862	LEFPRLLLLDGNGN-NRFANRHFSA-N	504.536	2.071	30	40	KEEB	
C=C1[C@]2(CCC(=O)OC2(C)C)C[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@]13O[C@]14C(=O)O[C@@](C)(C(=O)[C@@]12C(=O)O[C@H]4C)[C@H]3OC(C)=O	253390608	PUNXZEDIXYLVKL-JHADHQFVSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
CC1=C2C(=O)[C@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79204128	HYDDDNUKNMMWBD-MNKBUMEXSA-N	587.754	2.005	30	40	KEEB	biogenic
CCN1CCN(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)CC1	97993582	UICFQEOJRQOBMB-XONZCVNRSA-N	510.566	2.168	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NCc5ccccn5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	85907065	FXKBKGGAPRRXSX-XUZDPUINSA-N	525.646	2.297	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@]3(COS(=O)(=O)c4ccc(C)cc4)OC(C)(C)O[C@@H]3[C@@H]2O)cc1	72399773	RWMGKKKBAWACGX-GNXKAVGDSA-N	528.601	2.022	30	40	KEEB	
Cc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	104174129	XTTRAPCVQYWWHN-SBXHHDGASA-N	527.643	2.389	30	40	KEEB	
COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)cc2)nc(OC)n1	6142699	AQNLNMXBXZVZQS-UHFFFAOYSA-N	599.651	2.365	30	40	KEEB	
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N1CCC[C@@H]1C(=O)O	150344866	OBKXXOQKGPZOES-CQBNHGLPSA-N	658.789	2.329	30	40	KEEB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	245224510	XQCGNURMLWFQJR-VWUYMOLMSA-N	548.673	2.433	30	40	KEEB	
C=C(C)COc1ccc([C@@H](CC(=O)OC)c2oc(CN3CCN(C=O)CC3)cc(=O)c2O)cc1OC	524731826	LYBLECXHQJXBKY-HXUWFJFHSA-N	500.548	2.278	30	40	KEEB	biogenic
C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccccc1F	103064363	STCHVYYOCDCSII-UHFFFAOYSA-N	564.599	2.372	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1OCC#N	408957202	SJQMWGFGZQLRDG-RFZOYCFOSA-N	523.546	2.109	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(OC)c1	97954861	YCFPRNUIQZONIR-HSZRJFAPSA-N	530.599	2.331	30	40	KEEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046822	XRFADWMYTPWEQF-NDEPHWFRSA-N	552.653	2.154	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	96061888	RXZBMPWDPOLZGW-HEWSMUCTSA-N	837.058	2.210	30	40	KEEB	world
Cc1cc(C(=O)Oc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)ccc1[N+](=O)[O-]	100506959	IZICKELCDDWMSB-WPWMEQJKSA-N	548.560	2.427	30	40	KEEB	
COC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1	36556630	RJQULRSKQZVKEF-UQVYQRLJSA-N	518.588	2.155	30	40	KEEB	
Cn1ccnc1Sc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(CCO)CC2)cc1[N+](=O)[O-]	103767076	WEPRWUJUTOMRHN-PCLIKHOPSA-N	590.644	2.132	30	40	KEEB	
COC1=C(OC)[C@@H]([C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)OC1=O	68562245	SZCDDOBRSONPHY-RBUKOAKNSA-N	512.558	2.213	30	40	KEEB	
C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(CC(=O)OC)c1=O	103071584	YWAHRGDNZMUZHK-UHFFFAOYSA-N	590.662	2.453	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)cc1	102560650	CIJBKHQPTFSEGT-ZHHPLPSFSA-N	531.606	2.220	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(/N=C2\SCCCN2c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1	102892693	JCEXUWHUKLCIOS-BZZOAKBMSA-N	514.633	2.048	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)O)c(I)c2)C(=O)NC1=S	408902108	GGSPNOZHMXGSFG-RUDMXATFSA-N	598.156	2.172	30	40	KEEB	
C=C(C)[C@@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	2037931658	WOOPUJXMROOOPP-USLASRFDSA-N	897.109	2.229	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C)cc1	102884855	VSCJFTBUCCSDFQ-MOBKVPTQSA-N	500.573	2.084	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)OCC)c(I)c2)C(=O)NC1=S	408902876	MTQNULIVCNOKRB-XYOKQWHBSA-N	500.314	2.046	30	40	KEEB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@H](C)[C@@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1	1534684206	NSFWWJIQIKBZMJ-CBRIVBQSSA-N	532.630	2.393	30	40	KEEB	
COC(=O)[C@]1(O)C2=C(C(=O)[C@H](C)C[C@H](C)CC(C)=C[C@H](C)CC[C@H]3O[C@H]2[C@H](C)[C@H](O)[C@@H]3C)[C@H](O)C(=O)[C@@]1(C)O	1772591208	LLGFOLGDQFBWGQ-PUMMGLKZSA-N	550.689	2.280	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC)c1OCC#N	408959168	YOEYYVLXOHAIQP-UBMRCYBJSA-N	553.572	2.118	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1O	504095909	ACTOXUHEUCPTEW-MELLYVACSA-N	843.065	2.325	30	40	KEEB	
Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)cc1S(=O)(=O)N1CCOCC1	12911364	KDUMZIGQMYGKEF-QGZVFWFLSA-N	514.560	2.052	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875656	QCDZNIUVQDAWHD-OONGNWCQSA-N	546.696	2.391	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	102883265	YHVLKSOMQKGIMN-PGVNHDJNSA-N	512.519	2.080	30	40	KEEB	
CN1CCC(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1	103766488	DBBNAGAVXMEABV-UHFFFAOYSA-N	530.607	2.324	30	40	KEEB	
C=C1C[C@H]2[C@@](C)([C@@H]3C(=O)O[C@](C)(C(=O)OC)C(=O)[C@@]13C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H](O)[C@]12C	248330054	FFXYBQSGDXRLHS-ARKMPFFJSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1ccccc1	70691951	BAYQCOHYDZEZIK-NQFLDKDMSA-N	625.715	2.416	30	40	KEEB	biogenic
CC[N+](CC)(CCOc1ccc2c(c1)C(=O)c1cc(OCC[N+](CC)(CC)CC(N)=O)ccc1-2)CC(N)=O	9329297	UJYXNBOFPRGCQG-UHFFFAOYSA-P	526.678	2.339	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c2c1OCO2	85412599	RYJFNAWUWQUVCP-SFHVURJKSA-N	502.545	2.405	30	40	KEEB	
C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	409113381	AMNDHYVSMGFSJC-VWLOTQADSA-N	568.677	2.305	30	40	KEEB	
CCOc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1Oc1ccc([N+](=O)[O-])cn1	409197042	UPWSLVSNGIQROP-YUMHPJSZSA-N	551.564	2.485	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	408943451	FSVFKRQNWNUPQS-ZOLLBZJMSA-N	556.576	2.181	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408948916	LBGSMBJERXFJLP-WGDWGZJWSA-N	573.559	2.133	30	40	KEEB	
C/C(=C\[C@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	2061000511	OUICDHFBMJCDTL-NLZPRBPVSA-N	652.866	2.283	30	40	KEEB	
COC(=O)C[C@H]1SC(=O)N/C1=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1	13688358	NSZWILXHNFACMM-GHMZBOCLSA-N	514.383	2.067	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	79216795	IANDTMRUEFTZQG-NQFLDKDMSA-N	670.712	2.324	30	40	KEEB	biogenic
COC(=O)[C@@H]1C(=O)/C(=C/NCCCCCCN/C=C2\C(=O)CC(C)(C)[C@H](C(=O)OC)C2=O)C(=O)CC1(C)C	100741155	RLQGKUISCABMBZ-IMWRMMLDSA-N	532.634	2.208	30	40	KEEB	biogenic
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957174	SJBMANHEXHBOPJ-IGSAFADJSA-N	552.584	2.228	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(NC(C)=O)cc1	408958889	XGMOHCITHAAQBJ-ZOLLBZJMSA-N	525.562	2.166	30	40	KEEB	
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)[C@H](C)Oc2ccc(C#N)cc2)CC1	12523371	SFEMLKRZZWAMFU-FQEVSTJZSA-N	527.647	2.127	30	40	KEEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	16735609	CYGDXXYQWKWWQE-OAQYLSRUSA-N	516.576	2.375	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)O	70692232	OZYIJRBLAGRFLQ-IJJOSXPWSA-N	559.656	2.188	30	40	KEEB	biogenic
CC(=O)O[C@H]1[C@H](OC(C)=O)CO[C@@H](SC2=C(S[C@@H]3OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(=O)c3ccccc3C2=O)[C@@H]1OC(C)=O	85911550	JOJYOGRKKXMLGS-WWNLRZAASA-N	738.742	2.046	30	40	KEEB	biogenic
COC(=O)c1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1	8817927	BHKRKAXKZYMIJQ-QFIPXVFZSA-N	525.558	2.115	30	40	KEEB	
C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O)C(C)=C1[C@@H](O)[C@@H]2OC(=O)c1ccccc1	70454698	ZJRNRUMUBVLZKF-SRXXEXFGSA-N	572.651	2.232	30	40	KEEB	biogenic,in-vitro
O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	100837204	YGUMOQFSRDFDAG-QHCPKHFHSA-N	561.682	2.070	30	40	KEEB	
C=C1C[C@H]2[C@@]3(C)[C@@H](O)CC(=O)C(C)(C)[C@H]3[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]12C	67911308	FFXYBQSGDXRLHS-KHBMOINKSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
Cc1ccc(S(=O)(=O)N(CCS(=O)(=O)OCC(F)(F)C(F)F)CCS(=O)(=O)OCC(F)(F)C(F)F)cc1	100484833	ALQIXPSYDYICPK-UHFFFAOYSA-N	615.539	2.479	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c1C	102483482	BSNCVOJKEWBKBG-COUQNMRISA-N	527.574	2.189	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)cc1	102560640	CIJBKHQPTFSEGT-AYWGPLOBSA-N	531.606	2.220	30	40	KEEB	
C=CCN1C(=O)NC(=O)[C@](Cc2ccc(OCC)cc2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	2139367	BJDYOFQDYUDJKZ-CJYOKPGZSA-N	504.587	2.160	30	40	KEEB	biogenic
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@@H]1[C@H](O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	100898641	OYNIPTDPTUSUAY-CXUMVZHESA-N	542.496	2.011	30	40	KEEB	in-vitro
NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)cc1	103057841	RBSQHQNSBYCGKV-UHFFFAOYSA-N	563.617	2.456	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118935024	KLVFPBQMCBMXDO-BMFYBGAUSA-N	582.694	2.397	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919023	BMCVYNOMKBSIRU-COQFQCOUSA-N	571.715	2.389	30	40	KEEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1	20290306	FAAGDABEUCRVEA-HSZRJFAPSA-N	508.527	2.155	30	40	KEEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046799	SYNHBLKCKKKIHN-PMERELPUSA-N	596.706	2.148	30	40	KEEB	
C=CCN1C(=O)[C@]2(NC(=O)C(O)=C2C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21	16742420	IZMJBBNLPHRTPP-SANMLTNESA-N	507.568	2.414	30	40	KEEB	
C/C(=N\N=C\c1cc(I)cc(I)c1O)c1nnn(-c2nonc2N)c1C	100056648	IZAORTVFUQBFLK-CKVFWYFXSA-N	578.112	2.299	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(I)o1	408944036	GCZYUHWQSUAPHD-YNKHZBRRSA-N	584.367	2.405	30	40	KEEB	
COC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1	36556632	RJQULRSKQZVKEF-YCSATZRHSA-N	518.588	2.155	30	40	KEEB	
COc1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Br)cc2)cc1	100680409	QTCDTTVKLTWWCB-FVWOBLMASA-N	543.378	2.080	30	40	KEEB	
CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](N(C)C(C)=O)[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104090102	HTPYQNQCFQIXMA-GSPCLOLRSA-N	527.617	2.001	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1	70691955	BAYQCOHYDZEZIK-FLBCVIDLSA-N	625.715	2.416	30	40	KEEB	biogenic
C=CCOc1c(I)cc(C=C2C(=O)NC(=O)NC2=O)cc1I	98045127	LRTZSDKADJKYIP-UHFFFAOYSA-N	524.052	2.210	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	33355385	BCYAEBMFYUMUKE-DEOSSOPVSA-N	620.522	2.381	30	40	KEEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)COC)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1OCC	101311275	KVHGWWHZOLTQKZ-RYCSHZHPSA-N	507.428	2.494	30	40	KEEB	
CCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OC1[C@@H](O)[C@@H](O)C(OP(=O)(O)O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCC	150339861	HSKNPGLBSRRIJC-ZYZXRLFHSA-N	694.645	2.380	30	40	KEEB	in-vitro
CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)[C@@H]2C(=NNS(=O)(=O)c3ccc(C)cc3)[C@H]3[C@H](C(=O)OCC)[C@H](C(=O)OCC)[C@@H]3C(=NNS(=O)(=O)c3ccc(C)cc3)[C@H]12	156189714	BJTOMTVLFGSLED-ZKOFTHTHSA-N	788.898	2.495	30	40	KEEB	
Cc1ccc(-n2ncc3c(SCC(=O)N=C4C=CC(=[S@](=O)(O)N5CCOCC5)C=C4)ncnc32)cc1	409416059	OBKJSBXRBOURIU-UHFFFAOYSA-N	524.628	2.487	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)c1	98047961	YIYZJXRDFXKMFF-HSZRJFAPSA-N	531.606	2.377	30	40	KEEB	
O=C(Oc1cccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1)c1ccc([N+](=O)[O-])cc1	408724259	JBRZUOKDTKCAKW-YZSQISJMSA-N	534.533	2.118	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OCC(=O)O)cc1Br	408954137	PGSIGVPQVXMWRW-GYXVIUQHSA-N	651.467	2.442	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1ccc(OCC(N)=O)cc1)C2=O	524730214	ZZDYQTIRSVXTKQ-DGPUCJDLSA-N	637.045	2.053	30	40	KEEB	biogenic
CC[C@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@@]1(C)O	85893872	KYTWXIARANQMCA-FDPFJYORSA-N	748.952	2.047	30	40	KEEB	
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N1CCC[C@H]1C(=O)O	150344868	OBKXXOQKGPZOES-DWVSQFOSSA-N	658.789	2.329	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C)cc1	9373689	SLCDAUKUOGQPCO-JOCHJYFZSA-N	500.573	2.241	30	40	KEEB	
O=C(O)COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311721	DMOSJUMDMUXBJZ-LSCXWSGYSA-N	520.429	2.427	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccs2)cc1	102926162	RPJUMAUCSPIONY-JBCNATCCSA-N	519.645	2.142	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@@]1(C)O	242649234	RXZBMPWDPOLZGW-GAYTUTGFSA-N	837.058	2.210	30	40	KEEB	
O=S(=O)(Oc1ccccc1/C=N/Nc1cc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccccc1	408971189	DDEBATNOOSRHIP-LGUFXXKBSA-N	524.603	2.364	30	40	KEEB	
CSCC[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	118917723	ZRPCKLCAFOLTCA-VUEPXDBOSA-N	591.723	2.211	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCn3c(=O)c(=O)[nH]c4ccccc43)C[C@H]1C)C2=O	604406205	ZDHKDUZJYJLPDB-SRGMZFCMSA-N	525.945	2.457	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	408948919	LDGDMQCUZDAORH-IISZPMRSSA-N	543.533	2.124	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	38140399	WOCISCLELJFLKG-DEOSSOPVSA-N	540.569	2.394	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@]3(COS(=O)(=O)c4ccc(C)cc4)OC(C)(C)O[C@@H]3[C@H]2O)cc1	72399770	RWMGKKKBAWACGX-SRUXOGRHSA-N	528.601	2.022	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21	100875708	XHNMIXMQKBJVSC-LDWQWDCMSA-N	532.669	2.288	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@H](O)C[C@@H]1C(=O)O	70692046	RUEIZZQOIROXMJ-UNJDHERGSA-N	559.656	2.188	30	40	KEEB	biogenic
Cc1c(CC(=O)NCCSCCC(=S)ON2C(=O)C[C@H](S(=O)(=O)O)C2=O)c(=O)oc2cc(N=[N+]=[N-])ccc12	100102013	OKCLAHRGFNTMAS-INIZCTEOSA-N	583.626	2.100	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	150344981	PUAPOUIPTCFMNT-VEQNYANDSA-N	657.717	2.099	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O	245205015	KYTWXIARANQMCA-XCPGDXPPSA-N	748.952	2.047	30	40	KEEB	
CCc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1	16742212	KMFLGXZJWXGJNP-XMMPIXPASA-N	527.643	2.410	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(C)cc1	102884853	VSCJFTBUCCSDFQ-HOGKFDNTSA-N	500.573	2.084	30	40	KEEB	
CCCOc1ccc(N2C(=O)C[C@H](N3CCN(CC/N=C/C4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1	101477505	PYZGAFABTPGNIH-LNVYCVNDSA-N	510.635	2.370	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2cc(S(N)(=O)=O)ccc21	100875706	XHNMIXMQKBJVSC-IEQXMEILSA-N	532.669	2.288	30	40	KEEB	
C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@]1(O)[C@@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	95100268	OICJJPULPAOUPO-ZQYDZWOBSA-N	534.602	2.436	30	40	KEEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046836	YVTCOIZDQOUTIN-SSEXGKCCSA-N	545.592	2.445	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118921967	FWCFPYAVALXTLQ-HQOAFZAESA-N	637.726	2.495	30	40	KEEB	
CCOC(=O)COc1cc(/C=N\Nc2nc(=Nc3ccccc3)nc(N3CCOCC3)[nH]2)ccc1OC	409206982	XYJVZPUFRZAELG-QQXSKIMKSA-N	507.551	2.270	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1	104374479	ORNJEIYICYPRDK-YHINDDMVSA-N	528.601	2.020	30	40	KEEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccc(F)cc1	8435514	FWCLCUHJWXGDGY-WPWMEQJKSA-N	507.526	2.349	30	40	KEEB	
CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(OC)c(OCC(N)=O)c([N+](=O)[O-])c1	409307744	WBAUQMMCOFNZIJ-UHFFFAOYSA-N	504.297	2.385	30	40	KEEB	
CCOC(=O)C/C(=N/Nc1cc(N/N=C(\CC(=O)OCC)C(=O)OCC)c([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OCC	59662126	HIOBMGDKPILTSQ-WFOJNGAISA-N	568.496	2.071	30	40	KEEB	
CC(C)C1=CC(=O)[C@](C)([C@@H]2[C@@H](O)C[C@]3(C)[C@H]4CC=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)C5(C)C)[C@@]4(C)C(=O)C[C@@]23C)O1	2061000828	WPXIIGGPWPYUSJ-PBYFEFSLSA-N	762.934	2.315	30	40	KEEB	
C=C1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H]([C@H](C)[C@H](O)CCCCCCCCC)OC1=O	2332243424	UXKCXDWPRRDYKU-UPUWNHAWSA-N	539.714	2.322	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@@H]1[C@@H](O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	100898637	OYNIPTDPTUSUAY-WFVGXQFDSA-N	542.496	2.011	30	40	KEEB	in-vitro
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(Cl)cc1	102963609	WBMGYBHOVQWDME-HQTVGPENSA-N	561.010	2.105	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)O)c(I)c1	408943566	FWKOVHOXJGPUEN-QTEBJIRVSA-N	668.441	2.275	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958452	VVNIGVXGTAWOOC-HBHDSJDFSA-N	600.625	2.158	30	40	KEEB	
N#CCCOC[C@H](OCCC#N)[C@@H](OCCC#N)[C@H](OCCC#N)[C@@H](COCCC#N)OCCC#N	4915613	SIPCQLNTTKBLSF-UEQSERJNSA-N	500.556	2.042	30	40	KEEB	
COc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])cc(I)c2O)c(OC)c1OC	5810033	TTZBSGVMEPMXJY-LSCVHKIXSA-N	537.288	2.243	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79216671	WOWOEXHOMMENAS-TYPIYHRMSA-N	587.754	2.210	30	40	KEEB	biogenic
O=C1C(=C2N[C@@H](C(=O)O)[C@@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@@H]23)C(=O)c2ccccc21	100910800	LTHAYVRJWBEWNN-CKEIUWERSA-N	548.861	2.157	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118923796	BKFYIZLRTHFTNH-XOBKVNEOSA-N	516.679	2.102	30	40	KEEB	
CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5537036	WAAMLROLJKIBIZ-OOYIDZMOSA-N	520.560	2.224	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cc1	102552348	HFWICRKQNUQMMJ-ZHHPLPSFSA-N	531.606	2.220	30	40	KEEB	
CC[C@H](C)[C@H](N)C(=O)[C@@](C=O)([C@H](C(=O)OCc1ccccc1)C(C)C)N(C(=O)[C@H](C)N)C(=O)[C@@H](N)CCC(=O)OC(C)(C)C	299754563	RENXKPLWNNMCST-HIHYEESJSA-N	618.772	2.034	30	40	KEEB	
CO[C@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H]1OC	118931989	BGGIZHKHJBQRTI-KXASTPQBSA-N	578.699	2.058	30	40	KEEB	
C=C1[C@]2(CCC(=O)OC2(C)C)C[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@]13O[C@]14C(=O)O[C@@](C)(C(=O)[C@@]12C(=O)O[C@H]4C)[C@@H]3OC(C)=O	253390607	PUNXZEDIXYLVKL-AXVVLXOUSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
COCCCn1c(=O)/c(=C/c2ccc(NC(C)=O)cc2)s/c1=C(C#N)/C(O)=N/c1ccc(C(=O)O)cc1	96400394	LUECLIYYDKEDEK-BEYXMZBPSA-N	520.567	2.394	30	40	KEEB	
C#CCOc1cccc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408957355	STMUPXHEWGLYGY-CLTIBCLCSA-N	522.558	2.219	30	40	KEEB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N/NC3=NC(=O)CS3)N(Cc3ccco3)C2=O)cc1	32509101	PQHTWIOCCFMUAF-RAFCBBKXSA-N	515.573	2.419	30	40	KEEB	
CC(C)=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc(NC(=O)C[C@H]3S/C(=N/N=C(C)C)NC3=O)c2)S1	100951612	VHYALSHPAXDBQK-HZPDHXFCSA-N	530.636	2.311	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC[C@H]1CCCO1	70692003	VXZATIZJXWWKRJ-ZKAIWDGKSA-N	545.673	2.408	30	40	KEEB	biogenic
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@@H]2O)cc1	108853416	WKKHVMZOYIFZSA-XUVXKRRUSA-N	509.544	2.441	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	408948932	LDGDMQCUZDAORH-PXRRYSCDSA-N	543.533	2.124	30	40	KEEB	
CC(=O)O[C@@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)OCO[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(C)=O	104182325	JJJOKCGHKBDRTF-ZFFYZDHPSA-N	586.637	2.019	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	118921975	DTUAOVYKPDCWLH-OJTXFDRISA-N	612.720	2.191	30	40	KEEB	
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)nnc12	103126677	HVECCMAEUNSXBA-UHFFFAOYSA-N	554.654	2.290	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1	104374486	ORNJEIYICYPRDK-CTWRKMMKSA-N	528.601	2.020	30	40	KEEB	
C=C1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H]([C@@H](C)[C@@H](O)CCCCCCCCC)OC1=O	2332243422	UXKCXDWPRRDYKU-GPWCJDNRSA-N	539.714	2.322	30	40	KEEB	
COc1ccc(NC(=O)C[C@H]2S/C(=N\N=C(/C)c3ccc(S(=O)(=O)N4CCOCC4)cc3)NC2=O)cc1	102922471	FVCWIVJMKDPURZ-BOOTZKDASA-N	545.643	2.057	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	301054321	LPLVUJXQOOQHMX-YLDIJXOBSA-N	822.942	2.246	30	40	KEEB	
O=c1c(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(Sc2nnnn2-c2ccccc2)nc2ccccn12	97984251	RJDUHPLORSXCMM-OEAKJJBVSA-N	549.554	2.042	30	40	KEEB	
Cc1ccc2c(c1)/C(=N\Nc1nc3c(c(=O)[nH]c(=O)n3C)n1C[C@@H](O)COc1ccc3ccccc3c1)C(=O)N2	97968789	OMEZVLVOKGUKME-GOSISDBHSA-N	539.552	2.093	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	102880137	ZUNKCYURBAHHON-COUQNMRISA-N	527.574	2.189	30	40	KEEB	
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)O	118921710	LNEUAHGGGCFWPJ-FUYLZTGYSA-N	561.672	2.338	30	40	KEEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)O	408954399	PLTKGYHUFPJMQC-LBQZEGPRSA-N	586.598	2.069	30	40	KEEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874694	WPNJTFRGDURBPI-GRITWOACSA-N	550.684	2.075	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	8897383	TXRSMIDTYNBPDM-NRFANRHFSA-N	512.519	2.237	30	40	KEEB	
O=C(c1ccc(/N=C2\N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15936709	YBDNOVGGGQMCRY-WOJBJXKFSA-N	501.590	2.047	30	40	KEEB	
C=C1C[C@H]2[C@@]3(C)[C@@H](O)CC(=O)C(C)(C)[C@@H]3[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]12C	67911312	FFXYBQSGDXRLHS-PSAUQJDHSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
CC(=O)c1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)/N=C3\CCCCCN3)cc2)c1	13026682	MYKRJGLXYVMSEU-UHFFFAOYSA-N	520.633	2.447	30	40	KEEB	
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	102518455	DVZDRFUMCKHWHX-HOGKFDNTSA-N	534.034	2.344	30	40	KEEB	
C=CCOC(=O)[C@@H]1O[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)[C@H](O)[C@H](O)[C@H]1O	35643979	WNQJKISLWOVAQH-GJTYKATRSA-N	512.342	2.360	30	40	KEEB	in-vitro
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	97971015	LGRQVXRCCIAMHX-QHCPKHFHSA-N	557.600	2.354	30	40	KEEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)/C=C/C=C(\C)C(=O)NC(=C(O)C1=O)C2=O	105445569	JBGGGJXLNZQZKM-UZMYXCPWSA-N	576.643	2.294	30	40	KEEB	biogenic,in-vitro
COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118922035	IZTYADBPMXUWSF-VUVNLHKYSA-N	571.667	2.053	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79216663	HYDDDNUKNMMWBD-SYDOOUHVSA-N	587.754	2.005	30	40	KEEB	biogenic
C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O	135629778	RAMCBZHYSSVMCY-DFZGRYTLSA-N	572.699	2.175	30	40	KEEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c3c(c2)OCO3)cc1OC	85413311	GZVQFINOTCQMEJ-QHCPKHFHSA-N	526.542	2.352	30	40	KEEB	
CC(=O)Nc1ccc(/C=N/NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C/c3ccc(NC(C)=O)cc3)CC2)cc1	22584525	YIJLECZILADZFW-WXGDAXOSSA-N	638.868	2.297	30	40	KEEB	
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@]34C(=O)N(C)c3ccccc34)ccc2O1	24147288	QWZBXXRNGQQUOX-LDLUVENISA-N	517.582	2.441	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Cl)c1	102890886	MVGLPGQDOPMHGH-JBCNATCCSA-N	520.991	2.429	30	40	KEEB	
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1	255966189	CAKDFKUXFMLCAR-NOOUDVCYSA-N	836.969	2.334	30	40	KEEB	biogenic,in-vitro
COc1cc([C@H](CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)C2=C(O)C[C@@H](C)[C@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)C2=O)ccc1O	1547208624	WVVDLUMWUYBKPL-OBKYHSNXSA-N	666.101	2.254	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1c[nH]cn1	118920822	HMUZKWHPGFTJTQ-BONFRUADSA-N	555.672	2.195	30	40	KEEB	
COc1c(C(=O)O)ccc(C(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(C)=O)c1OC	150405249	OEZGZXIKQJSCIL-UHFFFAOYSA-N	768.862	2.109	30	40	KEEB	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C)C(=O)N[C@H](CCSC)C(=O)O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118920540	ROTCNZAVWSFMFU-STISBDRWSA-N	603.782	2.484	30	40	KEEB	
C=C1C[C@@H]2[C@@]3(C)[C@@H]([C@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C)C(C)(C)OC(=O)C[C@H]3OC(C)=O	247977116	VPQXGRQIXIAIQO-QEBKUNEXSA-N	534.602	2.292	30	40	KEEB	biogenic,in-vitro
CCOC(=O)COc1cccc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408942087	DMFIWHJJDOLTPD-BQPLXCAASA-N	570.599	2.149	30	40	KEEB	
CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N/N=C2\CC[C@]4(O)[C@@H]6Cc7ccc(O)c8c7[C@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@@H]1C5	84586476	WKXKOQQVFYOJBC-VZRREZECSA-N	598.700	2.163	30	40	KEEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCN2CCOCC2)cc1	8817928	BHKRKAXKZYMIJQ-JOCHJYFZSA-N	525.558	2.115	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	97954931	CLMRRFBYGCOITI-OAQYLSRUSA-N	534.587	2.187	30	40	KEEB	
CCCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046793	PNZQDQAZEJHKAX-PMERELPUSA-N	596.706	2.148	30	40	KEEB	
CC(C)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(NC(=O)C[C@H]3S/C(=N/N=C(C)C)NC3=O)c2)S1	100951609	VHYALSHPAXDBQK-IYBDPMFKSA-N	530.636	2.311	30	40	KEEB	
COc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102856386	XMXUTXNRVNCZSR-SBXHHDGASA-N	543.642	2.090	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118925459	BKFYIZLRTHFTNH-DRILXGGJSA-N	516.679	2.102	30	40	KEEB	
CN/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc([C@@H](O)/C(=N/NC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	150436049	JNUXSNRWICAODT-WOYSRKGQSA-N	628.562	2.115	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C([C@H](CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c3ccc4c(c3)OCO4)=C(O)C[C@H]1C)C2=O	1547206039	MIFSASIOHTUMBY-RCIJGASGSA-N	664.085	2.269	30	40	KEEB	
C=C1C(=O)[C@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@]1(C=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	100359542	PYYXKWSPHKCMGX-PNKVURTKSA-N	532.586	2.500	30	40	KEEB	
CCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OCC(=O)OC)[C@@H]1NC(C)=O	245266096	IKWOZRCTQUEKNN-SQDZQZBLSA-N	503.589	2.036	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO[P@@](=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@H]1O	118930452	UCEAXHQPVSNSCG-JOWLICEHSA-N	635.651	2.296	30	40	KEEB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	252429434	OQUGHBWMRWLNMR-KAYPBOJYSA-N	543.525	2.211	30	40	KEEB	
COc1cc([C@H](CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)C2=C(O)C[C@@H](C)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)C2=O)ccc1O	1547208625	WVVDLUMWUYBKPL-RCPJVNJWSA-N	666.101	2.254	30	40	KEEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@H](CO)C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70692071	BKCAFXZIJWHGQX-TVOMAKTOSA-N	575.655	2.274	30	40	KEEB	biogenic
C=CCN(C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	13135854	HCTUMOINXPSMNJ-INIZCTEOSA-N	503.562	2.403	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	118917069	XQCGNURMLWFQJR-XCQBZZOCSA-N	548.673	2.433	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	408943525	FVTAKLNFFMBSIQ-IXOKJCISSA-N	563.951	2.474	30	40	KEEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408956945	RXIZMFCMKDFMLU-ASZYGDGUSA-N	522.558	2.219	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1	102885475	MUGIADZICTZCON-HOGKFDNTSA-N	500.573	2.166	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)c(OC)c1	408954374	PLDUOXYMAUKOKG-LAEJIHLVSA-N	553.572	2.118	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79216664	HYDDDNUKNMMWBD-NOXVUVBJSA-N	587.754	2.005	30	40	KEEB	biogenic
CCN1C[C@@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]32)[C@@H]14)[C@@]5(O)[C@@H]6OC	249688689	ILNXJLNWARWHMD-LVYKMYHASA-N	600.709	2.153	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1	408954092	PESNBYPXWBTOCT-JGPFBCKMSA-N	698.467	2.284	30	40	KEEB	
COc1c(/C=C/C(=O)c2c(O)[nH]c(=O)n(C)c2=O)c(CCN(C)C(=O)c2ccccc2Cl)cc2c1OCO2	97968169	DGOUWLPBTXBXJC-CMDGGOBGSA-N	541.944	2.381	30	40	KEEB	
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C/c2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccccc1F	102962945	SRCQNZHRIBSPDF-WPEHYEBFSA-N	546.546	2.008	30	40	KEEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257198598	DCUGDHFMGSIDFG-PRQSENOVSA-N	591.742	2.298	30	40	KEEB	
CCOC(=O)c1ccc(/N=C2\S/C(=C/C(=O)OC)C(=O)N2CCc2ccc(S(N)(=O)=O)cc2)cc1	9850813	KVHPWTYOQFLWDY-ZFKOLIOCSA-N	517.585	2.373	30	40	KEEB	
CCOc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCOC)cc1OC	102866766	CEXBFZKBZNFBKY-MOBKVPTQSA-N	518.588	2.412	30	40	KEEB	
CC(=O)O[C@@H]1[C@@H]2O[C@H]2[C@@](C)(O)C(=O)[C@@H](C)CC=C[C@H]2[C@H](O)C(C)=C(C)[C@H]3[C@H](Cc4ccccc4)NC(=O)[C@]123	1078028818	ZOSGFLUFAVFHCM-KZKOYRHVSA-N	523.626	2.272	30	40	KEEB	biogenic
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C1/C(=O)Nc3ccc(Br)cc31)n2C[C@@H](O)COc1ccc(Br)cc1	97958610	PJYAPBCMKRCFDJ-CYBMUJFWSA-N	633.257	2.157	30	40	KEEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)COC)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1OCC	101311277	KVHGWWHZOLTQKZ-CULMNYCNSA-N	507.428	2.494	30	40	KEEB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	245224508	XQCGNURMLWFQJR-JBNHJTLNSA-N	548.673	2.433	30	40	KEEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8789661	CESZBWDCEVHSEC-OUIJYYBFSA-N	517.623	2.087	30	40	KEEB	
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccccc1)c1ccc(Br)cc1	97967989	WXBIQDQQIAOKRC-HDFIIFABSA-N	527.379	2.462	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N(C)C)cc1	408945803	HUCVQHWFJMEZEK-BSEHWYNJSA-N	511.579	2.273	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	408948457	KHJIDQOKMOQJSX-KTZPYHGSSA-N	527.534	2.424	30	40	KEEB	
CCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OCC(=O)OC)[C@H]1NC(C)=O	247841342	OCKSWIMTTYRVGW-PRDVQWLOSA-N	517.616	2.426	30	40	KEEB	biogenic
CCN1C[C@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@H]6OC	1559556396	ILNXJLNWARWHMD-SYHBLHGVSA-N	600.709	2.153	30	40	KEEB	
COC(=O)[C@]1(O)C2=C(C(=O)[C@H](C)C[C@H](C)CC(C)=C[C@H](C)CC[C@H]3O[C@H]2[C@H](C)[C@H](O)[C@@H]3C)[C@@H](O)C(=O)[C@@]1(C)O	1772591205	LLGFOLGDQFBWGQ-BUIOSPLTSA-N	550.689	2.280	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(OC(C)=O)cc1	408948077	KCZWHFKMZQHNKV-AHEQEGGASA-N	526.546	2.132	30	40	KEEB	
OCC(CO)(CO)Nc1nc(N/N=C/c2ccc(Cl)cc2)nc(N/N=C/c2ccc(Cl)cc2)n1	35958649	WPLAIQKPIPEMEL-HGELYGIESA-N	505.366	2.198	30	40	KEEB	
CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccccc1	60059861	WFUSENHCPDYHMT-IARZGTGTSA-N	599.736	2.346	30	40	KEEB	
CCCCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046869	YSVZWULEFYDYBX-MUUNZHRXSA-N	554.669	2.378	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	17208547	ANXSREHWOYLXOL-OAQYLSRUSA-N	504.561	2.179	30	40	KEEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c2ccccc21	97956795	RIYOJWFGZKXEAU-CLYVBNDRSA-N	539.610	2.215	30	40	KEEB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2207007	SRSIIWWJRGRROL-NVAAOBHVSA-N	524.002	2.261	30	40	KEEB	
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@]34C(=O)N(C)c3ccccc34)ccc2O1	24147325	DAAGQVQKARDOGO-UULLZXFKSA-N	503.555	2.051	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	79216806	XGPZAUVGPYBEHV-ZIPYWAHQSA-N	682.723	2.403	30	40	KEEB	biogenic
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)cc1OC	100255220	HRTLVRGDTSLKTK-JOCHJYFZSA-N	556.568	2.360	30	40	KEEB	
CC(=O)OCc1cc(/C(C)=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1OC(C)=O	102937095	WEPCIOFJIWYSKB-BUVRLJJBSA-N	534.547	2.440	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c([N+](=O)[O-])c1	408948923	LDGDMQCUZDAORH-JDUYEFSYSA-N	543.533	2.124	30	40	KEEB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CC#CCN1CCN(CC#CCN3C(=O)[C@@H]4CC[C@](C)(C3=O)C4(C)C)CC1)C2=O	102666843	BCGSWEBHVBXHSR-IVRHQOPMSA-N	548.728	2.233	30	40	KEEB	
COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118922029	ZGNCRRCTXKKIPY-WNFHJGQBSA-N	573.683	2.277	30	40	KEEB	
Cc1c(Cl)ccc2c1NC(=O)[C@@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2207005	SRSIIWWJRGRROL-POTSHQGWSA-N	524.002	2.261	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)c1	16806210	UFKFGPPGSMAUBO-QHCPKHFHSA-N	513.616	2.238	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)O)c(I)c1	408943558	FWKOVHOXJGPUEN-OQZYCAJPSA-N	668.441	2.275	30	40	KEEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)O	408954403	PLTKGYHUFPJMQC-LCPQEUCBSA-N	586.598	2.069	30	40	KEEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046834	WPOSWTFRANGWCO-GDLZYMKVSA-N	531.565	2.055	30	40	KEEB	
Cn1cnnc1Sc1ccc(/C=N/Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-]	100269310	ZXKFPBUVGPNGPF-WYMPLXKRSA-N	589.616	2.115	30	40	KEEB	
C[C@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1	1614467817	BKFYIZLRTHFTNH-WVHRGTHISA-N	516.679	2.102	30	40	KEEB	
COC(=O)C[C@@H]1SC(=O)N/C1=N/N=C1\NC(=O)[C@@H](CC(=O)Nc2ccc(Br)cc2)S1	9428437	NSZWILXHNFACMM-WDEREUQCSA-N	514.383	2.067	30	40	KEEB	
COc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OCc1ccccc1[N+](=O)[O-]	103755629	UOCIBWXZGDTLQD-WPWMEQJKSA-N	550.576	2.487	30	40	KEEB	
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CS[C@H]12)c1csc(N)n1	255962013	AFZFFLVORLEPPO-LLNGWONCSA-N	620.735	2.298	30	40	KEEB	
CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@H]1C[C@H](C)CN[C@H]1[C@H]2C	257198754	HYDDDNUKNMMWBD-FJLUZQDISA-N	587.754	2.005	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1	408947631	JKXWOEBJASHCCJ-OQZYCAJPSA-N	621.441	2.433	30	40	KEEB	
COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)N3CCCC3)n(-c3ccc(C)cc3)c2=O)c(OC)c1OC	102963549	RPEMZDSHLGKMRZ-ADVPLZGFSA-N	505.596	2.359	30	40	KEEB	
COc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	102865532	RQSBNYNEDKNSRX-IUKMQXEJSA-N	573.668	2.098	30	40	KEEB	
O=C(c1ccco1)N1CCN(S(=O)(=O)c2cc3c(c([N+](=O)[O-])c2)-c2c(cc(S(=O)(=O)N4CCN(C(=O)c5ccco5)CC4)cc2[N+](=O)[O-])C3=NO)CC1	195802545	JETMCGFHANVMSW-UHFFFAOYSA-N	769.727	2.189	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCc5ccccn5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	70697644	FXKBKGGAPRRXSX-IZYQICOZSA-N	525.646	2.297	30	40	KEEB	
COC(=O)c1nc(-c2ccc3c(n2)C(=O)C(N)=C(OC)C3=O)c(N)c(-c2ccc(OC)c(OC)c2O)c1C	100365751	HKZHTIOXLTVSKR-UHFFFAOYSA-N	520.498	2.406	30	40	KEEB	
CC1(C)[C@@H](O[C@@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	252694509	LPLVUJXQOOQHMX-REHCIZEKSA-N	822.942	2.246	30	40	KEEB	biogenic
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccccc1F	9358534	CZGZDQGLTAPRFZ-NRFANRHFSA-N	504.536	2.071	30	40	KEEB	
COc1cc(/C=C/C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1OCC#N	97979018	FYGQSGBOGLZNNJ-YCRREMRBSA-N	533.990	2.340	30	40	KEEB	
Cc1ccc(/N=C(/S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1	17466104	WHGSAADJYHMTSQ-UHFFFAOYSA-N	540.689	2.066	30	40	KEEB	
COC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@H](OC)/C=C/C=C(\C)C(=O)NC(=CC1=O)C2=O	169346610	QTQAWLPCGQOSGP-KLCFQABLSA-N	560.644	2.408	30	40	KEEB	
C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	408596043	NGDUUQDSJGOCOM-FQEVSTJZSA-N	525.587	2.454	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc([N+](=O)[O-])c1	408954925	PTWZCYJBENPMEF-NBBJKDIKSA-N	513.507	2.115	30	40	KEEB	
COc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC	9186772	ANPUTCIZVSMQDN-ZHHPLPSFSA-N	531.631	2.328	30	40	KEEB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N\NC3=NC(=O)CS3)N(Cc3ccco3)C2=O)cc1	12580190	PQHTWIOCCFMUAF-DAAIQYDRSA-N	515.573	2.419	30	40	KEEB	
N#CCc1ccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	408829080	KKFVXTATJMXVHO-XMMPIXPASA-N	524.624	2.455	30	40	KEEB	
CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(/C=C\c3scnc3C)=CS[C@H]12)c1csc(N)n1	1570003509	YVQSNEJXCGJZHO-XVKTZBCJSA-N	620.735	2.297	30	40	KEEB	
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OCc1ccc(N=Nc2ccccc2)cc1)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@H](CCCN=C(N)N)C(=O)O	256009045	WLJYNHBZKOQNNI-BHSUFKTOSA-N	776.896	2.464	30	40	KEEB	
CCOC(=O)c1sc(NC(=O)Cn2c(=O)c3c(ncn3CCOC)n(Cc3ccccc3)c2=O)c(C#N)c1C	3358073	LAEMSJRVGSFNTC-UHFFFAOYSA-N	550.597	2.111	30	40	KEEB	
COc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1OC	102865534	RQSBNYNEDKNSRX-NPJIAGGLSA-N	573.668	2.098	30	40	KEEB	
N#Cc1cccc(NC(=O)COC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)c1	3219419	CVMJRSBXRYPCBJ-UHFFFAOYSA-N	508.350	2.137	30	40	KEEB	
C=CCOC(=O)Nc1nc2c(s1)C[C@H]1[C@@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCCN1CCOCC1	20504829	IVMLHFJTDLPURJ-BTMGPYGNSA-N	536.695	2.132	30	40	KEEB	biogenic,in-vitro
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O	85867252	KYTWXIARANQMCA-GRVCKPBUSA-N	748.952	2.047	30	40	KEEB	biogenic
Cc1ccccc1OC[C@@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C	100267551	XOUSWENFKQMJFA-XIMCHAMWSA-N	541.406	2.391	30	40	KEEB	
COc1cc(-c2c(C#N)c(N)nc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)c2C#N)cc(OC)c1OC	101663613	OLBVCMYKIIQLQT-UHFFFAOYSA-N	554.610	2.478	30	40	KEEB	biogenic,in-vitro
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	150344985	PUAPOUIPTCFMNT-CALFMQOISA-N	657.717	2.099	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC)c1OC	408946061	IAUPASQGDQTYHQ-ZUTJGHFYSA-N	528.562	2.224	30	40	KEEB	
COCCn1/c(=N/C(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21	9209495	KYAAILCCFWDMHS-BYNJWEBRSA-N	503.515	2.243	30	40	KEEB	
C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	68602266	OICJJPULPAOUPO-HFBPXNMRSA-N	534.602	2.436	30	40	KEEB	
O=C1C(=C2N[C@H](C(=O)O)[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@@H]23)C(=O)c2ccccc21	2571536	LTHAYVRJWBEWNN-KEYYUXOJSA-N	548.861	2.157	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1F	9358461	UAPCQJPKVLVXJW-JOCHJYFZSA-N	518.563	2.461	30	40	KEEB	
COc1ccc([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	102507608	JUKGRZNDLHPCIG-ZZIWUOEGSA-N	506.559	2.414	30	40	KEEB	
CC1(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O	257198909	LPLVUJXQOOQHMX-GWTDWMBYSA-N	822.942	2.246	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)c(OC)c1	408959306	ZDMKOGBIJSNSBZ-YNMPAXSUSA-N	528.562	2.224	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(OC)c1	97954862	YCFPRNUIQZONIR-QHCPKHFHSA-N	530.599	2.331	30	40	KEEB	
CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)/C(=N/O)[C@@H](C)[C@H](O)[C@@]1(C)O	584577590	KYTWXIARANQMCA-MHLQJQDASA-N	748.952	2.047	30	40	KEEB	
COc1cc([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102881564	RKFSTWZGZQOTDT-ZZIWUOEGSA-N	536.585	2.422	30	40	KEEB	
C=C1C[C@@H]2[C@@]3(C)[C@@H]([C@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@H]2C(=O)O[C@@H](C)C(=O)[C@]12C)C(C)(C)OC(=O)C[C@H]3OC(C)=O	247977110	VPQXGRQIXIAIQO-OPRBPWKJSA-N	534.602	2.292	30	40	KEEB	biogenic,in-vitro
COC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)/C=C/C=C(\C)C(=O)NC(=CC1=O)C2=O	100154082	QTQAWLPCGQOSGP-DVKIRIBLSA-N	560.644	2.408	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)cc1	408958770	WRILYDIHUQQHHC-AZVXSGESSA-N	523.546	2.109	30	40	KEEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5cnc6c(ncn6[C@@H]6O[C@H](CO)[C@H](O)[C@@H]6O)c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C	263608112	SUSHPBOFGLYMMN-UGEUWFDMSA-N	991.017	2.154	30	40	KEEB	
CC(=O)c1c(O)c(C)c(O)c2c1OC1=CC(=O)/C(=C(\C)Nc3ccc(N[C@@H]4CS(=O)(=O)C[C@@H]4O)cc3)C(=O)[C@@]12C	1547212402	KEJSKMPEMGMZDC-FVQVEQBGSA-N	568.604	2.251	30	40	KEEB	
COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118922031	IZTYADBPMXUWSF-DYLHUMTCSA-N	571.667	2.053	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccccc1	9374495	NSWLSGVTMXCLII-QFIPXVFZSA-N	500.573	2.322	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OCC#N)c1	408949078	LICOGQFTMOMXEN-RCULONRVSA-N	523.546	2.109	30	40	KEEB	
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1	20290303	FAAGDABEUCRVEA-QHCPKHFHSA-N	508.527	2.155	30	40	KEEB	
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	38144912	ZRPCKLCAFOLTCA-IJJOSXPWSA-N	591.723	2.211	30	40	KEEB	biogenic
CCOC(=O)CN1C(=O)/C(=N/NS(=O)(=O)c2ccc(OC)c(OC)c2)c2cc(Br)ccc21	97965708	VZMMYSKOEFABLX-ZBJSNUHESA-N	526.365	2.059	30	40	KEEB	
COCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(S(C)(=O)=O)ccc21	100872792	MXWCUNIASRGIPF-PNHLSOANSA-N	575.694	2.312	30	40	KEEB	
COc1ccc(CCN(CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC	77312005	PMBMAYXZKGXGNE-DQTWMPDNSA-N	616.708	2.355	30	40	KEEB	in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408948912	LBGSMBJERXFJLP-ULPMAKIDSA-N	573.559	2.133	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1	408940422	CBDILEAAMIEINC-PRJANPOJSA-N	607.016	2.333	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1	408940424	CBDILEAAMIEINC-WCYITLMCSA-N	607.016	2.333	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875654	QCDZNIUVQDAWHD-JSOFMQCWSA-N	546.696	2.391	30	40	KEEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O	257373088	ACTOXUHEUCPTEW-BWHGAVFKSA-N	843.065	2.325	30	40	KEEB	
O=[N+]([O-])c1ccc(COc2cccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2)cc1	8872345	CBSGAXFHNBQDOM-YZSQISJMSA-N	520.550	2.478	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@@H]1[C@@H](O)[C@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	100898635	OYNIPTDPTUSUAY-CKBZWTGOSA-N	542.496	2.011	30	40	KEEB	in-vitro
Cc1c(CC(=O)NCCSCCC(=S)ON2C(=O)C[C@@H](S(=O)(=O)O)C2=O)c(=O)oc2cc(N=[N+]=[N-])ccc12	100102017	OKCLAHRGFNTMAS-MRXNPFEDSA-N	583.626	2.100	30	40	KEEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409387703	JMFYOUFNBZKFLJ-ZHHPLPSFSA-N	529.574	2.430	30	40	KEEB	
CC(=O)C(C(=O)OC(C)(C)C)=C1NC(=C(C(C)=O)C(=O)OC(C)(C)C)NC(=C(C(C)=O)C(=O)OC(C)(C)C)N1	33355453	DKDZOIGTTFKJDO-UHFFFAOYSA-N	549.621	2.196	30	40	KEEB	
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C\c2cccc(Cl)c2Cl)c(=O)n1-c1ccc(F)cc1	102963686	OBLDEYGWLAEQMU-GBJZVLQGSA-N	547.439	2.296	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	118917070	XQCGNURMLWFQJR-AFYPQISWSA-N	548.673	2.433	30	40	KEEB	
CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC1[C@@H](O)[C@@H](O)C(OP(=O)(O)O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCC	150339862	HSKNPGLBSRRIJC-YMENMQTDSA-N	694.645	2.380	30	40	KEEB	in-vitro
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12	242548616	LPLVUJXQOOQHMX-FQUJRMSRSA-N	822.942	2.246	30	40	KEEB	biogenic
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	85907153	CESZBWDCEVHSEC-MKIJCKPGSA-N	517.623	2.087	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cc(OC)c(OC)c(OC)c1	102556882	FUSSCEUZVFNMDZ-JBCNATCCSA-N	534.587	2.031	30	40	KEEB	
COc1cccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1	98047029	DPJSCWIXTMRNQT-SANMLTNESA-N	585.679	2.017	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC(C)=O)c1	408951169	MUMGIXYFMRMKSO-FOFBPULZSA-N	526.546	2.132	30	40	KEEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c1OCO2	85413314	NVFXIMYCWXAHDK-JOCHJYFZSA-N	510.499	2.063	30	40	KEEB	
NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCCNOC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1	95550040	SILIGTWWNBSTBB-TWHRXLCVSA-N	834.931	2.192	30	40	KEEB	
Cn1c(=O)c2c(nc(N/N=C3\C(=O)Nc4ccc(Br)cc43)n2Cc2ccc(F)cc2)n(C)c1=O	100747725	NZSSHKATVUVEIM-UHFFFAOYSA-N	526.326	2.152	30	40	KEEB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	245224511	XQCGNURMLWFQJR-YUFXEBNZSA-N	548.673	2.433	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	100955108	LGGWIFCVDQIBES-VQJUMFNWSA-N	559.524	2.081	30	40	KEEB	
Cc1cc(Cl)c2c(c1)[C@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	38153651	HPGWYRZQQCQUGN-POTSHQGWSA-N	524.002	2.261	30	40	KEEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102490434	MPSYLGVZAKYBHO-COUQNMRISA-N	539.585	2.349	30	40	KEEB	
C=CCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	67337323	PFULLXUIGYTNMM-UHFFFAOYSA-N	507.060	2.011	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918588	KLVFPBQMCBMXDO-YUFXCJFTSA-N	582.694	2.397	30	40	KEEB	
COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)[C@](C)(O)C=CC=C(C)C(=O)Nc2c(C)c(OC(C)=O)c3c(c2O)C(=O)C(C)=C2OCOC(=C23)C(C)=C[C@](C)(O)[C@H](O)[C@H](C)[C@H]1O	254201700	VFWVBAYZDJRDPD-AAWGWHJGSA-N	785.840	2.220	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@@H]1[C@H](O)[C@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	100898639	OYNIPTDPTUSUAY-VZVCOTFSSA-N	542.496	2.011	30	40	KEEB	biogenic,in-vitro
C=CCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1	67337858	LODDSWQOZAECCW-UHFFFAOYSA-N	521.087	2.401	30	40	KEEB	
C[C@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	70692095	SYJFEZXIMZBLMC-NVOBEZFVSA-N	547.645	2.092	30	40	KEEB	biogenic
Cn1cc(-c2ccc3c(c2)OCC[C@@H]2CC[C@H](O)[C@@H](CNC(=O)[C@@H]4CN(Cc5ccc(C#N)cc5)CCN4C3=O)O2)cn1	253398826	HPGYEFAXAAKVJT-UTDCNRKPSA-N	584.677	2.093	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@@H]1O	1548337547	IEMDOFXTVAPVLX-JDLAITFISA-N	785.969	2.443	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918835	ABINSSSHOUBAOH-CMHAGNCVSA-N	598.741	2.272	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	261494713	RXZBMPWDPOLZGW-HITVVWEBSA-N	837.058	2.210	30	40	KEEB	world
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@H]1C(=O)O	70692051	RUEIZZQOIROXMJ-RHOJELAISA-N	559.656	2.188	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(N(C)C)cc1	408945810	HUCVQHWFJMEZEK-UJHCQMTCSA-N	511.579	2.273	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1	408947647	JKXWOEBJASHCCJ-PVFGUTFKSA-N	621.441	2.433	30	40	KEEB	
O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1	14359367	JPTHJZIAXPOLOH-UHFFFAOYSA-N	520.633	2.211	30	40	KEEB	
COc1ccc([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1OC	102507598	JUKGRZNDLHPCIG-UVDRRRQGSA-N	506.559	2.414	30	40	KEEB	
C=C[S@@+](=O)(O)c1cccc(N2C(=O)c3cc(S(=O)(=O)O)cc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)c1	409415877	QFRPKTZPMNNLFG-UHFFFAOYSA-P	539.545	2.191	30	40	KEEB	
CCOc1ccc(N2C(=O)/C(=C/c3ccc(CN(CCC#N)S(C)(=O)=O)o3)C(=O)NC2=S)cc1	2177519	IRVCWHPYPQCVOZ-CPNJWEJPSA-N	502.574	2.185	30	40	KEEB	
N#C/C(C(=O)N1CCOCC1)=c1\s/c(=C/c2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(F)cc1	96400387	ZFRZIQMCCCYCHO-NXLXSZEBSA-N	501.486	2.001	30	40	KEEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102490423	MPSYLGVZAKYBHO-BUANBSPESA-N	539.585	2.349	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1	408728065	ZNAWPSDCVRQDFY-OVVQPSECSA-N	519.562	2.219	30	40	KEEB	
C=CCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	71328451	PEBDLLKRNAHWJW-UHFFFAOYSA-N	521.087	2.401	30	40	KEEB	
OCC(CO)(CO)Nc1nc(N/N=C\c2ccc(Cl)cc2)nc(N/N=C\c2ccc(Cl)cc2)n1	35183087	WPLAIQKPIPEMEL-QNSJPTDDSA-N	505.366	2.198	30	40	KEEB	
C=CCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccccc3OCC)CC2)CC1	67337067	LEKLTVAVMOIYJC-UHFFFAOYSA-N	530.695	2.147	30	40	KEEB	
Cc1ccccc1OC[C@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(=O)n(C)c(=O)n2C	100267545	XOUSWENFKQMJFA-ROJKJRQJSA-N	541.406	2.391	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	261494545	LPLVUJXQOOQHMX-BZPYUXIYSA-N	822.942	2.246	30	40	KEEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C(O)C(=O)N2CCN2CCOCC2)cc1	8817993	WHGIWCZNMNJSQH-HSZRJFAPSA-N	504.543	2.340	30	40	KEEB	
COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70697902	IZTYADBPMXUWSF-RUOMQGBRSA-N	571.667	2.053	30	40	KEEB	biogenic
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)cc1	97954926	JGITXOJPUALVJL-HSZRJFAPSA-N	531.606	2.377	30	40	KEEB	
CCOC(=O)COc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944070	GGCODLQXPUVRPN-ARGNIOBNSA-N	600.625	2.158	30	40	KEEB	
CC(=O)O[C@@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)OCO[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(C)=O	104182328	JJJOKCGHKBDRTF-CXSMSNRLSA-N	586.637	2.019	30	40	KEEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](OC(N)=O)[C@H](OC)/C=C\C=C(\C)C(=O)NC(=C(/C=N\N3CCOCC3)C1=O)C2=O	150388501	NBLSLHGULNLUQD-AGOBGXKOSA-N	672.776	2.097	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	408948456	KHJIDQOKMOQJSX-JDUYEFSYSA-N	527.534	2.424	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O	27020864	SHKJKQTZFOWIKN-DEOSSOPVSA-N	510.543	2.473	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C	102859749	MLOYRUZPLZOBGL-IAMBOQNYSA-N	527.574	2.189	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(Cl)cc1	102891172	UWHZEAKCCYALMP-JBCNATCCSA-N	520.991	2.429	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@H](OC2=C(c3ccccc3)C(=O)C(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)=C(c3ccccc3)C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	263601668	LJQICEPXOKOTEJ-RXZLQLTISA-N	952.868	2.160	30	40	KEEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)OC	408958266	VJZISXZNSOQVFA-VADOVIKSSA-N	600.625	2.158	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(I)cc(I)c2O)C(=O)NC1=S	408961870	OZBYKKHPVUTMIX-WEVVVXLNSA-N	540.120	2.414	30	40	KEEB	
COC[C@@H]1O[C@H](O[C@H]2C3=C(C(C)C)CC[C@@]3(C)C=C3[C@@H](CC[C@]3(O)COC)[C@@H](C)[C@H]2O)[C@H](O)[C@H]2O[C@@H]3O[C@]12O[C@]3(C)[C@@H]1CO1	73417938	SMQRKTIIIYTOTN-DXNWIAPUSA-N	622.752	2.207	30	40	KEEB	
C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Br)CC3)cc2C1=O	12937945	BUSJOJJBMFGUFB-UHFFFAOYSA-N	518.389	2.378	30	40	KEEB	
O=S(=O)(Oc1ccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1	408970176	CCTAETMRBBIESF-LGUFXXKBSA-N	524.603	2.364	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@@H](CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547139470	QQJQMNHBQJRTGY-ISRHWVEGSA-N	753.161	2.215	30	40	KEEB	biogenic
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N\OCOCCOC)[C@H](C)[C@H](O)[C@@]1(C)O	242649230	RXZBMPWDPOLZGW-FXUZDZMVSA-N	837.058	2.210	30	40	KEEB	
COC(=O)/C(=N/N)[C@@H](C(=O)C(=O)Nc1cc(Cl)ccc1Cl)c1nc2ccc([N+](=O)[O-])cc2nc1O	104297343	OBYALTOTXPFLHX-DLRQYPSYSA-N	521.273	2.330	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@@]1(C)O	575232369	KYTWXIARANQMCA-SMYMPCFLSA-N	748.952	2.047	30	40	KEEB	in-vitro
CO[C@H]1C[C@@H](C)CC2=C(O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@H]1O)C2=O	104188643	KKZJVQQMUCBLHR-GTYHUWSGSA-N	546.617	2.320	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	261494549	RXZBMPWDPOLZGW-WYFVQUELSA-N	837.058	2.210	30	40	KEEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1	102495963	WRULVEVRYPAUAB-BUANBSPESA-N	518.570	2.492	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O	253388530	KYTWXIARANQMCA-HADJYBMASA-N	748.952	2.047	30	40	KEEB	
COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	8383648	WDQJVFMTRRXIPY-DEOSSOPVSA-N	510.543	2.386	30	40	KEEB	
COC(=O)[C@H]1C(=O)/C(=C/NCCCCCCN/C=C2\C(=O)CC(C)(C)[C@@H](C(=O)OC)C2=O)C(=O)CC1(C)C	100741154	RLQGKUISCABMBZ-JNQSZTNGSA-N	532.634	2.208	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1	408947645	JKXWOEBJASHCCJ-PLAWDKPFSA-N	621.441	2.433	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70692300	FWCFPYAVALXTLQ-CJHXIQTOSA-N	637.726	2.495	30	40	KEEB	biogenic
COc1cc([C@H](CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)C2=C(O)C[C@H](C)[C@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)C2=O)ccc1O	1547208626	WVVDLUMWUYBKPL-ZXOGHHJSSA-N	666.101	2.254	30	40	KEEB	
Cc1cc(C(=O)Oc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc([N+](=O)[O-])c1	8872354	GYWOQOYADPIMNO-WPWMEQJKSA-N	548.560	2.427	30	40	KEEB	
CCCCCCCCCC(=O)O[C@H]1[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](CO)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@@H](O)[C@H]1OC(=O)CC(C)C	67911707	LOTLMZWGLBOKFL-VCBFGMTASA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1\C(=O)N(c2cccc(S(=O)(=O)O)c2)N=C1C	100367852	HAKVUJHKZYVNIJ-VQINFILPSA-N	570.674	2.232	30	40	KEEB	
CO[C@H]1C[C@@H](C)CC2=C(O)C(=O)C=C(NC(=O)/C(C)=C\C=C\[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1O)C2=O	104188640	KKZJVQQMUCBLHR-CVMSECFJSA-N	546.617	2.320	30	40	KEEB	
C=C1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H]([C@H](C)[C@@H](O)CCCCCCCCC)OC1=O	2332243423	UXKCXDWPRRDYKU-QQUQGPDRSA-N	539.714	2.322	30	40	KEEB	
NC(=O)COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1	702785	FTXADMSILUMNFW-QFIPXVFZSA-N	544.402	2.224	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)O	70697008	CWHCNVXQPZJHLP-HINYIVJSSA-N	561.672	2.484	30	40	KEEB	biogenic
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@@]1(C)O	261166206	RXZBMPWDPOLZGW-KZZUFLRLSA-N	837.058	2.210	30	40	KEEB	
CC(C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccccc1	60059865	WFUSENHCPDYHMT-UPRLRBBYSA-N	599.736	2.346	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccc(OC(C)=O)cc1	408948086	KCZWHFKMZQHNKV-YAIIYLDSSA-N	526.546	2.132	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c([N+](=O)[O-])cc1OCc1ccccc1	409202531	UDPQRMOMBRIRTQ-WPWMEQJKSA-N	550.576	2.487	30	40	KEEB	
C=C(C)[C@H]1CC[C@@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	2037931656	WOOPUJXMROOOPP-JGRXZRNZSA-N	897.109	2.229	30	40	KEEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1C	24147268	XQROHBSYWDSDHF-NDEPHWFRSA-N	505.571	2.435	30	40	KEEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1O[C@@H](C)C(=O)O	409352427	CKSFQUHVRGRWMJ-JTQLQIEISA-N	509.256	2.449	30	40	KEEB	
COC(=O)[C@]1([C@@H]2CCC(=O)N2)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288260	YRDWMYMUXJIKKU-LZENFQBMSA-N	571.538	2.492	30	40	KEEB	biogenic,in-vitro
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(OC)c1	102894198	FNAXQOSRAAYRGK-AYWGPLOBSA-N	530.599	2.174	30	40	KEEB	
NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCCNOC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1	95550038	SILIGTWWNBSTBB-MYOMABOUSA-N	834.931	2.192	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc([N+](=O)[O-])c1	408954923	PTWZCYJBENPMEF-HNSFORISSA-N	513.507	2.115	30	40	KEEB	
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCN(C(C)=O)C3)cc1	3007300	RWDJZEFVLGTRKU-UHFFFAOYSA-N	502.618	2.367	30	40	KEEB	
COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	98047030	FMPSNSUVJYPPFY-HHHXNRCGSA-N	615.705	2.025	30	40	KEEB	
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1)c1ccccc1	100681210	KDKHLBQZEXOAFM-MAFAOTQISA-N	527.379	2.462	30	40	KEEB	
O=C(COC(=O)CNC(=O)c1ccccc1I)Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1	97979113	BQCXLTMJJTZLAD-UHFFFAOYSA-N	612.446	2.454	30	40	KEEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@H]1O[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3NC(C)=O)CC[C@@]21C	1775964026	ONOBZRVXUMNVLN-MYDYCVNYSA-N	913.156	2.134	30	40	KEEB	biogenic,in-vitro
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	123330461	XQCGNURMLWFQJR-ZGPXJKJLSA-N	548.673	2.433	30	40	KEEB	
N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cc1	10708615	ZYQHOOXPQZBNGL-UHFFFAOYSA-N	518.602	2.014	30	40	KEEB	
C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2ccc(Cl)cc2c1=O	103123740	LAENFYORFBRVMB-UHFFFAOYSA-N	582.038	2.338	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1	408940420	CBDILEAAMIEINC-JGPFBCKMSA-N	607.016	2.333	30	40	KEEB	
CCOc1ccc(NN=C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	8694652	XLGJWLATSDKWQF-UHFFFAOYSA-N	558.638	2.480	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)sc2cc(S(N)(=O)=O)ccc21	100875934	HAWXQHRKQYOVQU-RFBIWTDZSA-N	552.659	2.476	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Cl)c1	102890888	MVGLPGQDOPMHGH-MRJHHRETSA-N	520.991	2.429	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1[N+](=O)[O-]	408949629	LRNZWZWLGPRHDC-HNSFORISSA-N	513.507	2.115	30	40	KEEB	
CC(C)(C)c1csc(NC(=O)c2ccn3c(=O)c(/C=C/c4nnn[nH]4)c(N4CCC[C@@H](OC(=O)NCC[N+](C)(C)CC(=O)O)C4)nc3c2)n1	28874168	RVJNIKFVEAWLQC-HXUWFJFHSA-O	694.799	2.240	30	40	KEEB	in-vitro
CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N\N=C2\CC[C@]4(O)[C@@H]6Cc7ccc(O)c8c7[C@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@@H]1C5	84586472	WKXKOQQVFYOJBC-OECQYWHZSA-N	598.700	2.163	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N\OCOCCOC)[C@H](C)[C@H](O)[C@]1(C)O	242649235	RXZBMPWDPOLZGW-WRCOTACHSA-N	837.058	2.210	30	40	KEEB	
C#CCOc1ccccc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959467	ZUPUUHSWNGHNPJ-CLTIBCLCSA-N	522.558	2.219	30	40	KEEB	
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F	616567927	XNMKUIBDXFWGON-QXEWZRGKSA-N	532.429	2.413	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/[C@@H]1C(=O)N(c2ccccc2)N=C1C	408953647	OVIRBKXUABUXOY-BQFSCCKLSA-N	564.599	2.198	30	40	KEEB	
C#CCOc1cccc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408957356	STMUPXHEWGLYGY-SYUGGXAZSA-N	522.558	2.219	30	40	KEEB	
N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(F)cc1	25391865	ZFRZIQMCCCYCHO-JAGIGGSZSA-N	501.486	2.001	30	40	KEEB	
COc1ccc(OC[C@H](O)Cn2c(N/N=C(\C)c3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	8396652	OYTUANYUGPEYBO-YNCTYVJUSA-N	512.954	2.361	30	40	KEEB	
CCOc1cc(/C=N/N=C2\NC(=O)[C@H](CC(=O)O)S2)ccc1OS(=O)(=O)c1ccc(OC)cc1	12285224	POFCRJXIWCCDIW-YPKZHZFPSA-N	507.546	2.258	30	40	KEEB	
CO[C@H]1C[C@@H](C)CC2=C(O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H](C)[C@H]1O)C2=O	104188636	KKZJVQQMUCBLHR-KXERGEKWSA-N	546.617	2.320	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)O	118920791	OZYIJRBLAGRFLQ-HWFKICPOSA-N	559.656	2.188	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OCC#N)c1	408949064	LICOGQFTMOMXEN-LEZZXSSMSA-N	523.546	2.109	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5956175	BRAOXIPLUVPZOV-AHJNKEMKSA-N	508.549	2.270	30	40	KEEB	
CNC(=O)[C@H](C)[C@H]1C(=O)/C(=C(O)/C=C\C(C)=C\[C@H](C)[C@H]2O[C@]3(C)O[C@@H](C=C[C@@]34CO4)[C@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1	100303044	KVTPRMVXYZKLIG-DJRCQCHBSA-N	600.709	2.460	30	40	KEEB	in-vitro
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CC(=O)CCC(=O)N[C@@H]1CCCCNC1=O	118918679	YEUHPGXXCFWSLL-PNSFFRIKSA-N	556.700	2.314	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	263596437	FQVHOULQCKDUCY-QTFRLRHMSA-N	841.989	2.433	30	40	KEEB	
CC(C)C1=CC(=O)[C@](C)([C@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@@H](O[C@@H]6OC[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@@H]6O)C5(C)C)[C@]4(C)C(=O)C[C@]23C)O1	584567142	WPXIIGGPWPYUSJ-IELFCTDCSA-N	762.934	2.315	30	40	KEEB	
CC(=O)Nc1ccc(/C=N\NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C\c3ccc(NC(C)=O)cc3)CC2)cc1	104064440	YIJLECZILADZFW-YWQXDYITSA-N	638.868	2.297	30	40	KEEB	
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@]12C(=O)N(C)c1ccccc12	98046877	ARFQLIGZDMDCLC-MUUNZHRXSA-N	552.653	2.132	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cccc(OC)c21	100910462	OYOCKLHNZQSYHK-IZHYLOQSSA-N	517.629	2.369	30	40	KEEB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	257199243	XLHAHJIHHKLTJD-WFNDYVBOSA-N	531.646	2.104	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O	253388534	KYTWXIARANQMCA-MNERTVGPSA-N	748.952	2.047	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)ccc2OC)c1C	8827240	OZEBMDYIRRQREK-HSZRJFAPSA-N	527.574	2.346	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1[N+](=O)[O-]	105455246	QMNSFATYKJZPIQ-WPWMEQJKSA-N	550.576	2.487	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	118921977	DTUAOVYKPDCWLH-TZXIQVAQSA-N	612.720	2.191	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1	70691957	BAYQCOHYDZEZIK-RLQZKUMVSA-N	625.715	2.416	30	40	KEEB	biogenic
CC(=O)OC[C@@H]1O[C@H](OC2=C(c3ccccc3)C(=O)C(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)=C(c3ccccc3)C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	263601666	LJQICEPXOKOTEJ-DTQMTOAQSA-N	952.868	2.160	30	40	KEEB	
CN(C)c1ccc(-c2ccnc(N[C@H]3CO[C@@H]4[C@@H](NS(=O)(=O)c5ccccc5C#N)CO[C@H]34)n2)cc1	5397975	LOOFYTUJWWDWRP-NEUULRRLSA-N	506.588	2.006	30	40	KEEB	biogenic,in-vitro
O=C(O)COCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311724	DMOSJUMDMUXBJZ-DXZDQSLTSA-N	520.429	2.427	30	40	KEEB	
C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nnc1-c1ccccc1	103134562	LZIDGTHGMLGLCQ-UHFFFAOYSA-N	546.609	2.233	30	40	KEEB	
C=C1[C@]2(CCC(=O)OC2(C)C)C[C@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@]34C(=O)O[C@@H](C)[C@@]35O[C@]12[C@@H](OC(C)=O)[C@@](C)(OC5=O)C4=O	100063871	PUNXZEDIXYLVKL-CBPWVHQMSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)O	408954396	PLTKGYHUFPJMQC-KSTMVPOMSA-N	586.598	2.069	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]3c1ccc3c(c1)n(C)c(=O)n3C)C2=O	604404218	LREBXLGYWUSMQN-FGUXERLGSA-N	648.072	2.380	30	40	KEEB	biogenic
C/C(=N\OCC(=O)O[C@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc2c(c1)OCO2	12881347	OCSMQVFUWUPZGX-FYHAJLKWSA-N	505.549	2.285	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)OC)c(I)c1	408958525	WESICMHOVCMFGE-QRDZMATFSA-N	682.468	2.364	30	40	KEEB	
Cc1ccccc1OC[C@@H](O)Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	100267519	JRWRECWZEKPCDD-HWYIRHLISA-N	543.378	2.086	30	40	KEEB	
C=CCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)nc2ccccc2c1=O	103080234	YCAUBCJKWFFVOP-UHFFFAOYSA-N	530.628	2.343	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	103755722	URWWMFTWUUYREC-WPWMEQJKSA-N	564.559	2.127	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C	8897468	QGFDPLXGZGMDPF-QFIPXVFZSA-N	527.574	2.346	30	40	KEEB	
CCCCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046805	APVLUTXQEFAWKP-PMERELPUSA-N	596.706	2.148	30	40	KEEB	
C=CCOc1c(I)cc(/C=C2/NC(=O)N(CC(=O)O)C2=O)cc1I	408586722	BAIAYJIZRZOPLY-IZZDOVSWSA-N	554.078	2.438	30	40	KEEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)O	70692161	GIZFZIKMEJJING-JHXKAMGPSA-N	557.640	2.397	30	40	KEEB	biogenic
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/CCCO)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	70692230	VAQVCNUMZITNLC-LNBBNXLMSA-N	591.742	2.034	30	40	KEEB	biogenic
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1/N=N\C=N\Nc1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1OC	104227660	RQVAPAGNJURXBL-IMSHJVLSSA-N	534.441	2.153	30	40	KEEB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	252429436	OQUGHBWMRWLNMR-NVAMELIKSA-N	543.525	2.211	30	40	KEEB	
COC(=O)CCC(=N/C(O)=C(\CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N/C(CC(=O)OC)=C(/[O])CF)C(C)C	1560411774	ZTKMMOBMICIEOX-HWMXIBCMSA-N	665.648	2.029	30	40	KEEB	
COC1=C(OC)[C@@H]([C@@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)OC1=O	68562246	SZCDDOBRSONPHY-RTBURBONSA-N	512.558	2.213	30	40	KEEB	
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O	8585934	DRYDKQOPVBDZMQ-GZJWRCBXSA-N	638.578	2.164	30	40	KEEB	in-vitro
C=CCOc1c(I)cc(I)cc1/C=N/NC(=N)N[N+](=O)[O-]	408979416	QMIULFBMQNWGKB-GIDUJCDVSA-N	515.049	2.100	30	40	KEEB	
CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@@H]2[C@@H](C)O[C@@H](O[C@@H]3[C@@H](OC)[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@@H]3CC=O)[C@H](O)[C@H]2N(C)C)C[C@@]1(C)O	95629553	JZVYPSLDMXOITF-MJRCUCNNSA-N	771.942	2.197	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	301054320	LPLVUJXQOOQHMX-RTHXUKHVSA-N	822.942	2.246	30	40	KEEB	
COc1nc(N/N=C/c2cc(I)cc(I)c2O)nc(N2CCOCC2)n1	408718202	ALBLFLPHANSDKV-QGMBQPNBSA-N	582.140	2.078	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC(C)=O)c(OC)c1	408946255	IHEZVKBGSGNSAN-NKKZKYQCSA-N	556.572	2.141	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)/C(=C/NCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@H]1C)C2=O	1547203738	OXWRNDXDRBJKSC-ZLOMDCMBSA-N	596.036	2.130	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)O	8789029	FZNFCHGHSNMDIF-MLOXMCPPSA-N	503.592	2.343	30	40	KEEB	biogenic
C[C@@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2C#N)C1	34852449	RGQQSNMLVFNOQZ-MRXNPFEDSA-N	516.645	2.461	30	40	KEEB	
CC1=C/C(=C(\c2cc(C)c(O)c(CNCC(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(CNCC(=O)O)C1=O	60272884	KRKXJTVSUGCCBR-BWAHOGKJSA-N	556.593	2.053	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	102549059	CSORGSSPPMBDIA-MOBKVPTQSA-N	545.570	2.074	30	40	KEEB	
COc1nc(N/N=C/c2cc(Br)c(O)c(Br)c2O)nc(N2CCOCC2)n1	16248175	NPDYVTMASXOJQV-CNHKJKLMSA-N	504.139	2.099	30	40	KEEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3c(C)nc4c(C)cccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1	102495970	WRULVEVRYPAUAB-COUQNMRISA-N	518.570	2.492	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C	102880135	ZUNKCYURBAHHON-BUANBSPESA-N	527.574	2.189	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)O)c(OC)c1	408940419	CBDILEAAMIEINC-CIYTXOHGSA-N	607.016	2.333	30	40	KEEB	
CCCCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046866	GVJKAISSZHZLLZ-PMERELPUSA-N	596.706	2.148	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C\Nc3ccc(S(N)(=O)=O)cc3)C(=O)C[C@H]1C)C2=O	604404943	MKRRMRRQJZKKAQ-DAAINPEOSA-N	520.947	2.493	30	40	KEEB	biogenic
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@@H]12)c1csc(N)n1	8584443	AFZFFLVORLEPPO-HKXNAWGTSA-N	620.735	2.298	30	40	KEEB	in-man
O=[N+]([O-])c1ccc(Oc2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)nc1	409194404	KZGHVFIQQBQKDZ-MYYYXRDXSA-N	507.511	2.086	30	40	KEEB	
CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CS[C@H]12)c1csc(N)n1	59660408	AFZFFLVORLEPPO-KFANPYIMSA-N	620.735	2.298	30	40	KEEB	
CO[C@H]1[C@@H](OC)[C@H](O)[C@@H](C)O[C@H]1O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1	118931991	BGGIZHKHJBQRTI-NDRFEJEDSA-N	578.699	2.058	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(I)c2)C(=O)NC1=S	408903706	WUOUOTBPSILBIF-BJMVGYQFSA-N	565.183	2.418	30	40	KEEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1	16735606	CYGDXXYQWKWWQE-NRFANRHFSA-N	516.576	2.375	30	40	KEEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C/C[C@@H](C)OC(=O)C[C@H]1O	255961721	ACTOXUHEUCPTEW-KWBWCIJSSA-N	843.065	2.325	30	40	KEEB	in-vitro
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408948962	LEKAMSODHYSKTR-ZOLLBZJMSA-N	528.562	2.311	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@@H]1[C@H](O)[C@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	2048392592	OYNIPTDPTUSUAY-MRBGQMDASA-N	542.496	2.011	30	40	KEEB	biogenic
COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC	8383646	WDQJVFMTRRXIPY-XMMPIXPASA-N	510.543	2.386	30	40	KEEB	
CC1=C/C(=C(\c2ccccc2S(=O)(=O)O)c2cc(C)c(O)c(CN(CC(=O)O)CC(=O)O)c2C)C(C)=C(CN(CC(=O)O)CC(=O)O)C1=O	150345394	RCAAHHBPFMCSEF-SXBRIOAWSA-N	700.719	2.346	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	118921980	DTUAOVYKPDCWLH-QZMPXMRISA-N	612.720	2.191	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(I)o1	408944035	GCZYUHWQSUAPHD-RXPUKQNLSA-N	584.367	2.405	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1[N+](=O)[O-]	408949626	LRNZWZWLGPRHDC-GZNYDSFXSA-N	513.507	2.115	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@@H]1C)C2=O	1547203737	OXWRNDXDRBJKSC-UFUMIAAQSA-N	596.036	2.130	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)C(/C=N\Nc2ccccc2)=N\Nc2ccccc2)cc1	104373190	CBQIYWDLSLNGTF-QONKGYHTSA-N	512.588	2.349	30	40	KEEB	
N#CC(C#N)=c1s/c(=C/c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1-c1ccc(F)cc1	3300264	USHBLGVAVQHRIM-MFKUBSTISA-N	562.604	2.346	30	40	KEEB	
C#CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944448	GNPRUJVBJNORGK-LBFCWPBRSA-N	552.584	2.228	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c1C	8934762	PAKZQOGMLPCKAS-QHCPKHFHSA-N	527.574	2.346	30	40	KEEB	
COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C(=O)c2ccccc2)[C@H](c2ccc(OC)cc2)C=3C(N)=O)cc1	101461694	KUNRWDQXJRHPSZ-GTRUEHEQSA-N	539.613	2.199	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1	102549049	CSORGSSPPMBDIA-HOGKFDNTSA-N	545.570	2.074	30	40	KEEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5cnc6c(ncn6[C@@H]6O[C@H](CO)[C@H](O)[C@@H]6O)c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C	263608109	SUSHPBOFGLYMMN-OKZORJTLSA-N	991.017	2.154	30	40	KEEB	
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@]34C(=O)N(C)c3ccccc34)ccc2O1	24147322	DAAGQVQKARDOGO-YMGMXPECSA-N	503.555	2.051	30	40	KEEB	
CSCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	150344991	CSXOSSFEQCYOIV-MNVWTMOWSA-N	662.802	2.148	30	40	KEEB	
Cc1nnnn1/N=C\c1ccc(O)c([C@H](c2ccc(O)cc2)c2cc(/C=N/n3nnnc3C)ccc2O)c1	299817093	BLUJRJMLDHEMRX-RFVITTJNSA-N	510.518	2.338	30	40	KEEB	in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)OC)c(I)c1	408958523	WESICMHOVCMFGE-CADZONQXSA-N	682.468	2.364	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC)c1OCC#N	408959166	YOEYYVLXOHAIQP-MLHDTTJXSA-N	553.572	2.118	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)OC)c(I)c1	408958526	WESICMHOVCMFGE-SOCKCTBZSA-N	682.468	2.364	30	40	KEEB	
COc1cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc([N+](=O)[O-])cc1	103429281	CSVHTVQAFYNHPE-PKAZHMFMSA-N	550.576	2.487	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1O	504095910	ACTOXUHEUCPTEW-UVIZQKBKSA-N	843.065	2.325	30	40	KEEB	
Cn1c(=O)c2c(nc(N/N=C3/C(=O)Nc4ccccc43)n2Cc2cccc(Br)c2)n(C)c1=O	8926311	NXRNBGWIZFMWSH-UHFFFAOYSA-N	508.336	2.013	30	40	KEEB	
CC(C)(F)C[C@H](NC(=c1ccc(=C2C=CC(=[S@](C)([O])=O)C=C2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1	1560410217	NRJSRTOWEFHKEM-FQEVSTJZSA-N	524.560	2.335	30	40	KEEB	
N#Cc1cccc(NC(=S)N[C@H]2CO[C@@H]3[C@@H](n4nnnc4Oc4ccc(-n5ccnc5)cc4)CO[C@H]23)c1	4147883	IWQIZYZWKMUZKZ-FNAHDJPLSA-N	515.559	2.217	30	40	KEEB	biogenic,in-vitro
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@H]1O	118931398	RAMCBZHYSSVMCY-ONRFEWEESA-N	572.699	2.175	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	408943527	FVTAKLNFFMBSIQ-KGGOQILESA-N	563.951	2.474	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)O)c(I)c1	408943562	FWKOVHOXJGPUEN-PLAWDKPFSA-N	668.441	2.275	30	40	KEEB	
C#CCOc1cccc(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408957354	STMUPXHEWGLYGY-AHFUYDSTSA-N	522.558	2.219	30	40	KEEB	
COC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1	15081195	RJQULRSKQZVKEF-NWURDMQBSA-N	518.588	2.155	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	100310297	NGMSADWUBFHKRZ-NJZRLIGZSA-N	632.730	2.177	30	40	KEEB	
C[C@@H](O)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	70692096	SYJFEZXIMZBLMC-XFSOYFLGSA-N	547.645	2.092	30	40	KEEB	biogenic
CN(C)S(=O)(=O)c1cccc(/N=C2\S[C@H](CC(=O)Nc3ccccc3)C(=O)N2CCN2CCOCC2)c1	97981966	IKUGLRDMUMYJOF-MCMRFMRISA-N	545.687	2.229	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1I	9446395	JJEHWXOAIUJGGF-VHLXVWNNSA-N	508.359	2.148	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1OCC#N	408957198	SJQMWGFGZQLRDG-AZVXSGESSA-N	523.546	2.109	30	40	KEEB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	11024165	OQUGHBWMRWLNMR-GQBRZBHCSA-N	543.525	2.211	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1755685	PKOGCGUOHFHVLU-AYWGPLOBSA-N	529.574	2.236	30	40	KEEB	
CN(C)c1nc(N/N=C/c2cc(Br)cc(Br)c2O)nc(N2CCOCC2)n1	8872856	PGGTURVCBCTFJH-DJKKODMXSA-N	501.183	2.451	30	40	KEEB	
CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O	97971143	VWNUGLZRERJQNF-HMTDIPEDSA-N	540.439	2.422	30	40	KEEB	
CC(=O)Nc1cccc(/N=C/c2ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc2C)c1	104147620	WKLOOGGQNUYHCL-XQNSMLJCSA-N	511.622	2.463	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CC(=O)CCC(=O)N[C@H]1CCCCNC1=O	118918680	YEUHPGXXCFWSLL-IREWCWRNSA-N	556.700	2.314	30	40	KEEB	
CO[C@H]1[C@@H](O)[C@@H](C)O[C@@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H]1OC	118931987	BGGIZHKHJBQRTI-JNMPNTQSSA-N	578.699	2.058	30	40	KEEB	
Cc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)o1	19994700	PWPFBQWKPVFZBE-QFIPXVFZSA-N	517.604	2.139	30	40	KEEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	38140398	WOCISCLELJFLKG-XMMPIXPASA-N	540.569	2.394	30	40	KEEB	
CCOc1cc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O	102867790	RCGJDAPAUIZFSM-HOGKFDNTSA-N	518.588	2.499	30	40	KEEB	
CO[C@@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@H]1OC(=N)O)C2=O	1082198607	KUFRQPKVAWMTJO-ZEOHICOFSA-N	616.756	2.327	30	40	KEEB	
C=CCN1C(=O)[C@@]2(NC(=O)C(O)=C2C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccccc21	16742419	IZMJBBNLPHRTPP-AREMUKBSSA-N	507.568	2.414	30	40	KEEB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	252429437	OQUGHBWMRWLNMR-NXQJYHOUSA-N	543.525	2.211	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1c[nH]cn1	70698387	HMUZKWHPGFTJTQ-KZRSSFNRSA-N	555.672	2.195	30	40	KEEB	biogenic
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874638	XMPQYQPZHGAHCE-GYHWCHFESA-N	520.658	2.452	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OCC(=O)O)cc1Br	408954140	PGSIGVPQVXMWRW-QTSCVICTSA-N	651.467	2.442	30	40	KEEB	
N#Cc1c(N2CCN(C(=O)c3ccco3)CC2)nc(N)c2c(N)nc3c(c12)CC(=O)N3Cc1cccs1	13134453	QOAFVEBLLCVLSU-UHFFFAOYSA-N	514.571	2.372	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919024	BMCVYNOMKBSIRU-IFDZOXQVSA-N	571.715	2.389	30	40	KEEB	
CCCCCCCCCC[C@@H](C)[C@@H]1CC(=O)N[C@H]([C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O1	150344766	HTPODFYRHLWACU-GNLQXBSVSA-N	888.117	2.058	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408942473	DOZPYKYDEDQZLK-WPABUHHYSA-N	655.402	2.426	30	40	KEEB	
Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(NC(=O)CC#N)cc2)cc1S(=O)(=O)N1CCOCC1	12911369	KDUMZIGQMYGKEF-KRWDZBQOSA-N	514.560	2.052	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCCCC(=O)O	70698194	WLDUSSQBJHWPJZ-HINYIVJSSA-N	559.656	2.260	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1OCC#N	408957199	SJQMWGFGZQLRDG-FTOQOJGFSA-N	523.546	2.109	30	40	KEEB	
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15936710	YBDNOVGGGQMCRY-VQTJNVASSA-N	501.590	2.047	30	40	KEEB	
CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@H]1O)C(=O)C=C1[C@@H]2CC[C@]2(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]12O	78279649	TXLUXHSVMYTTCI-FORVDKSSSA-N	522.679	2.425	30	40	KEEB	biogenic,in-vitro
COc1nc(N/N=C/c2cc(Br)cc(I)c2O)nc(N2CCOCC2)n1	408718517	UJGKABFIALZEFX-QGMBQPNBSA-N	535.140	2.236	30	40	KEEB	
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H]2CCCCN2C1=O	85546289	DYQZJCUKWTVTLH-RYIFMDQWSA-N	568.715	2.043	30	40	KEEB	biogenic,in-vitro
C=N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@H](C=O)Cc1ccccc1)C(C)C	95670555	AGPBDTZFIQXTPB-LPVZYQQFSA-N	808.981	2.398	30	40	KEEB	
COC(=O)[C@]1(O)C2=C(C(=O)[C@H](C)C[C@H](C)CC(C)=C[C@H](C)CC[C@H]3O[C@H]2[C@H](C)[C@H](O)[C@@H]3C)[C@@H](O)C(=O)[C@]1(C)O	1772591206	LLGFOLGDQFBWGQ-CWMFGQOXSA-N	550.689	2.280	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1	2283264	OQVIMCAJDAKPPI-RKKARLDVSA-N	501.564	2.320	30	40	KEEB	
CCN1C[C@@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@H]32)[C@@H]14)[C@@]5(O)[C@H]6OC	140798276	ILNXJLNWARWHMD-ZLWSRITASA-N	600.709	2.153	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(O)cc1O	408947589	JJHCJXRAFXHNRT-XEDHFCPRSA-N	579.404	2.381	30	40	KEEB	
CC(C)C1=CC(=O)[C@@](C)([C@@H]2[C@@H](O)C[C@]3(C)[C@H]4CC=C5[C@H](CC[C@H](O[C@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@H]6O)C5(C)C)[C@@]4(C)C(=O)C[C@@]23C)O1	1529054954	WPXIIGGPWPYUSJ-DKUXSPSVSA-N	762.934	2.315	30	40	KEEB	
CC1(C)CC(=O)C(=CNCCN2CCN([C@@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)C(=O)C1	100153791	WZORBHYROOBBTP-HXUWFJFHSA-N	504.990	2.160	30	40	KEEB	
C=CC(C)(C)OC[C@H]1O[C@@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)C=C3[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2332242347	IEYDDQSCFAJEQD-NZSXBRSHSA-N	638.795	2.037	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1F	9358531	CZGZDQGLTAPRFZ-OAQYLSRUSA-N	504.536	2.071	30	40	KEEB	
Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N	16043463	JMEPDQNGJPDHJL-UJAVWCLSSA-N	507.912	2.180	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	98047026	UGQLHUIISQZFDQ-XMMPIXPASA-N	620.522	2.381	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccc(OC(C)=O)cc1	408948084	KCZWHFKMZQHNKV-VZOVANTCSA-N	526.546	2.132	30	40	KEEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc([N+](=O)[O-])ccc1OCC(=O)N1CCOCC1	409292115	SBVTTXBEIKVWOR-UHFFFAOYSA-N	530.335	2.495	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C	102932054	WDUDWKVBKQFLKE-BUANBSPESA-N	557.600	2.198	30	40	KEEB	
CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C=C(C2=O)[C@H](OC)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)C=C(C)[C@@H]1OC(N)=O	253664637	DWFFHRSGCPBMKD-UKHYHDJGSA-N	560.644	2.059	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(O)cc1O	408947585	JJHCJXRAFXHNRT-BKYYFFAYSA-N	579.404	2.381	30	40	KEEB	
COc1ccc(NC(=O)C[C@@H]2S/C(=N\N=C(/C)c3ccc(S(=O)(=O)N4CCOCC4)cc3)NC2=O)cc1	102922467	FVCWIVJMKDPURZ-WTFDWONZSA-N	545.643	2.057	30	40	KEEB	
C/C(=N/N=C1\NC(=O)C[C@H](C(=O)NCCc2ccc(S(N)(=O)=O)cc2)S1)c1ccc(Br)s1	100640175	YYMFOLJWDSWICH-BHVZIVLHSA-N	558.505	2.219	30	40	KEEB	
CC(=O)O[C@H]1CC[C@]2(COS(C)(=O)=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1	118929091	OXBITJFIYMNVNH-OEGUFJPJSA-N	526.648	2.246	30	40	KEEB	
C=C1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H]([C@@H](C)[C@H](O)CCCCCCCCC)OC1=O	2332243421	UXKCXDWPRRDYKU-CCQSDVTESA-N	539.714	2.322	30	40	KEEB	
COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70696881	ZGNCRRCTXKKIPY-FEUKDRPYSA-N	573.683	2.277	30	40	KEEB	biogenic
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N\c2ccc3oc(=O)ccc3c2)cc1	100491020	IQUYRTCVGLAKOT-KQWNVCNZSA-N	508.574	2.302	30	40	KEEB	
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(OS(C)(=O)=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C[C@H]2c3cccc4[nH]cc(c34)C[C@H]21	97957597	ZOZUFVUTVAZUDP-XNNNRPJFSA-N	661.781	2.065	30	40	KEEB	in-vitro
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)CC=CC=C[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O	1548337548	IEMDOFXTVAPVLX-JZQSNFSCSA-N	785.969	2.443	30	40	KEEB	
NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccc(Br)o2)CC1	59488658	REUGZWHBUIYIBT-KEBDBYFISA-N	500.331	2.282	30	40	KEEB	
CCOc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1	98047946	IWHZPCZOONVCJY-SANMLTNESA-N	585.679	2.017	30	40	KEEB	
O=C1N[C@@H](Cc2ccccc2)C(=O)N2CCCC[C@@H]2C(=O)N[C@@H](CCCCCC(=O)[C@@H]2CO2)C(=O)N[C@H]1Cc1ccccc1	3925361	GXVXXETYXSPSOA-UFEOFEBPSA-N	602.732	2.239	30	40	KEEB	in-vivo
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@H](C)[C@H]2O	8585933	DRYDKQOPVBDZMQ-JKTHDUNSSA-N	638.578	2.164	30	40	KEEB	biogenic,in-vitro
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	102925979	XTFYYQYUMMZCFF-IAMBOQNYSA-N	526.546	2.470	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)C(C)=C[C@]1(C)O	1570005690	GVPDZXPAAWSLFA-DIGMNFHXSA-N	571.752	2.464	30	40	KEEB	
CCOc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCOC)ccc1O	9089209	KCHLCONIRJCFCC-OAQYLSRUSA-N	504.561	2.266	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)C(=NO)[C@H](C)[C@@H](O)[C@@]1(C)O	306146617	KYTWXIARANQMCA-IDNKWVCMSA-N	748.952	2.047	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccccc1OC(C)=O	408958521	WDZUANHQJAHGEI-VZOVANTCSA-N	526.546	2.132	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	118917068	XQCGNURMLWFQJR-PNBPPUHKSA-N	548.673	2.433	30	40	KEEB	
COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118922036	IZTYADBPMXUWSF-FLLXLAFOSA-N	571.667	2.053	30	40	KEEB	
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc1	199478733	CDUMUQCIIJFQPK-UHFFFAOYSA-N	579.709	2.325	30	40	KEEB	
COc1ccc(CCN(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC	1570001155	PMBMAYXZKGXGNE-BCPYLQOZSA-N	616.708	2.355	30	40	KEEB	
C=C[C@](C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O	67911888	CNQSCAAZMOPGOT-SBNRZJFASA-N	598.601	2.306	30	40	KEEB	biogenic,in-vitro
CCCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046825	XEIBRNGFNOGWTL-LJAQVGFWSA-N	533.581	2.279	30	40	KEEB	
C=C[C@](C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O	67911879	CNQSCAAZMOPGOT-IQQQYXOSSA-N	598.601	2.306	30	40	KEEB	biogenic,in-vitro
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccc([N+](=O)[O-])cc1	408725378	OJQVTJKHRHCZGX-YZSQISJMSA-N	534.533	2.118	30	40	KEEB	
COc1ccc(OC[C@@H](O)Cn2c(N/N=C/c3cccc(Br)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1	100364957	XCKPLGLGYBFTQF-HDDDNDSPSA-N	543.378	2.080	30	40	KEEB	
COCCc1noc(CCN/C=C2\C(=O)C[C@@H](C)[C@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)C2=O)n1	1547138483	BCLRRDGOINTCRU-UKWRTHRBSA-N	519.938	2.137	30	40	KEEB	
Cc1ccc(S(=O)(=O)N/N=C(\c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	8653578	CTUJTVKFFGNKOR-UHOJPZGPSA-N	538.498	2.464	30	40	KEEB	
Cc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCN(C)C)cc1	16742418	APCLOWQNDKXFNU-HSZRJFAPSA-N	513.616	2.156	30	40	KEEB	
Cc1ccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1	17527680	CFYDFSITTUJBKG-UHFFFAOYSA-N	550.659	2.096	30	40	KEEB	
C[C@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)NC1(C#N)CCCCC1	32945142	DJEQUHDTROWGES-KRWDZBQOSA-N	505.593	2.133	30	40	KEEB	
CCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OCC(=O)OC)[C@H]1NC(C)=O	245266094	IKWOZRCTQUEKNN-SAKKWRDPSA-N	503.589	2.036	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c1OCO2	85413320	NVFXIMYCWXAHDK-QFIPXVFZSA-N	510.499	2.063	30	40	KEEB	
CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])cc(I)c2O)cc1	1614310	TWWWBXITETWBBN-CAOOACKPSA-N	504.262	2.176	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCc3noc([C@H]4CCC(=O)N4)n3)C[C@H]1C)C2=O	604404127	KAHHMZOYJTZOQM-HIBRMCEJSA-N	502.911	2.288	30	40	KEEB	biogenic
O=C(Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1F	38152205	ZVNWEBQWNXFEMD-UHFFFAOYSA-N	538.623	2.350	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118935048	BMCVYNOMKBSIRU-SRTFMOHQSA-N	571.715	2.389	30	40	KEEB	
CCCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046794	PNZQDQAZEJHKAX-SSEXGKCCSA-N	596.706	2.148	30	40	KEEB	
CCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OCC(=O)OC)[C@@H]1NC(C)=O	247841339	OCKSWIMTTYRVGW-JHKALWOVSA-N	517.616	2.426	30	40	KEEB	biogenic
Cc1ccc(NC(=O)COC(=O)c2ccc(/C=N\Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	409204964	MNKMIBVIGBZIOY-MIXAMLLLSA-N	560.615	2.095	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	257345345	LGGWIFCVDQIBES-RFIYUTENSA-N	559.524	2.081	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(OC)cc1	38140080	UQJGCNYYTOZFMH-QHCPKHFHSA-N	530.599	2.331	30	40	KEEB	
COc1c(I)cc(I)cc1/C=N/Nc1nc(N(C)C)nc(N2CCOCC2)n1	100036891	TZVHMNHEOIWVEM-KEBDBYFISA-N	609.210	2.438	30	40	KEEB	
CCN1C[C@@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@H]2OC	249688686	ILNXJLNWARWHMD-BHAPDACTSA-N	600.709	2.153	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	6906813	JVLNDQJVMAHAPC-WPWMEQJKSA-N	564.559	2.127	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc([N+](=O)[O-])cc1	408957408	SWWDNQZHUHMNJQ-NBBJKDIKSA-N	513.507	2.115	30	40	KEEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874688	WPNJTFRGDURBPI-PHLKBOCDSA-N	550.684	2.075	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1	408954094	PESNBYPXWBTOCT-PRJANPOJSA-N	698.467	2.284	30	40	KEEB	
COC[C@@H]1O[C@H](O[C@H]2C3=C(C(C)C)CC[C@@]3(C)C=C3[C@@H](CC[C@]3(O)COC)[C@H](C)[C@H]2O)[C@H](O)[C@H]2O[C@@H]3O[C@]12O[C@]3(C)[C@@H]1CO1	73417939	SMQRKTIIIYTOTN-FQSJPQJTSA-N	622.752	2.207	30	40	KEEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@]12C(=O)N(C)c1ccccc12	98046903	WZKBOSXJKRABPI-MUUNZHRXSA-N	552.653	2.132	30	40	KEEB	
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1	255962014	AFZFFLVORLEPPO-PFRIVRJKSA-N	620.735	2.298	30	40	KEEB	
C=CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	72191550	SLBVEISHIFRYFQ-LJQANCHMSA-N	511.560	2.365	30	40	KEEB	
CN1C(=O)C(=Cc2cc(I)c(OCC#N)c(I)c2)C(=O)N(C)C1=S	103856508	FKZKCTGWFKDILV-UHFFFAOYSA-N	567.146	2.397	30	40	KEEB	
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CS[C@@H]12)c1csc(N)n1	59660403	AFZFFLVORLEPPO-OWVITTRRSA-N	620.735	2.298	30	40	KEEB	in-vitro
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c2c1OCO2	100255775	SSVVVZWYOZVHDI-JOCHJYFZSA-N	554.552	2.114	30	40	KEEB	
C=CCNC(=O)NC(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	12542881	XLKAJQJFBXVKIY-UHFFFAOYSA-N	511.906	2.315	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	22801843	BKFYIZLRTHFTNH-DPZCDSNDSA-N	516.679	2.102	30	40	KEEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@]23C(=O)N(C)c2ccccc23)cc1C	24147264	XQROHBSYWDSDHF-MUUNZHRXSA-N	505.571	2.435	30	40	KEEB	
O=[N+]([O-])c1ccc(COc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1	8872353	OLLSNGZOBPFNKE-YZSQISJMSA-N	520.550	2.478	30	40	KEEB	
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)cc1OC	100255209	CQQIPTZAYBKSMG-JOCHJYFZSA-N	556.568	2.360	30	40	KEEB	
COc1c2c(cc3c1[C@H](C#CCOc1ccc(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc1)N(C)CC3)OCO2	20113423	BPIXAXMKIBJQLE-NRFANRHFSA-N	517.538	2.469	30	40	KEEB	biogenic
CCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OCC(=O)OC)[C@H]1NC(C)=O	247841347	OCKSWIMTTYRVGW-VCXBPWIGSA-N	517.616	2.426	30	40	KEEB	biogenic
C#CCOc1ccccc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959469	ZUPUUHSWNGHNPJ-YGCYWOBVSA-N	522.558	2.219	30	40	KEEB	
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CC#CCN1CCN(CC#CCN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)CC1)C2=O	19372109	BCGSWEBHVBXHSR-WMMUPMAMSA-N	548.728	2.233	30	40	KEEB	
C#CCOc1cccc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408957357	STMUPXHEWGLYGY-YGCYWOBVSA-N	522.558	2.219	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(NC(C)=O)cc1	408958887	XGMOHCITHAAQBJ-GSJUJJHQSA-N	525.562	2.166	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1I	9446397	JJEHWXOAIUJGGF-YHCMSDNUSA-N	508.359	2.148	30	40	KEEB	
CCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CC/N=C/C4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1	101477509	PYZGAFABTPGNIH-TWDAMHRMSA-N	510.635	2.370	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(OC)c(OC)c1	102575686	DSFWETPBEWHEPE-HOGKFDNTSA-N	518.588	2.412	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	263596436	FQVHOULQCKDUCY-DWVSUGLOSA-N	841.989	2.433	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O	245205014	KYTWXIARANQMCA-MEOGKRBFSA-N	748.952	2.047	30	40	KEEB	
NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2N/N=C/c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1	100421757	PNHZVOHPFXJNPA-MFKUBSTISA-N	545.578	2.435	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1	408950647	MKNFMAVTTVIRSV-DHYSAPCYSA-N	712.494	2.372	30	40	KEEB	
C=CCOC(=O)[C@H]1O[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)[C@H](O)[C@@H](O)[C@H]1O	44963143	WNQJKISLWOVAQH-SALXWAHTSA-N	512.342	2.360	30	40	KEEB	in-vitro
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(OC)c2)C(=O)NC1=S	408902903	NIIJIKIQCLSDAG-KPKJPENVSA-N	530.340	2.054	30	40	KEEB	
COc1ccc(-c2c(C#N)c(N)n([C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540511	FDFMLBCOUKQNGT-FSZFSWJXSA-N	612.617	2.474	30	40	KEEB	
CON=C(C(=O)N[C@H]1[C]2SCC(/C=C/c3scnc3C)=C(C(=O)OCOC(=O)C(C)(C)C)N2C1=O)c1csc(N)n1	1560407690	SKXIIHGFBIVPSZ-SGSGXPTHSA-N	619.727	2.462	30	40	KEEB	
CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C(=O)OC)[C@H](c2ccc(OCC)cc2)C=3C#N)cc1	989073	SVXGVTHXOZYKKR-ZPWPBLDLSA-N	503.580	2.308	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1	9413857	LEFPRLLLLDGNGN-OAQYLSRUSA-N	504.536	2.071	30	40	KEEB	
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@]23C(=O)N(C)c2ccccc23)cc1	24147838	SARDPDUZFHLKMJ-NDEPHWFRSA-N	503.555	2.293	30	40	KEEB	
CO[C@H]1C[C@@H](C)CC2=C(O)C(=O)C=C(NC(=O)/C(C)=C\C=C/[C@@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@@H](C)[C@H]1O)C2=O	104188632	KKZJVQQMUCBLHR-MOZYDCNNSA-N	546.617	2.320	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1OCC#N	408957201	SJQMWGFGZQLRDG-LRKSHOOESA-N	523.546	2.109	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	8897375	TXRSMIDTYNBPDM-OAQYLSRUSA-N	512.519	2.237	30	40	KEEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)/C=C\C=C(\C)C(=O)NC(=C(/C=N\N3CCOCC3)C1=O)C2=O	150388503	NBLSLHGULNLUQD-WDJMUUASSA-N	672.776	2.097	30	40	KEEB	
C[C@H]1CCc2c(sc(NC(=O)CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)c2C#N)C1	34852453	RGQQSNMLVFNOQZ-INIZCTEOSA-N	516.645	2.461	30	40	KEEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257198716	HALDTNRHXOYUHF-ICYCIYRRSA-N	621.797	2.053	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@H](CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547139471	QQJQMNHBQJRTGY-VJDHEZKTSA-N	753.161	2.215	30	40	KEEB	biogenic
CCOC(=O)COc1cccc(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408942089	DMFIWHJJDOLTPD-NOWBDZBYSA-N	570.599	2.149	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408942470	DOZPYKYDEDQZLK-UYULMDJUSA-N	655.402	2.426	30	40	KEEB	
COc1ccc(CCN(CCC[C@@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC	1570001156	PMBMAYXZKGXGNE-CAGPNDQPSA-N	616.708	2.355	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	261494546	LPLVUJXQOOQHMX-IVDUGQBVSA-N	822.942	2.246	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(N3CC(C(=O)NCCc4nc(C)no4)C3)C[C@H]1C)C2=O	1547139028	ABNPAHUMOANOMP-YDBLSZJJSA-N	530.965	2.146	30	40	KEEB	biogenic
Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nn([C@@H]2C/C(=N/NC(N)=S)[C@H]3OC[C@@H]2O3)c1=S	20598166	UAIBFOYGYOEOSD-NMFYCREYSA-N	521.628	2.343	30	40	KEEB	
CN(C)c1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2ccc(Br)cc2)cc1	97966565	FGBUZNNYXYTZEG-XIMCHAMWSA-N	556.421	2.138	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	252286872	RXZBMPWDPOLZGW-FGXRPZMUSA-N	837.058	2.210	30	40	KEEB	
C#CCOc1c(I)cc(/C=C2/NC(=O)N(C)C2=O)cc1I	409196005	YEFSJUFGOSTRFG-YRNVUSSQSA-N	508.053	2.430	30	40	KEEB	
CCCCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046808	DMOOFYZMHJHHEP-MUUNZHRXSA-N	554.669	2.378	30	40	KEEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317897	DMKLFHSAMJNWNC-QURIBOAPSA-N	551.428	2.417	30	40	KEEB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C	263583469	LPLVUJXQOOQHMX-OPEAFZANSA-N	822.942	2.246	30	40	KEEB	biogenic,in-vitro
C=C1C(=O)[C@]23[C@@H]([C@@H](OC(C)=O)C[C@]1(O)[C@@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	100359603	OICJJPULPAOUPO-QWVZRUOXSA-N	534.602	2.436	30	40	KEEB	
C=C1[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	100841042	FWGNBGZFRILNEL-FGZHOGPDSA-N	606.646	2.248	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC(C)=O)c1	408951174	MUMGIXYFMRMKSO-YAIIYLDSSA-N	526.546	2.132	30	40	KEEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046821	XRFADWMYTPWEQF-MUUNZHRXSA-N	552.653	2.154	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1cccs1	2673144	GUBJGKYTILGSJD-LCPUNJGISA-N	505.577	2.289	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(I)c(O)c(I)c2)C(=O)NC1=S	408903623	UUSBZFCCKSOFCY-XBXARRHUSA-N	540.120	2.414	30	40	KEEB	
CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@@]13[C@@H]2CC[C@@]1(C)[C@H](c2ccoc2)OC(=O)C[C@@H]31	67911532	FZBGZDZLYSLJFE-FMCATAJXSA-N	574.623	2.270	30	40	KEEB	biogenic,in-vitro
C=C1C(=O)[C@]23C[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@@H](OC(C)=O)C[C@H](OC(C)=O)C(C)(C)[C@H]1C[C@@H]3OC(C)=O	100058673	UHAGZLPOLNCLEQ-LZHSZMFSSA-N	534.602	2.292	30	40	KEEB	biogenic
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)CCCC)cc2)sc2cc(S(N)(=O)=O)ccc21	100875765	HKHIYAUFYVDQTA-GYHWCHFESA-N	520.658	2.145	30	40	KEEB	
O=C(c1ccc(/N=C2/N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15936707	YBDNOVGGGQMCRY-UXHICEINSA-N	501.590	2.047	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(N(C)C)cc1	408945802	HUCVQHWFJMEZEK-BEQIRNJDSA-N	511.579	2.273	30	40	KEEB	
C=C1[C@@H](O)[C@@H]2C=CC[C@H](C)C(=O)[C@](C)(O)[C@@H]3O[C@H]3[C@@H](OC(C)=O)[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@@H]3[C@@H]1C	1082881198	WHJRAYUHVRYTTH-YEPRERFPSA-N	523.626	2.128	30	40	KEEB	biogenic
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)c1	85412644	ZMJAEOLDJJKDNE-OAQYLSRUSA-N	526.542	2.352	30	40	KEEB	
COc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN(C)C)cc1	102584259	CEMHWAWCLGRXKO-DEOSSOPVSA-N	543.642	2.246	30	40	KEEB	
CCOc1cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OCC(=O)N1CCOCC1	409206075	HHJVUBSFJMEBBX-IMRQLAEWSA-N	524.626	2.154	30	40	KEEB	
Cn1cnnc1Sc1ccc(/C=c2/s/c(=C(\C#N)C(=O)N3CCCC3)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	97981738	HZKIUNGKOFCNRA-WAFZPUJNSA-N	559.633	2.212	30	40	KEEB	
C=CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	101027198	LTGYNQGWYVOCFI-GDLZYMKVSA-N	564.664	2.298	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(O)c(OC)c1	102800705	ZFYITBZHZJDTQA-MRJHHRETSA-N	504.561	2.109	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)c1C	102859747	MLOYRUZPLZOBGL-HFEWCJDKSA-N	527.574	2.189	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1	408950644	MKNFMAVTTVIRSV-CRNNCATQSA-N	712.494	2.372	30	40	KEEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408956950	RXIZMFCMKDFMLU-HOCPYKBASA-N	522.558	2.219	30	40	KEEB	
O=C(O)COCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311720	DMOSJUMDMUXBJZ-NVZGOQJLSA-N	520.429	2.427	30	40	KEEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118919139	WHWHVMRMOGUQKX-VZCLIRHESA-N	531.650	2.477	30	40	KEEB	
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCC(=O)OC(C)(C)C)cc1	214945689	OIPLDSHYHFUPLX-UHFFFAOYSA-N	550.667	2.142	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)O	70692231	OZYIJRBLAGRFLQ-VUEPXDBOSA-N	559.656	2.188	30	40	KEEB	biogenic
COCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	13786095	WLGSTPWOYXIGIL-HXUWFJFHSA-N	502.575	2.441	30	40	KEEB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@@]21C	263583470	LPLVUJXQOOQHMX-RNVKLSJWSA-N	822.942	2.246	30	40	KEEB	biogenic,in-vitro
CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	102518466	DVZDRFUMCKHWHX-MOBKVPTQSA-N	534.034	2.344	30	40	KEEB	
C=CCOc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)C(=O)N2CCOC)cc1	102885954	FMVGCSJZTRZQCC-NXLSWJSLSA-N	542.610	2.340	30	40	KEEB	
C=CCn1c(=O)/c(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)s/c1=C(\C#N)C(=O)NCCCOCC	105753927	GWMITFVNWQXPEN-AJJTYKGQSA-N	540.649	2.389	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875703	VBNYAPKXNBYYNX-LDWQWDCMSA-N	532.669	2.145	30	40	KEEB	
CCOc1cc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCOC)ccc1O	102867794	RCGJDAPAUIZFSM-MOBKVPTQSA-N	518.588	2.499	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	123330684	XQCGNURMLWFQJR-PGJCTKCXSA-N	548.673	2.433	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@]13C(=C(O)[C@H]4[C@H](O)[C@H]1[C@H]1[C@@H](O)[C@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@@]341)C2=O	257508396	OYNIPTDPTUSUAY-INCRWHQGSA-N	542.496	2.011	30	40	KEEB	biogenic,in-vitro
COc1cccc(NN=C(C(=O)NS(=O)(=O)c2ccc(C)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)c1	8694649	KIXZEQDZCHFDAO-UHFFFAOYSA-N	544.611	2.090	30	40	KEEB	
CO[C@@H]1[C@@H](O)[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@H]3C2)O[C@H](C)[C@H]1O	263584306	PMTSPAGBAFCORP-OMBHJEGLSA-N	548.673	2.289	30	40	KEEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(Br)c(Br)c1OCC(N)=O	409357490	QMIVTMBGQLDIHP-UHFFFAOYSA-N	526.141	2.382	30	40	KEEB	
COc1ccc(CC(=O)/N=C2/S[C@@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc3c(c2)OCO3)cc1OC	32507865	ZBKVJANXBCZECQ-FBFZLIENSA-N	504.586	2.272	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCCO)[C@@H]1c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	98047311	XDCNROJKYNWHME-OAQYLSRUSA-N	565.442	2.431	30	40	KEEB	
CC(=O)O[C@@H]1C[C@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]2(C)C[C@@H]1O	255272299	UWFCFVQTAHITKV-OQQOFWQASA-N	522.679	2.425	30	40	KEEB	biogenic,in-vitro
COC(=O)[C@H](C)Oc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409404836	MMBZJXGKBUVOHC-KMNSEVKQSA-N	524.311	2.381	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCC(=O)Nc3ccc(C(N)=O)cc3)C(=O)C[C@H]1C)C2=O	1547139547	SPIVVOAKEJQELO-VBIFXUILSA-N	541.944	2.060	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@@H]1O	1548337550	IEMDOFXTVAPVLX-VRCQERGBSA-N	785.969	2.443	30	40	KEEB	
COC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OC)[C@@H]1c1ccc(OC)cc1	36556634	RJQULRSKQZVKEF-IBFJVYROSA-N	518.588	2.155	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	102860244	PZZYOXYCJHSFHS-PGVNHDJNSA-N	512.519	2.080	30	40	KEEB	
C=C1C[C@@H]2[C@@]3(C)[C@@H]([C@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@H]2C(=O)O[C@@H](C)C(=O)[C@@]12C)C(C)(C)OC(=O)C[C@H]3OC(C)=O	247977101	VPQXGRQIXIAIQO-LOGHFCENSA-N	534.602	2.292	30	40	KEEB	biogenic,in-vitro
COC1=C(OC)[C@H]([C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)OC1=O	68562249	SZCDDOBRSONPHY-OALUTQOASA-N	512.558	2.213	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408942468	DOZPYKYDEDQZLK-KGGOQILESA-N	655.402	2.426	30	40	KEEB	
COc1ccc(/C(C)=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@H](O)COc2ccccc2C)cc1	12437125	WOEKLIWWZBUCMO-XTFCHBONSA-N	506.563	2.027	30	40	KEEB	
COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C	70692125	KGCYEHKRMXHVDC-KTQBOELNSA-N	571.667	2.485	30	40	KEEB	biogenic
CCOC(=O)COc1c(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944072	GGCODLQXPUVRPN-VECYJOOGSA-N	600.625	2.158	30	40	KEEB	
C/C(=N\OCC(=O)O[C@@H](C)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1C)c1ccc2c(c1)OCO2	12881362	OCSMQVFUWUPZGX-JZCUADNKSA-N	505.549	2.285	30	40	KEEB	
COCCNS(=O)(=O)c1ccc2c(c1)C(=NNc1ccccc1)c1cc(S(=O)(=O)NCCOC)ccc1-2	102085500	XJXOHNQTNNYNNH-UHFFFAOYSA-N	544.655	2.381	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)ccc2OC)c1C	102483474	BSNCVOJKEWBKBG-BUANBSPESA-N	527.574	2.189	30	40	KEEB	
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)[C@H]2CO2)NC(=O)[C@@H]2CCCCN2C1=O	60183247	DYQZJCUKWTVTLH-LRDHLHFSSA-N	568.715	2.043	30	40	KEEB	biogenic,in-vitro
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1	101317899	DMKLFHSAMJNWNC-LFCDXNAJSA-N	551.428	2.417	30	40	KEEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@]12C(=O)N(CC)c1ccccc12	97939526	IYLMEWFVRFHBAY-NDEPHWFRSA-N	554.669	2.378	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875650	QCDZNIUVQDAWHD-PBPKIEIKSA-N	546.696	2.391	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc([N+](=O)[O-])ccc1N(C)C	408943447	FSVFKRQNWNUPQS-YNMPAXSUSA-N	556.576	2.181	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1ccccc1OC(C)=O	408958519	WDZUANHQJAHGEI-AHEQEGGASA-N	526.546	2.132	30	40	KEEB	
NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(F)(F)F	97982664	HPULWRPAJNAVNM-UHFFFAOYSA-N	537.520	2.242	30	40	KEEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118919140	WHWHVMRMOGUQKX-XAUYTHINSA-N	531.650	2.477	30	40	KEEB	
COC(=O)CCC(=N/C(O)=C(/CC(=O)OC)NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N/C(CC(=O)OC)=C(/[O])CF)C(C)C	1560411775	ZTKMMOBMICIEOX-UORNOFLZSA-N	665.648	2.029	30	40	KEEB	
CC(C)OC[C@@H](O)Cn1c(N/N=C/C(Br)=C/c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C	863219	CKJYQBGUVAJYCR-YYHOZUQHSA-N	505.373	2.043	30	40	KEEB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	96319491	LPLVUJXQOOQHMX-MOGLOQIBSA-N	822.942	2.246	30	40	KEEB	biogenic,in-man
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@@]31CO1	1073349413	NSFWWJIQIKBZMJ-XCORKKIVSA-N	532.630	2.393	30	40	KEEB	biogenic
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C\c2ccc(OC(F)F)cc2)c(=O)n1-c1ccc(Cl)cc1	97981768	WBMGYBHOVQWDME-DZLBOJMASA-N	561.010	2.105	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)O)c(I)c2)C(=O)NC1=S	408902791	LHCKUDDFPRPEBD-RUDMXATFSA-N	551.156	2.330	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	8897393	NHCSFMANYHDIDX-NRFANRHFSA-N	512.519	2.237	30	40	KEEB	
Cc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(C)n1-c1ccc(OCC(=O)N2CCOCC2)cc1	409405424	HAHBPAFBLVAFRC-WJQBNGMASA-N	502.571	2.473	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1)n2C[C@@H](O)COc1ccc(Br)cc1	8809373	YGGIJUWPERFGDZ-JKHIYUEESA-N	513.352	2.072	30	40	KEEB	
c1ccc2c(c1)n(C[C@@H]1CO1)c(CCCCc1n(C[C@@H]3CO3)c3ccccc3[n+]1C[C@H]1CO1)[n+]2C[C@H]1CO1	100707410	LTBIBAOORDTRQL-WAPCQROESA-N	516.642	2.332	30	40	KEEB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@@H]1O	135629714	RAMCBZHYSSVMCY-DYMQEBDESA-N	572.699	2.175	30	40	KEEB	
C#CCOc1ccccc1/C=N\N[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959468	ZUPUUHSWNGHNPJ-SYUGGXAZSA-N	522.558	2.219	30	40	KEEB	
C#CCOc1c(Cl)cc(C(c2c(O)n(C)c(=S)n(C)c2=O)c2c(O)n(C)c(=S)n(C)c2=O)cc1OC	409096826	LFUPQSREWMNXTL-UHFFFAOYSA-N	551.046	2.485	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@H](O[C@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@@]12O[C@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C	38151491	WOWOEXHOMMENAS-ZHJCCBBISA-N	587.754	2.210	30	40	KEEB	
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)C1	103041289	LDYAHFULZKJBIR-PMACEKPBSA-N	530.672	2.372	30	40	KEEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)/C=C/C=C(/C)C(=O)NC(=C(/C=N\N(C)C)C1=O)C2=O	104188658	CWGFPMGPQDJKNJ-PKYDHPSUSA-N	630.739	2.326	30	40	KEEB	
CCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	104211937	RKXFARRTYWTTSH-FCIXZNIRSA-N	519.555	2.449	30	40	KEEB	
C=C1C(=O)O[C@H]2C[C@@H](C)[C@]3(O)C=C(C(C)=O)[C@]4(O[C@H]3C[C@@H]12)C(=O)O[C@@H]1C[C@H](C)[C@@]2(/C=C/C(C)=O)O[C@H]2C[C@@H]14	1529054941	SWQFFFCGVOKUSC-UKWWBPSVSA-N	526.582	2.153	30	40	KEEB	
COC(=O)[C@H]1[C@@H](O)[C@H](C)[C@@H](O)[C@@](C)(O)C=C(C)C2=C3C(=C(C)C(=O)c4c(O)c(c(C)c(OC(C)=O)c43)NC(=O)C(C)=CC=C[C@@](C)(O)[C@@H](O)[C@@H](C)[C@H]1O)OCO2	254201701	VFWVBAYZDJRDPD-BCRBPORZSA-N	785.840	2.220	30	40	KEEB	
CC(=NC(O)=c1c(N)nn2c1=NC=C[CH]2)c1cc2cccc(C#Cc3cnn(C)c3)c2c(=O)n1-c1ccccc1	1560404564	DPHXCQVROBJJIR-UHFFFAOYSA-N	527.568	2.192	30	40	KEEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118919142	WHWHVMRMOGUQKX-HUVFCKCXSA-N	531.650	2.477	30	40	KEEB	
C=C1[C@]2(CCC(=O)OC2(C)C)C[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@]13O[C@]14C(=O)O[C@@](C)(C(=O)[C@@]12C(=O)O[C@@H]4C)[C@H]3OC(C)=O	253390610	PUNXZEDIXYLVKL-KZTONWMISA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
CC(=O)NCSC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)ON1C(=O)CCC1=O	100497564	LKULFXHPZSDOLA-OAQYLSRUSA-N	511.556	2.328	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1	102532945	SISGNEIXWVTLFV-MOBKVPTQSA-N	534.034	2.344	30	40	KEEB	
Cc1ccc(C)c(-n2c(=O)/c(=C\c3ccc(OC(F)F)cc3)s/c2=C(/C#N)C(=O)NCCN2CCOCC2)c1	102963929	PJDRKQFAHDZHEH-HVVAQQKNSA-N	554.619	2.069	30	40	KEEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](OC(N)=O)[C@H](OC)/C=C\C=C(\C)C(=O)NC(=C(/C=N\N(C)C)C1=O)C2=O	104188650	CWGFPMGPQDJKNJ-BTZVHOACSA-N	630.739	2.326	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])c(OC)cc1OC	408944556	GUBJYRLOWMUVML-TZZDNGDJSA-N	573.559	2.133	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958451	VVNIGVXGTAWOOC-FSJZUKHPSA-N	600.625	2.158	30	40	KEEB	
O=[N+]([O-])c1ccc(Nc2nc(N/N=C\c3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCOCC3)n2)cc1	8872884	DDBBBZZZICYXRG-JJFYIABZSA-N	509.439	2.443	30	40	KEEB	
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692180	LNEUAHGGGCFWPJ-DLEUBLRBSA-N	561.672	2.338	30	40	KEEB	biogenic
CC(C)C[C@H](NC(=O)[C@H](N)CCC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O	95550171	DYVHVMLSWFNVIT-WNQXLSPZSA-N	771.868	2.405	30	40	KEEB	
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)N1CCC[C@@H]1C(=O)O	150344864	OBKXXOQKGPZOES-NZKFXDKGSA-N	658.789	2.329	30	40	KEEB	
C=C1C[C@H]2[C@@](C)([C@@H]3C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]13C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H](O)[C@]12C	248330058	FFXYBQSGDXRLHS-OZTNJUCUSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
CN/N=C(\c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc([C@@H](O)/C(=N/NC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	28099918	JNUXSNRWICAODT-XJKUVVHUSA-N	628.562	2.115	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccccc1[N+](=O)[O-]	408949618	LRNZWZWLGPRHDC-DEHLXGDFSA-N	513.507	2.115	30	40	KEEB	
N#CCN1CCC[C@@H](c2cccc(Nc3nc(C(=O)N4CCN(C(=O)N5CCOCC5)CC4)cs3)n2)C1	585292970	BHWCOJAGIQRYCD-LJQANCHMSA-N	524.651	2.195	30	40	KEEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408920552	JZBHPSDANZTXBG-VVOOWDFBSA-N	503.536	2.429	30	40	KEEB	
COc1cc2c(C#N)c(N3CCN(S(=O)(=O)c4ccccc4C(F)(F)F)CC3)nc(N)c2c(N)n1	25387174	LLNUDGPEVUSURC-UHFFFAOYSA-N	507.498	2.204	30	40	KEEB	
COc1cc(C(=O)NCCC(=O)N[C@@H](Cc2ccccc2)C(=O)O/N=C(\N)c2cccs2)cc(OC)c1OC	97947520	COXAFQDOAXLTIE-IBGZPJMESA-N	554.625	2.485	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	150402893	XGPZAUVGPYBEHV-WIGPAJRQSA-N	682.723	2.403	30	40	KEEB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1	1534684209	NSFWWJIQIKBZMJ-PRICDRLYSA-N	532.630	2.393	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1)n2C[C@H](O)COc1ccc(Br)cc1	8809487	YGGIJUWPERFGDZ-PZLKWIMZSA-N	513.352	2.072	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	150402914	VQJREPKBHCUTJQ-FWMMNRQESA-N	655.741	2.424	30	40	KEEB	
O=[N+]([O-])c1cc(/C=N\N=c2[nH]c3nonc3[nH]c2=Nc2ccc(Br)cc2)c(O)c([N+](=O)[O-])c1	408721470	RDPRQCSOGAWLMR-GXHLCREISA-N	516.228	2.331	30	40	KEEB	
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](N(C)C(C)=O)[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104090098	HTPYQNQCFQIXMA-BXXSPATCSA-N	527.617	2.001	30	40	KEEB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@H](C)[C@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@@]31CO1	1073349411	NSFWWJIQIKBZMJ-HSSMWTMHSA-N	532.630	2.393	30	40	KEEB	biogenic
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118921723	CESZBWDCEVHSEC-CYARTTHCSA-N	517.623	2.087	30	40	KEEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)O	408954393	PLTKGYHUFPJMQC-GVGPMHNHSA-N	586.598	2.069	30	40	KEEB	
C#CCOc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408957178	SJBMANHEXHBOPJ-SVRGBRSRSA-N	552.584	2.228	30	40	KEEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1cccc([N+](=O)[O-])c1	8384849	OVIQVEGCXXZPFW-YZSQISJMSA-N	534.533	2.118	30	40	KEEB	
COc1cc([C@H](CC(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2O)C2=C(O)C[C@H](C)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)C2=O)ccc1O	1547208623	WVVDLUMWUYBKPL-ITYZVILTSA-N	666.101	2.254	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@H]1C(=O)O	118920795	OZYIJRBLAGRFLQ-DWMAYBMMSA-N	559.656	2.188	30	40	KEEB	
COc1ccc(-c2c(C#N)c(N)n([C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540514	FDFMLBCOUKQNGT-VODKHDTNSA-N	612.617	2.474	30	40	KEEB	
C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1	1614467816	BKFYIZLRTHFTNH-LAYIXPBNSA-N	516.679	2.102	30	40	KEEB	
COc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])cc(I)c2O)c(OC)c1OC	1616058	TTZBSGVMEPMXJY-QGMBQPNBSA-N	537.288	2.243	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	5537037	WAAMLROLJKIBIZ-XZCBWCRCSA-N	520.560	2.224	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc([N+](=O)[O-])cc1	408957404	SWWDNQZHUHMNJQ-GZNYDSFXSA-N	513.507	2.115	30	40	KEEB	
COc1cc(C(=O)NCCC(=O)N[C@H](Cc2ccccc2)C(=O)O/N=C(\N)c2cccs2)cc(OC)c1OC	97947521	COXAFQDOAXLTIE-LJQANCHMSA-N	554.625	2.485	30	40	KEEB	
O=C(c1ccc(/N=C2\N[C@H]3CS(=O)(=O)C[C@@H]3S2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	15936708	YBDNOVGGGQMCRY-PMACEKPBSA-N	501.590	2.047	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC=C)CC=C)cc2)sc2cc(S(N)(=O)=O)ccc21	100875674	HDIIMQYYFFEKIF-BZZOAKBMSA-N	530.653	2.087	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918836	ABINSSSHOUBAOH-NSVRIKAUSA-N	598.741	2.272	30	40	KEEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)c2ccccc21	97956793	RIYOJWFGZKXEAU-MYUZEXMDSA-N	539.610	2.215	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cccc([N+](=O)[O-])c1	408954922	PTWZCYJBENPMEF-GZNYDSFXSA-N	513.507	2.115	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958453	VVNIGVXGTAWOOC-IGLSYJKISA-N	600.625	2.158	30	40	KEEB	
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCO[C@@H]2CCCCO2)cc1	216669911	QGSBMQZFPAVLBB-XMMPIXPASA-N	520.641	2.327	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OC)c1OCC#N	408959167	YOEYYVLXOHAIQP-SHKCBZQISA-N	553.572	2.118	30	40	KEEB	
CCN1CCN(C(=O)/C(C#N)=c2/s/c(=C\c3ccc(OC(F)F)cc3)c(=O)n2-c2ccccc2)CC1	96400383	UICFQEOJRQOBMB-JAQJGPGCSA-N	510.566	2.168	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C	102929158	SDVCCNJQDMFPDB-HFEWCJDKSA-N	526.546	2.470	30	40	KEEB	
CC(=O)O[C@@H]1C[C@@]2(O)C(COC(=O)[C@H](OC(=O)CC(C)C)C(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2	1077996752	QPMVBTMUWDUUTJ-XUFWARTESA-N	540.606	2.425	30	40	KEEB	biogenic
COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(-c3ccc(C)cc3)c2=O)c(OC)c1OC	35362927	RPEMZDSHLGKMRZ-SLNOIXALSA-N	505.596	2.359	30	40	KEEB	
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@@H]2CCCCN2C1=O	60183245	DYQZJCUKWTVTLH-BUYUYZSNSA-N	568.715	2.043	30	40	KEEB	biogenic,in-vitro
C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)N2CCN(c3ccccc3)CC2)c1=O	97999305	PYMJZGWQXJKYGU-UHFFFAOYSA-N	581.629	2.357	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)cc1OC	408955938	RAKATENEUQEOJV-YNMPAXSUSA-N	528.562	2.224	30	40	KEEB	
O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(NC(=S)NCC#Cc3cn([C@H]4C[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O4)c(=O)nc3O)cc21	1569975879	HAZKCNVYRIVKMD-HNPKZYAISA-N	910.593	2.258	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@@H]4[C@@H](O)[C@@H]1[C@@H]1[C@@H](O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@@]341)C2=O	169477986	OYNIPTDPTUSUAY-PBWACACASA-N	542.496	2.011	30	40	KEEB	biogenic,in-vitro
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1	2283266	OQVIMCAJDAKPPI-VFJWVMJUSA-N	501.564	2.320	30	40	KEEB	
CN(C)c1nc(N/N=C/c2cc(I)cc(I)c2O)nc(N2CCOCC2)n1	8872864	NWCDZLKYSOBLNV-DJKKODMXSA-N	595.183	2.135	30	40	KEEB	
COc1cccc(/C=N\[C@@H]2[C@H](OC(C)=O)O[C@H](COS(=O)(=O)c3ccc(C)cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1	105023568	WSUXRXAACFEEDA-XMNKZCIGSA-N	577.608	2.348	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc([N+](=O)[O-])cc1	408957406	SWWDNQZHUHMNJQ-HNSFORISSA-N	513.507	2.115	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1O	504095908	ACTOXUHEUCPTEW-DQQMBSIQSA-N	843.065	2.325	30	40	KEEB	
COC(=O)C(=O)/C(=C/NC(=S)NCCc1ccc(OC)c(OC)c1)C(=O)c1ccc([N+](=O)[O-])cc1	104303685	NSJUSQJBBLHWTD-GHRIWEEISA-N	501.517	2.128	30	40	KEEB	
COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118922033	IZTYADBPMXUWSF-QHQIRQHLSA-N	571.667	2.053	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/[C@H]1C(=O)N(c2ccccc2)N=C1C	408953651	OVIRBKXUABUXOY-CUCOSMJVSA-N	564.599	2.198	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	118921979	DTUAOVYKPDCWLH-JYDSSLSHSA-N	612.720	2.191	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(I)o1	408944034	GCZYUHWQSUAPHD-NANPPUGASA-N	584.367	2.405	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2C(=O)C=C2[C@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	301054318	LPLVUJXQOOQHMX-BZJSKBFQSA-N	822.942	2.246	30	40	KEEB	
COc1ccc([C@@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN(C)C)cc1	102584256	CEMHWAWCLGRXKO-XMMPIXPASA-N	543.642	2.246	30	40	KEEB	
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)C(C(=O)OC)=C3Nc4ccccc4N3)n2N)c1	3451163	KUQSNBFDJSYHKF-UHFFFAOYSA-N	557.658	2.273	30	40	KEEB	
CCCCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](OC(=O)C(C)C)[C@H](CO)O[C@@H]1O[C@@]1(CO)O[C@@H](CO)[C@@H](O)[C@H]1OC(=O)CC(C)C	67911706	LOTLMZWGLBOKFL-YSSTXWTPSA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C)cc1	9373690	SLCDAUKUOGQPCO-QFIPXVFZSA-N	500.573	2.241	30	40	KEEB	
O=C1C(=C2N[C@@H](C(=O)O)[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@@H]23)C(=O)c2ccccc21	100910797	LTHAYVRJWBEWNN-JKIFEVAISA-N	548.861	2.157	30	40	KEEB	
CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@@]13[C@H]2CC[C@@]1(C)[C@H](c2ccoc2)OC(=O)C[C@@H]31	67911529	FZBGZDZLYSLJFE-DZZCSZDNSA-N	574.623	2.270	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(C)c([N+](=O)[O-])c1	408948458	KHJIDQOKMOQJSX-PXRRYSCDSA-N	527.534	2.424	30	40	KEEB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	70697374	WKOIITGIIRRQGT-UZRMIDHLSA-N	596.721	2.486	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875616	ZBLXVVYAWLRKRF-BZZOAKBMSA-N	532.669	2.289	30	40	KEEB	
N#CCCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)c1ccccc1	13002792	VGFMLNWTHOVGHU-UHFFFAOYSA-N	513.572	2.349	30	40	KEEB	
O=C(C[C@H]1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	8722412	CKLKWTHCZWJXJF-IERINAHZSA-N	500.606	2.207	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	79216805	XGPZAUVGPYBEHV-QFSAKRBOSA-N	682.723	2.403	30	40	KEEB	biogenic
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	8897387	NHCSFMANYHDIDX-OAQYLSRUSA-N	512.519	2.237	30	40	KEEB	
C=C1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@@H](C(C)(C)O)[C@@]2(C)[C@H](O)CC(=O)OC)[C@@H]2C(=O)O[C@@H](C)C(=O)[C@@]12C	252516580	ULFKJYBJJZGQQP-VUJQWFSZSA-N	508.608	2.359	30	40	KEEB	biogenic,in-vitro
COc1ccc(OC)c([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)c1	102514008	FSWDNKVDNPEJTD-ZZIWUOEGSA-N	506.559	2.414	30	40	KEEB	
CSCC[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692164	JMHBPDMXNPKEIY-VUEPXDBOSA-N	593.739	2.435	30	40	KEEB	biogenic
CO[C@H]1[C@@H](OC)[C@H](O)[C@H](C)O[C@H]1O[C@@H]1CC[C@]2(C=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1	118931993	BGGIZHKHJBQRTI-WBYDKOEKSA-N	578.699	2.058	30	40	KEEB	
C=C(NCC(=O)N[C@@H](C)C(=O)N/C(CC(=O)O)=C(/[O])CF)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1	1560403790	DAJWPAZHDXMUHV-AVRDEDQJSA-N	571.582	2.040	30	40	KEEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408920551	JZBHPSDANZTXBG-JUTHHCEFSA-N	503.536	2.429	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1	408951696	NIBQSISRKOQGOO-BAAUNKPPSA-N	586.598	2.150	30	40	KEEB	
CCNC(=S)N/N=C/c1cc(I)c(OCC(=O)O)c(I)c1	409371014	CMPLXXVPGODIPI-FZSIALSZSA-N	533.129	2.177	30	40	KEEB	
C#CCOc1c(/C=N\N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944450	GNPRUJVBJNORGK-POKFDZOHSA-N	552.584	2.228	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1	70692246	BKFYIZLRTHFTNH-DZXPEVJUSA-N	516.679	2.102	30	40	KEEB	biogenic
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@@]12C(=O)N(C)c1ccccc12	98046771	MXHLKUMGKAKLAD-NDEPHWFRSA-N	552.653	2.132	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919026	BMCVYNOMKBSIRU-UIAKEZJUSA-N	571.715	2.389	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	217343522	BMCVYNOMKBSIRU-LTSFQMKVSA-N	571.715	2.389	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(NC(C)=O)cc1	408958886	XGMOHCITHAAQBJ-CZYGPWSVSA-N	525.562	2.166	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N/OCOCCOC)[C@H](C)[C@H](O)[C@@]1(C)O	261165879	RXZBMPWDPOLZGW-HHQJUODASA-N	837.058	2.210	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	102860247	PZZYOXYCJHSFHS-OBVHCKHUSA-N	512.519	2.080	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCC(=O)Nc3ccc(C(N)=O)cc3)C[C@H]1C)C2=O	604404055	APIOWPISUCVOHX-YDBLSZJJSA-N	513.934	2.491	30	40	KEEB	biogenic
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(OC(=O)CN3C(=O)c4ccccc4C3=O)cc1)C1=C(N2)c2ccccc2C1=O	1266854	UNWLPAUQBAUSLD-HSZRJFAPSA-N	574.549	2.451	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1	9374492	NSWLSGVTMXCLII-JOCHJYFZSA-N	500.573	2.322	30	40	KEEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046835	YVTCOIZDQOUTIN-PMERELPUSA-N	545.592	2.445	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	123330897	XQCGNURMLWFQJR-ACWAISPLSA-N	548.673	2.433	30	40	KEEB	
O=C(CCS)OCC(COCC(COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS)(COC(=O)CCS)COC(=O)CCS	150339453	YAAUVJUJVBJRSQ-UHFFFAOYSA-N	783.065	2.154	30	40	KEEB	in-vitro
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccc4c(c3)[nH]c(=O)c(=O)n4CCO)C[C@H]1C)C2=O	604405728	VAGNGHNETWOHHJ-RYZVSIALSA-N	541.944	2.272	30	40	KEEB	biogenic
CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(/C=C/c3scnc3C)CS[C@@H]12)c1csc(N)n1	59660417	AFZFFLVORLEPPO-ZBABVUGFSA-N	620.735	2.298	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79216670	WOWOEXHOMMENAS-MFGFMKGTSA-N	587.754	2.210	30	40	KEEB	biogenic
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)/C=C\C=C(\C)C(=O)NC(=C(/C=N\N(C)C)C1=O)C2=O	104188653	CWGFPMGPQDJKNJ-IRPZLAAZSA-N	630.739	2.326	30	40	KEEB	
C=C[C@@](C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc23)[C@H](O)[C@@H](O)[C@@H]1O	67911883	CNQSCAAZMOPGOT-GOILAXEOSA-N	598.601	2.306	30	40	KEEB	biogenic,in-vitro
CC1=C2C(=O)[C@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@H]1C[C@H](C)CN[C@H]1[C@H]2C	79204131	HYDDDNUKNMMWBD-NCKNLCBVSA-N	587.754	2.005	30	40	KEEB	biogenic
CN1CC[C@@]23c4c5ccc(O)c4O[C@@H]2/C(=N\N=C2/CC[C@]4(O)[C@@H]6Cc7ccc(O)c8c7[C@]4(CCN6C)[C@@H]2O8)CC[C@]3(O)[C@@H]1C5	84586473	WKXKOQQVFYOJBC-IXOFVEOYSA-N	598.700	2.163	30	40	KEEB	
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCCCC(=O)[C@H]2CO2)NC(=O)[C@@H]2CCCCN2C1=O	225417368	DYQZJCUKWTVTLH-PUMXGNEJSA-N	568.715	2.043	30	40	KEEB	biogenic,in-vitro
COc1nc(N/N=C/c2cc(I)cc(I)c2OC)nc(N2CCOCC2)n1	6905778	YRIUNVGEGLKWBK-DJKKODMXSA-N	596.167	2.381	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC(C)=O)c1	408951172	MUMGIXYFMRMKSO-VZOVANTCSA-N	526.546	2.132	30	40	KEEB	
CCOc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCOC)ccc1O	9089210	KCHLCONIRJCFCC-NRFANRHFSA-N	504.561	2.266	30	40	KEEB	
O=[N+]([O-])c1ccc(N/N=C/c2ccc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)c([N+](=O)[O-])c2)c(S(=O)(=O)N2CCN(CCO)CC2)c1	163527820	ONOAEFZBRSFJNA-UZWMFBFFSA-N	696.743	2.299	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C	97971016	LGRQVXRCCIAMHX-HSZRJFAPSA-N	557.600	2.354	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918589	KLVFPBQMCBMXDO-BVPAUQHCSA-N	582.694	2.397	30	40	KEEB	
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	408595403	IPUDKEJCCXNSQD-HXUWFJFHSA-N	525.587	2.454	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1	102888092	RNLHGPNOCFPVCB-HOGKFDNTSA-N	518.563	2.305	30	40	KEEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2	408927416	WQVAEBKXIYNCDW-JUTHHCEFSA-N	503.536	2.429	30	40	KEEB	
COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC	98047031	FMPSNSUVJYPPFY-MHZLTWQESA-N	615.705	2.025	30	40	KEEB	
CCCCCCCC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	104211933	RKXFARRTYWTTSH-VDEVERMRSA-N	519.555	2.449	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cccc([N+](=O)[O-])c1	408954920	PTWZCYJBENPMEF-DEHLXGDFSA-N	513.507	2.115	30	40	KEEB	
CC(=O)O[C@@H]1CC[C@]2(COS(C)(=O)=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]2(O)C1	118929094	OXBITJFIYMNVNH-KFZNHOHHSA-N	526.648	2.246	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	150405516	BQOROZCHRZDSIN-NQFLDKDMSA-N	668.696	2.100	30	40	KEEB	
C/C(=C\[C@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	2061000509	OUICDHFBMJCDTL-KXJNTVMTSA-N	652.866	2.283	30	40	KEEB	
C[C@@H]1O[C@@H](O[C@@H]2CC[C@]3(/C=N/CC#N)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@@H](O)[C@H]1O	118931399	RAMCBZHYSSVMCY-KDYLZFSISA-N	572.699	2.175	30	40	KEEB	
CC[C@H](C)[C@H](N)C(=O)[C@@](C=O)([C@@H](C(=O)OCc1ccccc1)C(C)C)N(C(=O)[C@H](C)N)C(=O)[C@@H](N)CCC(=O)OC(C)(C)C	299754564	RENXKPLWNNMCST-WNNFODHDSA-N	618.772	2.034	30	40	KEEB	
COc1cc(/C=N/NC(N)=S)cc(Br)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1	408923838	KNODKVBRLAMTCM-AWQFTUOYSA-N	501.384	2.351	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccccc1I	9446398	JJEHWXOAIUJGGF-VLCBPTRESA-N	508.359	2.148	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C1/C(=O)Nc3ccc(Br)cc31)n2C[C@H](O)COc1ccc(Br)cc1	97958609	PJYAPBCMKRCFDJ-ZDUSSCGKSA-N	633.257	2.157	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](CC(=O)O)C(=O)O	70692366	HXFUJZUMEQLQDU-IBDDKNGMSA-N	561.628	2.186	30	40	KEEB	biogenic
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1/N=N/C=N/Nc1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1OC	104227669	RQVAPAGNJURXBL-TYSKPVBCSA-N	534.441	2.153	30	40	KEEB	
COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	118921987	WKOIITGIIRRQGT-XVAVWFQFSA-N	596.721	2.486	30	40	KEEB	
O=C(Oc1ccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	105501502	SGVTUKBGAQRIIV-WGOQTCKBSA-N	579.530	2.026	30	40	KEEB	
N#CC(C#N)=c1s/c(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1-c1ccc(F)cc1	3300266	USHBLGVAVQHRIM-MYYYXRDXSA-N	562.604	2.346	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)C(=O)NC1=S	408902430	NMLIWYRSBJSHPM-KPKJPENVSA-N	530.340	2.054	30	40	KEEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O	408948958	LEKAMSODHYSKTR-YNMPAXSUSA-N	528.562	2.311	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(NC(C)=O)cc1	408958888	XGMOHCITHAAQBJ-YNMPAXSUSA-N	525.562	2.166	30	40	KEEB	
CS(=O)(=O)c1ncc(Cl)c(C(=O)[C@@H](C#N)c2nc(O)c3cc(I)ccc3n2)n1	3186791	UBKMOYTUNPUWPX-SECBINFHSA-N	529.703	2.277	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(OC)c1	408959304	ZDMKOGBIJSNSBZ-CZYGPWSVSA-N	528.562	2.224	30	40	KEEB	
CCCCOC(=O)[C@H]1C[C@H]2O[C@H]2C[C@@H]1C(=O)OCCOCCOC(=O)[C@@H]1C[C@H]2O[C@H]2C[C@@H]1C(=O)OCCCC	4722274	MJDBSDYVGIQIRE-BHXDCAKSSA-N	554.633	2.363	30	40	KEEB	
N#CCCOC[C@@H](OCCC#N)[C@@H](OCCC#N)[C@H](OCCC#N)[C@@H](COCCC#N)OCCC#N	4915619	SIPCQLNTTKBLSF-MOUTVQLLSA-N	500.556	2.042	30	40	KEEB	
CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@]13[C@H]1CC(=O)O[C@@H](c4ccoc4)[C@]1(C)CC[C@H]23	67911527	FZBGZDZLYSLJFE-KUXKVTEBSA-N	574.623	2.270	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC(C)=O)c1	408951167	MUMGIXYFMRMKSO-AHEQEGGASA-N	526.546	2.132	30	40	KEEB	
Cc1cc(Cl)c2c(c1)[C@@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	38153645	HPGWYRZQQCQUGN-IUFCOECKSA-N	524.002	2.261	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	79221000	VQJREPKBHCUTJQ-QFSAKRBOSA-N	655.741	2.424	30	40	KEEB	biogenic
CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)c1nc(N)nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1	97940238	CPWXRPCKUDCTHV-UHFFFAOYSA-N	569.612	2.376	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@H](O[C@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@@H](C)CN[C@@H]1[C@@H]2C	38151489	WOWOEXHOMMENAS-VGHXXHQGSA-N	587.754	2.210	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OCC(=O)O)cc1Br	408954145	PGSIGVPQVXMWRW-ZGFZZAOZSA-N	651.467	2.442	30	40	KEEB	
CCn1c(N/N=C2\C(=O)Nc3ccc(Br)cc32)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	8435313	ABENLXCEWRDFPQ-UHFFFAOYSA-N	522.363	2.496	30	40	KEEB	
CCc1ccc(-n2c(=O)/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)NC(C)C)cc1	102963501	MMBYEJWCAFGYFS-SQLIVYMWSA-N	547.637	2.234	30	40	KEEB	
COc1c([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c(c1OC)OCO2	100254571	WEQZPOQQNLARBT-NRFANRHFSA-N	540.525	2.072	30	40	KEEB	
CO[C@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	245224509	XQCGNURMLWFQJR-NWGWXBMJSA-N	548.673	2.433	30	40	KEEB	
C=CCn1c(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(CC(=O)OC)c2=O)nc2sc(C)c(C)c2c1=O	103069396	HZFQHXPAXTWXMJ-UHFFFAOYSA-N	581.676	2.363	30	40	KEEB	
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[C@@]12C(=O)N(C)c1ccccc12	98046902	WZKBOSXJKRABPI-NDEPHWFRSA-N	552.653	2.132	30	40	KEEB	
CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046917	JLQVYCOGQIWURI-NDEPHWFRSA-N	552.653	2.132	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O	1548337549	IEMDOFXTVAPVLX-MNBRQHFDSA-N	785.969	2.443	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	257345346	LGGWIFCVDQIBES-RRXMLEIMSA-N	559.524	2.081	30	40	KEEB	
CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)/C(=N/OCOCCOC)[C@@H](C)[C@H](O)[C@@]1(C)O	1529018681	RXZBMPWDPOLZGW-BMPDCWMQSA-N	837.058	2.210	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1	102532951	SISGNEIXWVTLFV-HOGKFDNTSA-N	534.034	2.344	30	40	KEEB	
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)N1CCC[C@@H]1C(=O)O	217344897	OBKXXOQKGPZOES-OEQFSFANSA-N	658.789	2.329	30	40	KEEB	
C=C1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@H](CCCCCCCCC)OC1=O	252668874	FVHOUXKYAQHQLA-GFKBLUHOSA-N	539.714	2.322	30	40	KEEB	biogenic,in-vitro
CC(=O)OC(C)(C)/C=C\C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@@]12C	263598842	IHTCCHVMPGDDSL-SBNQPBQVSA-N	574.711	2.472	30	40	KEEB	
CCOC(=O)COc1ccccc1/C=N\N[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408953524	ONZYIIJBVZUYTH-AFIDFNMMSA-N	570.599	2.149	30	40	KEEB	
CC(=O)OC[C@H]1O[C@@H](OC2=C(C)C(=O)c3c(O)c(Cl)c(Cl)c(O)c3C2=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	85867072	KDAKZYMFENBLJN-KTVRTFKKSA-N	619.359	2.157	30	40	KEEB	biogenic
CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046823	XINIMCLFVDDBCE-LJAQVGFWSA-N	533.581	2.279	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1	102878816	RILWBECIBWNCFC-MOBKVPTQSA-N	534.034	2.344	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc([N+](=O)[O-])c(OC)cc1OC	408944551	GUBJYRLOWMUVML-QEHJYMRKSA-N	573.559	2.133	30	40	KEEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)OC	408958264	VJZISXZNSOQVFA-HBHDSJDFSA-N	600.625	2.158	30	40	KEEB	
c1ccc2c(c1)n(C[C@@H]1CO1)c(CCCCc1n(C[C@@H]3CO3)c3ccccc3[n+]1C[C@@H]1CO1)[n+]2C[C@H]1CO1	100707407	LTBIBAOORDTRQL-YCAMKHIRSA-N	516.642	2.332	30	40	KEEB	
CCOc1ccc(-n2c(=O)/c(=C/c3ccc(C(=O)OC)cc3)s/c2=C(\C#N)C(=O)N2CCCC2)cc1	33410105	XRVKFMQFRUJRLP-UXVOHKFYSA-N	503.580	2.210	30	40	KEEB	
C[C@@H](O)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(=O)O	70692098	SYJFEZXIMZBLMC-AKWGALKZSA-N	547.645	2.092	30	40	KEEB	biogenic
CCCC[C@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	79221110	UPGNPFVWNGZMBG-LIABMOPHSA-N	646.778	2.377	30	40	KEEB	biogenic
COc1cc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c2c1OCO2	85412595	RYJFNAWUWQUVCP-GOSISDBHSA-N	502.545	2.405	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918586	KLVFPBQMCBMXDO-BCRBGZNTSA-N	582.694	2.397	30	40	KEEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5cnc6c(ncn6[C@@H]6O[C@H](CO)[C@H](O)[C@@H]6O)c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C	263608110	SUSHPBOFGLYMMN-OMUJAIJTSA-N	991.017	2.154	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	70708358	DCUGDHFMGSIDFG-NUEKUTNJSA-N	591.742	2.298	30	40	KEEB	biogenic
CC(=O)OC(C)(C)/C=C\C(=O)[C@](C)(O)[C@@H]1[C@H](O)C[C@]2(C)[C@@H]3CC=C4[C@H](C[C@H](O)C(=O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C	263598841	IHTCCHVMPGDDSL-FWMFHVEWSA-N	574.711	2.472	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	70708259	HALDTNRHXOYUHF-LQROHQQPSA-N	621.797	2.053	30	40	KEEB	biogenic
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1OCC(=O)O	409358790	LHAUTXODEWNLTC-UHFFFAOYSA-N	509.256	2.451	30	40	KEEB	
CCOC(=O)COc1c(I)cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1OC	409408190	WUPDXDDHJHEURX-DSIZOQBWSA-N	524.311	2.383	30	40	KEEB	
Cc1cc(Cl)c2c(c1)[C@]1(N[C@@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	38153647	HPGWYRZQQCQUGN-NVAAOBHVSA-N	524.002	2.261	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1	101100219	CIDRLYIACYWTFP-MOBKVPTQSA-N	578.485	2.453	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(OC)cc1	102884774	OAEAPXOAZKGERG-AYWGPLOBSA-N	530.599	2.174	30	40	KEEB	
CC(C)C1=CC(=O)[C@](C)([C@@H]2[C@@H](O)C[C@]3(C)[C@H]4CC=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@@H]6O)C5(C)C)[C@@]4(C)C(=O)C[C@@]23C)O1	2061000831	WPXIIGGPWPYUSJ-XCAZXGRZSA-N	762.934	2.315	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1ccccc1	70692109	PVRFIZPFOOFSKA-FLBCVIDLSA-N	623.699	2.192	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC)c1OC	408946054	IAUPASQGDQTYHQ-DSGRTGNOSA-N	528.562	2.224	30	40	KEEB	
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@]34C(=O)N(C)c3ccccc34)ccc2O1	24147296	QWZBXXRNGQQUOX-LBEKAKSKSA-N	517.582	2.441	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C3=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]3c1ccc3c(c1)n(C)c(=O)n3C)C2=O	604404219	LREBXLGYWUSMQN-VOZGCOFFSA-N	648.072	2.380	30	40	KEEB	biogenic
COC1=C(OC)[C@H]([C@@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)OC1=O	68562252	SZCDDOBRSONPHY-MOPGFXCFSA-N	512.558	2.213	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC[C@@H]1CCCO1	70692055	VZAWVTSMJHPGPY-VZIBXKPBSA-N	543.657	2.184	30	40	KEEB	biogenic
C=C1C(=O)[C@@]23[C@H](OC(C)=O)[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	245240119	OICJJPULPAOUPO-HTJWQACDSA-N	534.602	2.436	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1ccccc1	70692110	PVRFIZPFOOFSKA-RLQZKUMVSA-N	623.699	2.192	30	40	KEEB	biogenic
CCOC(=O)COc1ccccc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408953527	ONZYIIJBVZUYTH-BQPLXCAASA-N	570.599	2.149	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	70708361	DCUGDHFMGSIDFG-PCTNRMHUSA-N	591.742	2.298	30	40	KEEB	biogenic
C/C(=N\Nc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccccc1)c1ccc(Br)cc1	97967988	WXBIQDQQIAOKRC-MAFAOTQISA-N	527.379	2.462	30	40	KEEB	
CN1/C(=C\C(=O)COC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])C(C)(C)c2ccccc21	102778363	ZNITWDSKDFRUSI-QKVAYCKHSA-N	529.571	2.143	30	40	KEEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](CCC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	118919141	WHWHVMRMOGUQKX-LDFLPZEZSA-N	531.650	2.477	30	40	KEEB	
CCc1nnc(N/N=C/c2cc(I)cc(I)c2OC)n1N	6860868	MOVRCCHOWOCJSP-OMCISZLKSA-N	512.093	2.218	30	40	KEEB	
CCOC(=O)COc1c(/C=N\N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944071	GGCODLQXPUVRPN-HNKAMPIOSA-N	600.625	2.158	30	40	KEEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1OCC(=O)N1CCOCC1	409405635	OXMOEYMMXFDJQT-SNHGZMDHSA-N	579.391	2.069	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](CC(=O)O)C(=O)O	70692365	HXFUJZUMEQLQDU-AWLBFBIISA-N	561.628	2.186	30	40	KEEB	biogenic
CCCCCCCC(=O)Nc1ncnc2c1ncn2[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	104211944	RKXFARRTYWTTSH-QELHCHSZSA-N	519.555	2.449	30	40	KEEB	
C=C1NC(=O)[C@H]([C@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](CCCCCCCCC)OC1=O	252668875	FVHOUXKYAQHQLA-HGOZJVTISA-N	539.714	2.322	30	40	KEEB	biogenic,in-vitro
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@@H](CO)[C@H](O)[C@@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	253529677	LOTLMZWGLBOKFL-IHAJHJJZSA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](OC)/C=C/C=C(/C)C(=O)NC(=C(/C=N\N3CCOCC3)C1=O)C2=O	150388506	NBLSLHGULNLUQD-LCSQTXHVSA-N	672.776	2.097	30	40	KEEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Br)c1OCC(N)=O	409405864	ILVDAMZQGIJKQX-LBLXLQPISA-N	527.169	2.225	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCCC(=O)NCc3nc(C)no3)C[C@H]1C)C2=O	604404520	CYKAGNWWRPACFZ-BGJPBQGDSA-N	504.927	2.151	30	40	KEEB	biogenic
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCOC)cc1	97954981	MMAQJZCDQGSBCP-XMMPIXPASA-N	542.610	2.497	30	40	KEEB	
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102709474	HCWMIKKUSIOJFV-SBXHHDGASA-N	522.554	2.388	30	40	KEEB	
COc1cc([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC	102881563	RKFSTWZGZQOTDT-UVDRRRQGSA-N	536.585	2.422	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccccc1	102885477	MUGIADZICTZCON-MOBKVPTQSA-N	500.573	2.166	30	40	KEEB	
C=C1C(=O)[C@@]23[C@H](OC(C)=O)[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@@]1(C)[C@@H](C[C@H]3OC(C)=O)C(C)(C)CC[C@H]1OC(C)=O	245240116	OICJJPULPAOUPO-COQQDVKBSA-N	534.602	2.436	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc(F)cc1	6906800	FZWXRWMMMALSJT-OGLMXYFKSA-N	537.552	2.358	30	40	KEEB	
COc1cc(OC)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1Cl	32505934	GUWQCBQCXGXCRT-MQJFFIEBSA-N	520.029	2.483	30	40	KEEB	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	118921989	WKOIITGIIRRQGT-FTJHUBBYSA-N	596.721	2.486	30	40	KEEB	
COC(=O)[C@]12Oc3ccc(-c4ccc5c(c4O)C(=O)C4=C(O)C[C@H](C)[C@H](O)[C@]4(C(=O)OC)O5)c(O)c3C(=O)C1=C(O)C[C@@H](C)[C@H]2O	8585932	DRYDKQOPVBDZMQ-BCOCQYLDSA-N	638.578	2.164	30	40	KEEB	biogenic,in-vitro
CC(=O)O[C@@H]1[C@H](SC2=C(S[C@@H]3OC[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3OC(C)=O)C(=O)c3ccccc3C2=O)OC[C@@H](OC(C)=O)[C@@H]1OC(C)=O	85911554	JOJYOGRKKXMLGS-ZZCURBACSA-N	738.742	2.046	30	40	KEEB	biogenic
C=CCOc1ccc(CC2(CN3C[C@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1	100743282	NIGRPUQKLBRZCR-NHCUHLMSSA-N	504.587	2.112	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)cc1	408958772	WRILYDIHUQQHHC-LRKSHOOESA-N	523.546	2.109	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@H]2C[C@](C)(OC)[C@@H](O)[C@H](C)O2)[C@@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@@]1(C)O	1569999069	KYTWXIARANQMCA-ZNMHEISUSA-N	748.952	2.047	30	40	KEEB	
C=C1[C@H]2C(=O)[C@H]3[C@@H]4N(C)[C@H]5C[C@]3([C@@H]1OC(C)=O)[C@@H]([C@@H]2OC(C)=O)[C@@]41[C@H](OC(C)=O)[C@@H](OC(=O)c2ccccc2)C[C@@](C)(C=O)[C@@H]51	253393362	COSBAEJVJIUFND-WGKSDYPZSA-N	619.667	2.306	30	40	KEEB	biogenic,in-vitro
C=C1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@@H](C(C)(C)O)[C@@]2(C)[C@H](O)CC(=O)OC)[C@@H]2C(=O)O[C@@H](C)C(=O)[C@]12C	252516577	ULFKJYBJJZGQQP-OMUJXRQOSA-N	508.608	2.359	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1	408951698	NIBQSISRKOQGOO-FAJJXVGLSA-N	586.598	2.150	30	40	KEEB	
C=C1[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	97976805	FWGNBGZFRILNEL-SZPZYZBQSA-N	606.646	2.248	30	40	KEEB	
CCCCCCCC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	104211948	RKXFARRTYWTTSH-IYZVWZADSA-N	519.555	2.449	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cccc(OCC#N)c1	408949074	LICOGQFTMOMXEN-QUANKURASA-N	523.546	2.109	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)c(OC)c1	408954370	PLDUOXYMAUKOKG-GCKFMUFSSA-N	553.572	2.118	30	40	KEEB	
CCOc1cc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)O)S2)ccc1OS(=O)(=O)c1ccc(OC)cc1	12285223	POFCRJXIWCCDIW-FNLSEGDXSA-N	507.546	2.258	30	40	KEEB	
CC(=O)O[C@@H]1CC[C@]2(COS(C)(=O)=O)[C@H]3CC[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@]2(O)C1	118929089	OXBITJFIYMNVNH-ORLWWZAZSA-N	526.648	2.246	30	40	KEEB	
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)O	118920541	JMHBPDMXNPKEIY-DWMAYBMMSA-N	593.739	2.435	30	40	KEEB	
CC1(C)[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	255227479	LPLVUJXQOOQHMX-ZKXOMTPPSA-N	822.942	2.246	30	40	KEEB	biogenic,in-vitro
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C](OCCOCCOCCOCCOCCOCCOCCOC)CC[C@@]3(O)[C@H]1C5	1560406227	SSIJAODRLUYUAE-ODRDEDCPSA-N	650.786	2.027	30	40	KEEB	
C#CCOc1ccccc1/C=N\N[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408959466	ZUPUUHSWNGHNPJ-AHFUYDSTSA-N	522.558	2.219	30	40	KEEB	
CCc1ccc(-n2c(=O)/c(=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)NC(C)C)cc1	102963503	MMBYEJWCAFGYFS-GWITXWKISA-N	547.637	2.234	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2C[C@@H](O)COc1ccccc1	6444787	XLYFRCWPJXQJAR-JKHIYUEESA-N	513.352	2.072	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c2c1OCO2	100255780	SSVVVZWYOZVHDI-QFIPXVFZSA-N	554.552	2.114	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(OC)ccc1OC	408948813	KXHLCVYEIYUXSE-VZOVANTCSA-N	528.562	2.224	30	40	KEEB	
CCN(CC)S(=O)(=O)c1ccc2c(c1)-c1cc(S(=O)(=O)N(CC)CC)ccc1C2=NNC(N)=S	2320967	VTJRRSHHZKPRHA-UHFFFAOYSA-N	523.706	2.314	30	40	KEEB	
C=CCN(C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	13135853	HCTUMOINXPSMNJ-MRXNPFEDSA-N	503.562	2.403	30	40	KEEB	
C=CCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1\C(=O)N(c2cccc(S(=O)(=O)O)c2)N=C1C	100267171	NIRRZPRFTIEDOV-SRPFLQSCSA-N	540.648	2.224	30	40	KEEB	
Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCO[C@H]2CCCCO2)cc1	216669956	QGSBMQZFPAVLBB-DEOSSOPVSA-N	520.641	2.327	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccccc1F	102867850	ZFHIRBNKKDDTIF-HOGKFDNTSA-N	518.563	2.305	30	40	KEEB	
Cc1nnnn1/N=C\c1ccc(O)c([C@@H](c2ccc(O)cc2)c2cc(/C=N/n3nnnc3C)ccc2O)c1	299817092	BLUJRJMLDHEMRX-KLQJXMMMSA-N	510.518	2.338	30	40	KEEB	in-vitro
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(C)cc1	102800659	AQDJFMKKEAOVFT-AYWGPLOBSA-N	514.600	2.474	30	40	KEEB	
O=C(Oc1cccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	105622064	KGWFZSIASOZBED-WGOQTCKBSA-N	579.530	2.026	30	40	KEEB	
CSCC[C@@H](NC(=O)[C@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	150344990	CSXOSSFEQCYOIV-OPCXAHOXSA-N	662.802	2.148	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(O)c([N+](=O)[O-])c1	408942461	DOZPYKYDEDQZLK-IXOKJCISSA-N	655.402	2.426	30	40	KEEB	
Cc1ccccc1-n1c(=O)/c(=C/c2ccccc2C(F)(F)F)s/c1=C(/C#N)C(=O)NCCN1CCOCC1	2638392	BCJXBRWNXUXTGM-SAKKEUGESA-N	542.583	2.178	30	40	KEEB	
CC(=O)Nc1ccc(/C=N\NC(=S)NCCCN2CCN(CCCNC(=S)N/N=C/c3ccc(NC(C)=O)cc3)CC2)cc1	104064445	YIJLECZILADZFW-NRYMNODQSA-N	638.868	2.297	30	40	KEEB	
C=C1[C@]2(CCC(=O)OC2(C)C)C[C@H](OC(=O)/C(C)=C/C)[C@]2(C)[C@@]13O[C@]14C(=O)O[C@@](C)(C(=O)[C@@]12C(=O)O[C@@H]4C)[C@@H]3OC(C)=O	253390609	PUNXZEDIXYLVKL-JRZLWWLMSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](C(C)(C)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)O[C@H]3CC[C@]12C	1775964025	ONOBZRVXUMNVLN-FDVNMKORSA-N	913.156	2.134	30	40	KEEB	biogenic,in-vitro
CC(C)C1=CC(=O)[C@](C)([C@@H]2[C@@H](O)C[C@]3(C)[C@H]4CC=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)C5(C)C)[C@@]4(C)C(=O)C[C@@]23C)O1	2061000829	WPXIIGGPWPYUSJ-PJBOLKMHSA-N	762.934	2.315	30	40	KEEB	
CCCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046826	XEIBRNGFNOGWTL-GDLZYMKVSA-N	533.581	2.279	30	40	KEEB	
CNC(=O)[C@H](C)[C@H]1C(=O)/C(=C(O)/C=C\C(C)=C/[C@H](C)[C@H]2O[C@]3(C)O[C@@H](C=C[C@@]34CO4)[C@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1	104039071	KVTPRMVXYZKLIG-ZUTDFRMQSA-N	600.709	2.460	30	40	KEEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257198718	HALDTNRHXOYUHF-SEHJTETBSA-N	621.797	2.053	30	40	KEEB	
COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1OC	8988281	IJHIWSJILARESS-NXLSWJSLSA-N	512.559	2.475	30	40	KEEB	
O=C(O)COCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1	101311722	DMOSJUMDMUXBJZ-ZHYXLRGXSA-N	520.429	2.427	30	40	KEEB	
C=CCN1C(=O)NC(=O)[C@@](Cc2ccc(OCC)cc2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	2139366	BJDYOFQDYUDJKZ-UMQWNRPGSA-N	504.587	2.160	30	40	KEEB	biogenic
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118921970	FWCFPYAVALXTLQ-MRJYGKMNSA-N	637.726	2.495	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408948074	KCTNPEAQVSPSMO-UFHLDOQFSA-N	570.599	2.149	30	40	KEEB	
O=[N+]([O-])c1cc(Cc2ccccc2)cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O	59417911	LNEYEMBEYFBNHI-YZSQISJMSA-N	520.550	2.195	30	40	KEEB	
CCCCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046806	APVLUTXQEFAWKP-SSEXGKCCSA-N	596.706	2.148	30	40	KEEB	
CC(C)[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1ccccc1	60059869	WFUSENHCPDYHMT-FCEKVYKBSA-N	599.736	2.346	30	40	KEEB	
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc3c(c(OC)c2OC)OCO3)c1	85412588	HPSBYJLYLAUIJJ-OAQYLSRUSA-N	526.542	2.352	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)cc1OC	408955931	RAKATENEUQEOJV-CZYGPWSVSA-N	528.562	2.224	30	40	KEEB	
O=[N+]([O-])C(COS(=O)(=O)c1ccccc1)(COS(=O)(=O)c1ccccc1)COS(=O)(=O)c1ccccc1	68572163	VQYCTURGLZWAHS-UHFFFAOYSA-N	571.607	2.218	30	40	KEEB	
CC1=C2C(=O)[C@@H]3[C@H](CC=C4C[C@@H](O[C@H]5O[C@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79216673	WOWOEXHOMMENAS-UBYSNJODSA-N	587.754	2.210	30	40	KEEB	biogenic
CCC(=O)O[C@H]1C(C)(C)[C@H]([C@@H](O)C(=O)OC)[C@]2(C)C(=O)[C@@]1(O)[C@H]1O[C@@]13[C@H]2CC[C@]1(C)[C@@H]3CC(=O)O[C@H]1c1ccoc1	67911525	FZBGZDZLYSLJFE-JUMRMSAVSA-N	574.623	2.270	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	408943530	FVTAKLNFFMBSIQ-UYULMDJUSA-N	563.951	2.474	30	40	KEEB	
C=CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1	222777091	HWFIQKXWUVCKLO-IBGZPJMESA-N	536.050	2.459	30	40	KEEB	
C=C1[C@H](O)[C@@]23CC[C@@H]4[C@H](C(=O)O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5OC(=O)CC(C)C)C[C@@]4(C)[C@@H]2CC[C@@H]1C3	255272018	URLHCYXPUZJWEJ-QLKRWLHJSA-N	566.688	2.013	30	40	KEEB	biogenic,in-vitro
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC[C@@H]1CCCO1	70692002	VXZATIZJXWWKRJ-VZIBXKPBSA-N	545.673	2.408	30	40	KEEB	biogenic
C=CCOc1ccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc1	169660127	NIGRPUQKLBRZCR-LEWJYISDSA-N	504.587	2.112	30	40	KEEB	
COc1ccc(-c2c(C#N)c(N)n([C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540518	FDFMLBCOUKQNGT-WHEQMZTLSA-N	612.617	2.474	30	40	KEEB	
COC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	169346607	QTQAWLPCGQOSGP-RKLHDXTJSA-N	560.644	2.408	30	40	KEEB	
C/C(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1	408718639	NWOCEOXDICKZHO-CRBQXDPASA-N	534.621	2.061	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@@H]3[C@@]2(C)CC1	150344982	PUAPOUIPTCFMNT-SYQYBXGSSA-N	657.717	2.099	30	40	KEEB	
NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCCCNOC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1	95550037	SILIGTWWNBSTBB-DNMDQSTESA-N	834.931	2.192	30	40	KEEB	
COCCn1/c(=N\C(=O)c2cc(OC)c(OC)c(OC)c2)c(C#N)cc2c(=O)n3cccc(C)c3nc21	102919423	KYAAILCCFWDMHS-FAJYDZGRSA-N	503.515	2.243	30	40	KEEB	
CCCCOC(=O)[C@H]1C[C@@H]2O[C@@H]2C[C@H]1C(=O)OCCOCCOC(=O)[C@H]1C[C@@H]2O[C@@H]2C[C@H]1C(=O)OCCCC	4722273	MJDBSDYVGIQIRE-VKFXDHOHSA-N	554.633	2.363	30	40	KEEB	
Cc1ccccc1OC[C@H](O)Cn1c(NN=Cc2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C	5313398	JRWRECWZEKPCDD-MRXNPFEDSA-N	543.378	2.086	30	40	KEEB	
COC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OC)[C@H]1c1ccc(OC)cc1	15081199	RJQULRSKQZVKEF-LEHCEWOHSA-N	518.588	2.155	30	40	KEEB	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	85907054	WKOIITGIIRRQGT-ZPPSYVBNSA-N	596.721	2.486	30	40	KEEB	
N#C/C(C(=O)N1CCCC1)=c1\s/c(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1-c1ccccc1	97981737	JFYWSEDEOLVRJS-ZNYKMYKYSA-N	616.721	2.305	30	40	KEEB	
CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2cc([N+](=O)[O-])cc(I)c2O)cc1	8655481	TWWWBXITETWBBN-IUXPMGMMSA-N	504.262	2.176	30	40	KEEB	
COc1cc(/C=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc(OC)c1OC(C)=O	12623296	IGHVTONMVMQUDD-LPYMAVHISA-N	508.509	2.004	30	40	KEEB	
CCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OCC(=O)OC)[C@H]1NC(C)=O	245266092	IKWOZRCTQUEKNN-PFKOEMKTSA-N	503.589	2.036	30	40	KEEB	
Cc1nnnn1/N=C/c1ccc(O)c(C(c2ccc(O)cc2)c2cc(/C=N/n3nnnc3C)ccc2O)c1	3979524	BLUJRJMLDHEMRX-BMNRKXRESA-N	510.518	2.338	30	40	KEEB	investigational
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)=C(O)C(=O)N2CCOC)cc1	97954982	MMAQJZCDQGSBCP-DEOSSOPVSA-N	542.610	2.497	30	40	KEEB	
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(S(N)(=O)=O)ccc21	100874677	SKQDXRQGAMEKAO-VYIQYICTSA-N	558.667	2.095	30	40	KEEB	
N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C/c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1	102963819	AAZITEOSCNYCJP-NJEIGANZSA-N	545.621	2.159	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(O)cc1O	408947551	JJHCJXRAFXHNRT-ADHNYVKFSA-N	579.404	2.381	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(OC)ccc1OC	408948810	KXHLCVYEIYUXSE-AHEQEGGASA-N	528.562	2.224	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OC)c(I)c2)C(=O)NC1=S	408902864	MMOBXNMUJMLULW-BJMVGYQFSA-N	612.183	2.260	30	40	KEEB	
N#Cc1cccc(NC(=O)N2CCC[C@@H](O)[C@H](NC(=O)c3ccc(OCCN4CCOCC4)cc3)C2)c1	15672272	HFVHUXPZOKAJRC-JWQCQUIFSA-N	507.591	2.056	30	40	KEEB	biogenic,in-vitro
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CC(=O)CCC(=O)N[C@H]1CCCCNC1=O	118918681	YEUHPGXXCFWSLL-PSKWHJPVSA-N	556.700	2.314	30	40	KEEB	
COc1cc([C@@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O	524730651	RGROTCOSMRMSES-XERWKDHVSA-N	667.071	2.062	30	40	KEEB	biogenic
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1	14359035	VYJITHCCHLDXSE-YWQQNBBASA-N	520.564	2.239	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3/C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1	100772620	PKOGCGUOHFHVLU-ZHHPLPSFSA-N	529.574	2.236	30	40	KEEB	
CCOC(=O)COc1cccc(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408942084	DMFIWHJJDOLTPD-AFIDFNMMSA-N	570.599	2.149	30	40	KEEB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C#N)C1	9391491	ATFUZVYJWZQBPP-UHFFFAOYSA-N	504.590	2.408	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OC)c1OCC#N	408959169	YOEYYVLXOHAIQP-WIRDACMOSA-N	553.572	2.118	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	70708251	HALDTNRHXOYUHF-LGLCFKKRSA-N	621.797	2.053	30	40	KEEB	biogenic
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=C[C@H]2O[C@H]2C[C@@H](C)OC(=O)C[C@H]1OC(C)=O	263596435	FQVHOULQCKDUCY-CNMLTBFKSA-N	841.989	2.433	30	40	KEEB	
CCOc1ccc(/C=c2\sc3n(c2=O)C(N)=C(C(=O)OC)[C@@H](c2ccc(OCC)cc2)C=3C#N)cc1	989075	SVXGVTHXOZYKKR-BHJKQYKASA-N	503.580	2.308	30	40	KEEB	
C=CCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)CC1	67338052	FPCVIFJORSFSEJ-UHFFFAOYSA-N	521.087	2.320	30	40	KEEB	
COc1ccc(-c2oc(NC(=O)COC(=O)c3[nH]c(=O)[nH]c(=O)c3N)c(C#N)c2-c2ccc(OC)cc2)cc1	3306916	BWKWTLFBMXZVDY-UHFFFAOYSA-N	531.481	2.257	30	40	KEEB	
Cc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCN(C)C)cc1	16742417	APCLOWQNDKXFNU-QHCPKHFHSA-N	513.616	2.156	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317721	FPMCNXCMDJMTDJ-ZZJCVSNXSA-N	508.359	2.148	30	40	KEEB	
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C\c2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccccc1F	102962946	SRCQNZHRIBSPDF-MZGRUVDNSA-N	546.546	2.008	30	40	KEEB	
CC(C)=N/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc(NC(=O)C[C@@H]3S/C(=N/N=C(C)C)NC3=O)c2)S1	100951610	VHYALSHPAXDBQK-HOTGVXAUSA-N	530.636	2.311	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918947	FRVGSEGYMCIAHB-XOTXYMMSSA-N	525.646	2.297	30	40	KEEB	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C)C(=O)N[C@H](CCSC)C(=O)O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118920539	ROTCNZAVWSFMFU-DAPOWDHHSA-N	603.782	2.484	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/CCN3CCOCC3)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1	118925456	BKFYIZLRTHFTNH-AUJBCUMJSA-N	516.679	2.102	30	40	KEEB	
COc1ccccc1NS(=O)(=O)c1cc(N/C(S)=N\CCN2CCOCC2)ccc1N1CCOCC1	38146210	LYXDCHMCQXLWGP-UHFFFAOYSA-N	535.692	2.363	30	40	KEEB	aggregator
COc1c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)cc2c(c1OC)OCO2	96335801	LOMWIBGMLCPZFT-SFHVURJKSA-N	502.545	2.405	30	40	KEEB	
O=C(Oc1cccc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1)c1cccc([N+](=O)[O-])c1	103755730	XRVXVCKZYZQQIS-YZSQISJMSA-N	534.533	2.118	30	40	KEEB	
O=C(COc1c(Br)cc(Cl)cc1C=NN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)N1CCOCC1	409410163	ZTCYZYZCMWFNGO-BIPCEHGGSA-N	522.783	2.481	30	40	KEEB	
CSCC[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	70692163	JMHBPDMXNPKEIY-IJJOSXPWSA-N	593.739	2.435	30	40	KEEB	biogenic
COC(=O)c1ccc([C@@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)cc1	102879489	GVGNSIMXIZLDJE-COUQNMRISA-N	504.543	2.183	30	40	KEEB	
COC(=O)[C@H]1[C@@H](O)[C@@H](C)[C@@H](O)[C@@](C)(O)C=C(C)C2=C3C(=C(C)C(=O)c4c(O)c(c(C)c(OC(C)=O)c43)NC(=O)C(C)=CC=C[C@@](C)(O)[C@@H](O)[C@@H](C)[C@H]1O)OCO2	254201702	VFWVBAYZDJRDPD-DYLPZWKMSA-N	785.840	2.220	30	40	KEEB	
COc1c(OC(C)=O)ccc(/C=N/Nc2nc(=NCc3ccccc3)nc(N3CCOCC3)[nH]2)c1[N+](=O)[O-]	408718504	RWVHCRGIOQYGBE-CVKSISIWSA-N	522.522	2.030	30	40	KEEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)cc1OCC(=O)N1CCOCC1	409408912	ZVGHJFOQCZVKRS-YKTUVVHCSA-N	532.391	2.226	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)c(OC)c1	408959305	ZDMKOGBIJSNSBZ-GSJUJJHQSA-N	528.562	2.224	30	40	KEEB	
C/C(=C\[C@@H](O)[C@@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	2061000510	OUICDHFBMJCDTL-MZEBYMLISA-N	652.866	2.283	30	40	KEEB	
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)c(OC)c2c1OCO2	100254992	ZVARSYGLQRHYQR-OAQYLSRUSA-N	540.525	2.072	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)C(=NO)[C@H](C)[C@H](O)[C@@]1(C)O	306146619	KYTWXIARANQMCA-VZXSVMAASA-N	748.952	2.047	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1	408951703	NIBQSISRKOQGOO-OZZGVXJDSA-N	586.598	2.150	30	40	KEEB	
CCOc1cc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)OC	408958263	VJZISXZNSOQVFA-FSJZUKHPSA-N	600.625	2.158	30	40	KEEB	
C=C1C(=O)[C@@]23[C@H](OC(C)=O)[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@@]1(C)[C@@H](C[C@H]3OC(C)=O)C(C)(C)CC[C@H]1OC(C)=O	245240118	OICJJPULPAOUPO-HAGKGANNSA-N	534.602	2.436	30	40	KEEB	
CC1(C)[C@@H](O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C	252286822	LPLVUJXQOOQHMX-SUFNXCFSSA-N	822.942	2.246	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N\O)[C@H](C)[C@@H](O)[C@]1(C)O	245205016	KYTWXIARANQMCA-XPQJXYSSSA-N	748.952	2.047	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC)cc1[N+](=O)[O-]	408948906	LBGSMBJERXFJLP-QEHJYMRKSA-N	573.559	2.133	30	40	KEEB	
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	253529679	LOTLMZWGLBOKFL-NXPLBURTSA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccccc1OC(C)=O	408958520	WDZUANHQJAHGEI-FOFBPULZSA-N	526.546	2.132	30	40	KEEB	
COc1ccc(S(=O)(=O)N/N=C/c2cc(I)cc([N+](=O)[O-])c2O)cc1OC	1616062	HTJQBAOTYJAWOG-CAOOACKPSA-N	507.262	2.235	30	40	KEEB	
C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(OCC)c2)C(=O)NC1=S	408902221	MDVVCDDANKPHSQ-MDWZMJQESA-N	544.367	2.445	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(I)o1	408944037	GCZYUHWQSUAPHD-ZCTVUFTBSA-N	584.367	2.405	30	40	KEEB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@@H](C)[C@@H](O)C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1	1534684193	NSFWWJIQIKBZMJ-AKYWPWBNSA-N	532.630	2.393	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C([C@H](CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)c3ccc4c(c3)OCO4)=C(O)C[C@H]1C)C2=O	1547206037	MIFSASIOHTUMBY-BHHCXEHLSA-N	664.085	2.269	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]2O[C@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1	104374474	ORNJEIYICYPRDK-ITBHCLRTSA-N	528.601	2.020	30	40	KEEB	
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3O)=C(O)C(=O)N2CCCN2CCOCC2)cc1	20309396	KGGTZUAOJYFBHJ-HSZRJFAPSA-N	510.543	2.488	30	40	KEEB	
CC(=O)O[C@H]1[C@H](COS(=O)(=O)c2ccc(C)cc2)OCO[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(C)=O	104182321	JJJOKCGHKBDRTF-OJJQZRKESA-N	586.637	2.019	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118935049	BMCVYNOMKBSIRU-MJZKQJCBSA-N	571.715	2.389	30	40	KEEB	
N#C/C(C(=O)N1CCCC1)=c1/s/c(=C\c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c(=O)n1-c1ccccc1	102963860	JFYWSEDEOLVRJS-DERVAVRRSA-N	616.721	2.305	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)O)c(Br)c1	408947649	JKXWOEBJASHCCJ-QTEBJIRVSA-N	621.441	2.433	30	40	KEEB	
COc1ccc(-c2c(C#N)c(N)n([C@@H]3O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)c(=S)c2C#N)cc1	5540523	FDFMLBCOUKQNGT-DZBYEKKFSA-N	612.617	2.474	30	40	KEEB	
CCCC[C@@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	79221106	UPGNPFVWNGZMBG-DEEAWZNHSA-N	646.778	2.377	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408944466	GOOCXABDZNCNTJ-WCYITLMCSA-N	651.467	2.442	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O	618072170	IEMDOFXTVAPVLX-BJVUQMSCSA-N	785.969	2.443	30	40	KEEB	
O=C(CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	13130231	SMNUQKRKHYKTEH-RUZDIDTESA-N	509.588	2.269	30	40	KEEB	
CCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OCC(=O)OC)[C@@H]1NC(C)=O	110557637	IKWOZRCTQUEKNN-HYPCABPSSA-N	503.589	2.036	30	40	KEEB	
CCOc1cccc(/C=N/N=C(\S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c1O	8687888	PAIAYOMMHNDUDO-KOEQRZSOSA-N	549.675	2.380	30	40	KEEB	
Cc1ccc(S(=O)(=O)NC(=O)C(=NNc2ccc(F)cc2)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1	101390590	BLFNKNWPXDZOHR-UHFFFAOYSA-N	532.575	2.221	30	40	KEEB	
CCOc1cc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC(=O)OC	408958265	VJZISXZNSOQVFA-IGLSYJKISA-N	600.625	2.158	30	40	KEEB	
CCOC(=O)c1ccc(NC(=O)C[C@H]2S/C(=N\NC3=NC(=O)CS3)N(Cc3ccco3)C2=O)cc1	12580196	PQHTWIOCCFMUAF-ZLXSMEDCSA-N	515.573	2.419	30	40	KEEB	
COc1ccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@H]3N2Cc2ccc3c(c2)OCO3)cc1OC	32507872	ZBKVJANXBCZECQ-NBUJPCDSSA-N	504.586	2.272	30	40	KEEB	
C=C1C(=O)[C@]23[C@H](OC(C)=O)C[C@@H]4C(C)(C)CC[C@@H](OC(C)=O)[C@@]4(C)[C@H]2[C@@H](OC(C)=O)C[C@]1(O)[C@@H]3OC(C)=O	100359597	OICJJPULPAOUPO-PJFKCQDRSA-N	534.602	2.436	30	40	KEEB	
CC(=N\NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)/C(C)=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1	102926024	CIQAEASHBZBBOF-RYQLWAFASA-N	598.802	2.212	30	40	KEEB	
Cc1ccc2c(c1)/C(=N\Nc1nc3c(c(=O)[nH]c(=O)n3C)n1C[C@H](O)COc1ccc3ccccc3c1)C(=O)N2	97968788	OMEZVLVOKGUKME-SFHVURJKSA-N	539.552	2.093	30	40	KEEB	
COc1ccc(/C(C)=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C[C@@H](O)COc2ccccc2C)cc1	12437124	WOEKLIWWZBUCMO-WKTMJKCCSA-N	506.563	2.027	30	40	KEEB	
C=CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccc(C)cc1	70712228	IRSUOKQJASGJOR-GAQRMDFMSA-N	560.629	2.188	30	40	KEEB	biogenic
COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cc(OC)c3c(c2)OCO3)cc1OC	85413307	GZVQFINOTCQMEJ-HSZRJFAPSA-N	526.542	2.352	30	40	KEEB	
COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c1OCO2	96335836	KNPCJZLGYJICKK-QHCPKHFHSA-N	524.526	2.106	30	40	KEEB	
CN/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@H](O)c1ccc([C@H](O)/C(=N/NC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	150436059	JNUXSNRWICAODT-MOOLDYALSA-N	628.562	2.115	30	40	KEEB	
CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCOC)cc1OC	102866764	CEXBFZKBZNFBKY-HOGKFDNTSA-N	518.588	2.412	30	40	KEEB	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118920537	ROTCNZAVWSFMFU-NHCOECJUSA-N	603.782	2.484	30	40	KEEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)c2ccccc21	97956796	RIYOJWFGZKXEAU-DNOBIOAJSA-N	539.610	2.215	30	40	KEEB	
CCOC(=O)N1CCN(c2c(/C=C3\SC(=S)N(C[C@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	100902228	IBFFNDIIZAPXDY-BKAYVGFPSA-N	531.660	2.224	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1	9328302	ITUAHXUWNIZZKH-JOCHJYFZSA-N	518.563	2.461	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1	408948893	LBEAPYOOMLDWPM-CRNNCATQSA-N	621.043	2.421	30	40	KEEB	
CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C	79204118	HYDDDNUKNMMWBD-YAUGHLKPSA-N	587.754	2.005	30	40	KEEB	biogenic
Cc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	104174135	XTTRAPCVQYWWHN-NXLSWJSLSA-N	527.643	2.389	30	40	KEEB	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CC(=O)CCC(=O)N[C@@H]1CCCCNC1=O	118918678	YEUHPGXXCFWSLL-PXRFREPYSA-N	556.700	2.314	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	27021104	RXWOZFCYNISWGC-XMMPIXPASA-N	525.627	2.382	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1	27021114	RXWOZFCYNISWGC-DEOSSOPVSA-N	525.627	2.382	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(OC)c1	102894195	FNAXQOSRAAYRGK-ZHHPLPSFSA-N	530.599	2.174	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1	408950650	MKNFMAVTTVIRSV-NQVRMTPQSA-N	712.494	2.372	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC(=O)OC)c(I)c1	408958524	WESICMHOVCMFGE-CAPGBIOCSA-N	682.468	2.364	30	40	KEEB	
COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70696877	ZGNCRRCTXKKIPY-RUOMQGBRSA-N	573.683	2.277	30	40	KEEB	biogenic
CN(C)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@]12C(=O)N(C)c1ccccc12	98046876	ARFQLIGZDMDCLC-NDEPHWFRSA-N	552.653	2.132	30	40	KEEB	
CO[C@@H]1O[C@@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](N(C)C(C)=O)[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104090094	HTPYQNQCFQIXMA-CWBXHPNXSA-N	527.617	2.001	30	40	KEEB	
CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)N2CCOCC2)n(-c2ccccc2)c1=O	101159832	VWNUGLZRERJQNF-UZYICCJWSA-N	540.439	2.422	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	79216800	IANDTMRUEFTZQG-RLQZKUMVSA-N	670.712	2.324	30	40	KEEB	biogenic
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	102892784	KQFHHJCGTHMQEN-MRJHHRETSA-N	504.561	2.022	30	40	KEEB	
CC(C)C[C@H](NC(=O)[C@H](N)CCC(=O)OCc1ccccc1)C(=O)N[C@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O	95550173	DYVHVMLSWFNVIT-ALMGMPQLSA-N	771.868	2.405	30	40	KEEB	
Cc1ccc(-n2c(=O)/c(=C\c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)s/c2=C(/C#N)C(=O)N2CCCC2)cc1	102963535	BNEGXNFABULRSG-HBYQYVSRSA-N	545.621	2.078	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccccc1[N+](=O)[O-]	408949632	LRNZWZWLGPRHDC-NBBJKDIKSA-N	513.507	2.115	30	40	KEEB	
COC(=O)/C(=N\N)[C@@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O	73336158	PYLQDVINPHITIN-VQTQVJGFSA-N	556.491	2.254	30	40	KEEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257198719	HALDTNRHXOYUHF-UAZCLCILSA-N	621.797	2.053	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C(=O)C[C@H]1C)C2=O	1547138651	OXWRNDXDRBJKSC-BLQJTVEQSA-N	596.036	2.130	30	40	KEEB	
C=CCOc1c(I)cc(C=C2C(=O)NC(=S)NC2=O)cc1I	98002612	VFDAADSYMNXXFG-UHFFFAOYSA-N	540.120	2.375	30	40	KEEB	
COc1cc(OC)c(N2/C(=N\C(=O)CNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl	32505930	GUWQCBQCXGXCRT-SARSJTTHSA-N	520.029	2.483	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1cccs1	113831316	CQHXJMZMGPMWIN-PCLIKHOPSA-N	525.591	2.280	30	40	KEEB	
COc1ccc(S(=O)(=O)N/N=C\c2cc(I)cc([N+](=O)[O-])c2O)cc1OC	17187306	HTJQBAOTYJAWOG-IUXPMGMMSA-N	507.262	2.235	30	40	KEEB	
CN(C)c1ccc([N+](=O)[O-])cc1/C=N/c1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1	100252220	UIASIDKCVYBYNW-JJIBRWJFSA-N	503.581	2.269	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)C(=NO)[C@H](C)[C@@H](O)[C@]1(C)O	306146616	KYTWXIARANQMCA-AWNDVQOUSA-N	748.952	2.047	30	40	KEEB	
Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)N2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1	9906707	ZIFMUBONOQTICR-IZHYLOQSSA-N	520.677	2.077	30	40	KEEB	
COC(=O)[C@@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1	70697378	WKOIITGIIRRQGT-JKBYZYDRSA-N	596.721	2.486	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C	102925975	XTFYYQYUMMZCFF-HFEWCJDKSA-N	526.546	2.470	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N/OCOCCOC)[C@H](C)[C@H](O)[C@]1(C)O	261166207	RXZBMPWDPOLZGW-NERHFQEBSA-N	837.058	2.210	30	40	KEEB	
CC(C)(C)OC(=O)NCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1cccc(I)c1	101317898	DMKLFHSAMJNWNC-NWCBFNCISA-N	551.428	2.417	30	40	KEEB	
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)cc2)C1	103041292	LDYAHFULZKJBIR-WOJBJXKFSA-N	530.672	2.372	30	40	KEEB	
CC(C)C1=CC(=O)[C@](C)([C@@H]2[C@@H](O)C[C@]3(C)[C@H]4CC=C5[C@H](CC[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@@H](O)[C@H]6O)C5(C)C)[C@@]4(C)C(=O)C[C@@]23C)O1	2061000830	WPXIIGGPWPYUSJ-WZYBUKMISA-N	762.934	2.315	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	70708364	DCUGDHFMGSIDFG-MESHBRTISA-N	591.742	2.298	30	40	KEEB	biogenic
CCN1C(=O)[C@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046918	JLQVYCOGQIWURI-MUUNZHRXSA-N	552.653	2.132	30	40	KEEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257198717	HALDTNRHXOYUHF-NSLCLBQWSA-N	621.797	2.053	30	40	KEEB	
CCOC(=O)c1ccc(-c2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)o2)cc1	59418297	ZCWIWWRUNXZANF-YZSQISJMSA-N	507.551	2.428	30	40	KEEB	
Cn1c(=O)c(C2=NNC(=O)/C2=N\Nc2c(Br)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(O)c2ccccc21	100353747	AHRCRQNNHVCDIM-UHFFFAOYSA-N	530.251	2.125	30	40	KEEB	
CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@@H]2C	257198753	HYDDDNUKNMMWBD-AUMZKHEZSA-N	587.754	2.005	30	40	KEEB	
CCCCCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O	96014532	IRFYVBULXZMEDE-DEEZISNZSA-N	947.832	2.362	30	40	KEEB	endogenous,in-man
COc1ccc(-n2c(=O)/c(=C/c3cn(-c4ccccc4)nc3-c3cccnc3)s/c2=C(/C#N)C(N)=O)cc1	105753342	PHFHRPYBHORYPQ-GXYKWLILSA-N	520.574	2.144	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@H](OC2=C(c3ccccc3)C(=O)C(O[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3OC(C)=O)=C(c3ccccc3)C2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	263601667	LJQICEPXOKOTEJ-MZYIOPMTSA-N	952.868	2.160	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(I)c(OCC(=O)O)c(OC)c1	408954090	PESNBYPXWBTOCT-CIYTXOHGSA-N	698.467	2.284	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)O	70692047	RUEIZZQOIROXMJ-HZPAFZDVSA-N	559.656	2.188	30	40	KEEB	biogenic
COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118922028	ZGNCRRCTXKKIPY-LFWYDEFSSA-N	573.683	2.277	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	150405521	BQOROZCHRZDSIN-FLBCVIDLSA-N	668.696	2.100	30	40	KEEB	
Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1	97965433	AZKHRUKPQQWYGX-ULWNEYHBSA-N	534.704	2.403	30	40	KEEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c2ccccc21	98046833	WPOSWTFRANGWCO-LJAQVGFWSA-N	531.565	2.055	30	40	KEEB	
C=C1C[C@H]2[C@@]3(C)[C@@H](O)CC(=O)C(C)(C)[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]12C	67911311	FFXYBQSGDXRLHS-VQECMDQVSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@@H](CO)NC(=O)c1ccc(OC)cc1	408596044	NGDUUQDSJGOCOM-HXUWFJFHSA-N	525.587	2.454	30	40	KEEB	
CC(C)[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)O	118921709	LNEUAHGGGCFWPJ-UUXVXGDHSA-N	561.672	2.338	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408944461	GOOCXABDZNCNTJ-CIYTXOHGSA-N	651.467	2.442	30	40	KEEB	
C[C@H]1O[C@@H](O[C@H]2CC[C@]3(/C=N/O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	257198773	IBMQXPXDNMNOFQ-HFDIJYDBSA-N	549.661	2.040	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC)cc1OC	408955940	RAKATENEUQEOJV-ZOLLBZJMSA-N	528.562	2.224	30	40	KEEB	
CO[C@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@](C)(O)[C@H](O)[C@H](C)O3)[C@@H](N(C)C)[C@@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O[C@@H]2CC[C@H](N(C)C)[C@H](C)O2)/C=C/C=C\C[C@@H](C)OC(=O)C[C@H]1O	504095890	ACTOXUHEUCPTEW-DJPUTCSZSA-N	843.065	2.325	30	40	KEEB	
CCN1C[C@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](O)([C@@H](C[C@@H]23)[C@@H]14)[C@@]5(O)[C@@H]6OC	1559556395	ILNXJLNWARWHMD-NCMWCJFRSA-N	600.709	2.153	30	40	KEEB	
C=CCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	101027200	LTGYNQGWYVOCFI-LJAQVGFWSA-N	564.664	2.298	30	40	KEEB	
Cc1ccc(Cn2c(N/N=C3/C(=O)Nc4ccc(Br)cc43)nc3c2c(=O)[nH]c(=O)n3C)cc1	8985666	LIMKRBUMSJRBGB-UHFFFAOYSA-N	508.336	2.311	30	40	KEEB	
Cc1cc(Cl)c2c(c1)[C@@]1(N[C@H](CC(N)=O)[C@H]3C(=O)N(c4sc5c(c4C#N)CCCC5)C(=O)[C@H]31)C(=O)N2	38153649	HPGWYRZQQCQUGN-XBBAGBNQSA-N	524.002	2.261	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccccc1F	9436525	UAPCQJPKVLVXJW-QFIPXVFZSA-N	518.563	2.461	30	40	KEEB	
COCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1	13786093	WLGSTPWOYXIGIL-FQEVSTJZSA-N	502.575	2.441	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)C(/C=N/Nc2ccccc2)=N\Nc2ccccc2)cc1	104373195	CBQIYWDLSLNGTF-RQBHIUKHSA-N	512.588	2.349	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cc1	102552341	HFWICRKQNUQMMJ-AYWGPLOBSA-N	531.606	2.220	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(Br)c(OCC(=O)O)c(OC)c1	408944465	GOOCXABDZNCNTJ-PRJANPOJSA-N	651.467	2.442	30	40	KEEB	
C=CCN1C(=O)/C(=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21	409387692	JMFYOUFNBZKFLJ-AYWGPLOBSA-N	529.574	2.430	30	40	KEEB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@H](C)[C@H](O)C(=O)OC[C@@]2(CC1)[C@@]4(C)[C@]31CO1	1073349412	NSFWWJIQIKBZMJ-NJWDKUOUSA-N	532.630	2.393	30	40	KEEB	biogenic
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCc5ccncc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	12664215	FRVGSEGYMCIAHB-JOKVPPMLSA-N	525.646	2.297	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	150402896	XGPZAUVGPYBEHV-IDSUFWKPSA-N	682.723	2.403	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)/C(=N/OCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O	261166208	RXZBMPWDPOLZGW-ZXKXBPQLSA-N	837.058	2.210	30	40	KEEB	
C=C1[C@@]2(CCC(=O)OC2(C)C)C[C@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@]34C(=O)O[C@@H](C)[C@@]35O[C@]12[C@@H](OC(C)=O)[C@@](C)(OC5=O)C4=O	100063877	PUNXZEDIXYLVKL-YDJRMEJJSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
N#C/C(C(=O)N1CCOCC1)=c1/s/c(=C\c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(=O)n1-c1ccccc1	102963822	AAZITEOSCNYCJP-ITMFGWALSA-N	545.621	2.159	30	40	KEEB	
O=[N+]([O-])c1ccc(COc2ccccc2/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1	4177396	JHRUQQAMRAMBCW-YZSQISJMSA-N	520.550	2.478	30	40	KEEB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(=O)/C=C/c3ccco3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	11024164	OQUGHBWMRWLNMR-MAGZKSAASA-N	543.525	2.211	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NC[C@H]1CCCO1	70692056	VZAWVTSMJHPGPY-ZKAIWDGKSA-N	543.657	2.184	30	40	KEEB	biogenic
Cc1ccc(S(=O)(=O)N/N=C(\c2nc3ccc([N+](=O)[O-])cc3[nH]c2=O)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	8653576	CTUJTVKFFGNKOR-PHRANEHHSA-N	538.498	2.464	30	40	KEEB	
C=C1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@@H](C(C)(C)O)[C@@]2(C)[C@H](O)CC(=O)OC)[C@@H]2C(=O)O[C@H](C)C(=O)[C@]12C	252516578	ULFKJYBJJZGQQP-VDRSFOGZSA-N	508.608	2.359	30	40	KEEB	biogenic,in-vitro
Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@H]4[C@H](O)[C@@H]1[C@@H]1[C@H](O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@]314)C2=O	2048392591	OYNIPTDPTUSUAY-HEFWRSKUSA-N	542.496	2.011	30	40	KEEB	biogenic
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C	102929160	SDVCCNJQDMFPDB-IAMBOQNYSA-N	526.546	2.470	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408948066	KCTNPEAQVSPSMO-KMCHCMRWSA-N	570.599	2.149	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OC)cc1OC	408955935	RAKATENEUQEOJV-GSJUJJHQSA-N	528.562	2.224	30	40	KEEB	
C=C1[C@]2(CCC(=O)OC2(C)C)C[C@@H](OC(=O)/C(C)=C/C)[C@@]2(C)[C@]34C(=O)O[C@@H](C)[C@@]35O[C@]12[C@@H](OC(C)=O)[C@@](C)(OC5=O)C4=O	100063869	PUNXZEDIXYLVKL-WMTYJBDYSA-N	600.617	2.202	30	40	KEEB	biogenic,in-vitro
CCOc1cc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCOC)ccc1O	102625221	GEIHMVUXKRZXRF-MRJHHRETSA-N	504.561	2.109	30	40	KEEB	
C=CCOc1ccc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)C(=O)C(=O)N2CCOC)cc1	102885951	FMVGCSJZTRZQCC-SBXHHDGASA-N	542.610	2.340	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	118917067	XQCGNURMLWFQJR-VBMDPCGVSA-N	548.673	2.433	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)c(OCC(=O)OC)c(OC)c1	408948896	LBEAPYOOMLDWPM-DHYSAPCYSA-N	621.043	2.421	30	40	KEEB	
CC(=O)Nc1ccc(S(=O)(=O)NC2=C([n+]3ccn(-c4ccccn4)c3)C(=O)c3ccccc3C2=O)cc1	15952709	GXVXYQHQZDIAQQ-UHFFFAOYSA-O	514.543	2.345	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)cc1	102517256	YJZWAODQYUIZFI-ZHHPLPSFSA-N	513.616	2.081	30	40	KEEB	
NC(=O)CNC(=O)[C@H]1CCCN1C(=O)[C@H]1CCCCNOC(=O)CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1	95550039	SILIGTWWNBSTBB-UPIAJAFBSA-N	834.931	2.192	30	40	KEEB	
COC(=O)c1ccc([C@H]2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102709478	HCWMIKKUSIOJFV-NXLSWJSLSA-N	522.554	2.388	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O	123331101	XQCGNURMLWFQJR-NYGOVHPRSA-N	548.673	2.433	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)C[C@H]2O)cc1	108853410	WKKHVMZOYIFZSA-VAMGGRTRSA-N	509.544	2.441	30	40	KEEB	
CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=Nn5cnc6c(ncn6[C@@H]6O[C@H](CO)[C@H](O)[C@@H]6O)c5=O)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C	263608111	SUSHPBOFGLYMMN-RHSDRHQFSA-N	991.017	2.154	30	40	KEEB	
CCOC(=O)N1CCN(c2c(/C=C3\SC(=S)N(C[C@@H]4CCCO4)C3=O)c(C)c(C#N)c(=O)n2C)CC1	100902225	IBFFNDIIZAPXDY-JJBLJPBOSA-N	531.660	2.224	30	40	KEEB	
COC1=C2C[C@H](C)C[C@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@H](OC(N)=O)[C@H](OC)/C=C/C=C(/C)C(=O)NC(=C(/C=N\N(C)C)C1=O)C2=O	104188655	CWGFPMGPQDJKNJ-BWSUMYRVSA-N	630.739	2.326	30	40	KEEB	
Cc1ccc(NN=c2[nH]c3nonc3[nH]c2=N/N=C\c2cc(Br)cc([N+](=O)[O-])c2O)cc1	408720649	BAGMTVQNECSBNT-ZBKNUEDVSA-N	500.273	2.426	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccccc1O)n2C[C@H](O)COc1ccc2ccccc2c1	8926247	UMXNRGOIMHYITN-LZKBWWOWSA-N	500.515	2.168	30	40	KEEB	
C=C1C[C@H]2[C@@]3(C)[C@@H](O)CC(=O)C(C)(C)[C@@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)[C@H]2C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@]12C	67911315	FFXYBQSGDXRLHS-AVYTXZIISA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
C=CCN1CCN(C(=O)c2cn(CC)nc2S(=O)(=O)N2CCN(c3cccc(Cl)c3)CC2)CC1	67337569	NVKIDOFLFQUCTD-UHFFFAOYSA-N	507.060	2.011	30	40	KEEB	
CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C(=O)/C=C/c2ccco2)cc1	100849134	OQUGHBWMRWLNMR-RFOKHJSASA-N	543.525	2.211	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118919025	BMCVYNOMKBSIRU-JYJOGRBRSA-N	571.715	2.389	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@H](O)c1cccc([N+](=O)[O-])c1	150405511	BQOROZCHRZDSIN-RRVSIJTPSA-N	668.696	2.100	30	40	KEEB	
CCCCCCCCCC(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2OC(=O)CC(C)C)O[C@@H](CO)[C@H](OC(=O)C(C)C)[C@H]1OC(=O)C(C)C	253529676	LOTLMZWGLBOKFL-FHWQJUIJSA-N	720.850	2.307	30	40	KEEB	biogenic,in-vitro
CC(=O)Nc1ccc(S(=O)(=O)N/N=C\c2cc(I)cc([N+](=O)[O-])c2O)cc1	8655520	JFEXLGYUCKKLPV-IUXPMGMMSA-N	504.262	2.176	30	40	KEEB	
CC(C)C[C@@H](NC(=O)[C@H](N)CCC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)ON1C(=O)CCC1=O	95550172	DYVHVMLSWFNVIT-WZJLIZBTSA-N	771.868	2.405	30	40	KEEB	
CC1(C)[C@H]2CC[C@]3(C)[C@H](C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O	257198910	LPLVUJXQOOQHMX-HGBVMRIOSA-N	822.942	2.246	30	40	KEEB	
C#CCOc1c(/C=N\N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC	408944452	GNPRUJVBJNORGK-WSJKLEBUSA-N	552.584	2.228	30	40	KEEB	
COc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1O[C@H](C)C(=O)O	409352431	CKSFQUHVRGRWMJ-SNVBAGLBSA-N	509.256	2.449	30	40	KEEB	
C/C(=N\OCC(=O)O[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)c1ccc2c(c1)OCO2	72135785	PJLOUSRBKGKTEV-CICSQNLLSA-N	547.586	2.056	30	40	KEEB	
CCCCN1C(=O)[C@@]2(C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046807	DMOOFYZMHJHHEP-NDEPHWFRSA-N	554.669	2.378	30	40	KEEB	
COc1c([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c(c1OC)OCO2	100255741	CDUSXLUTMZBOKK-JOCHJYFZSA-N	554.552	2.114	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C([C@H](CC(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3O)c3ccc4c(c3)OCO4)=C(O)C[C@@H]1C)C2=O	1547206040	MIFSASIOHTUMBY-SPOSWYNCSA-N	664.085	2.269	30	40	KEEB	
COc1cccc(/C=N/[C@@H]2[C@H](OC(C)=O)O[C@@H](COS(=O)(=O)c3ccc(C)cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)c1	105023581	WSUXRXAACFEEDA-MNYPCSKYSA-N	577.608	2.348	30	40	KEEB	
CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](OC(=O)CC(C)C)[C@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)[C@@H](O)C=CC=CC[C@@H](C)OC(=O)C[C@H]1O	255219346	IEMDOFXTVAPVLX-ADNGMUMBSA-N	785.969	2.443	30	40	KEEB	biogenic,in-vivo
Oc1c(Br)cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br	8716698	DEQCEXOUDRDCGU-SRZZPIQSSA-N	543.220	2.221	30	40	KEEB	
CCOC(=O)COc1cccc(/C=N\N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1	408942091	DMFIWHJJDOLTPD-VCFWFLAXSA-N	570.599	2.149	30	40	KEEB	
COc1ccc(OC)c([C@H]2/C(=C(\O)c3c(C)nc4ccccn34)C(=O)C(=O)N2CCN2CCOCC2)c1	102513999	FSWDNKVDNPEJTD-UVDRRRQGSA-N	506.559	2.414	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(O)c(OC)c1	102800707	ZFYITBZHZJDTQA-JBCNATCCSA-N	504.561	2.109	30	40	KEEB	
O=C1C(=C2N[C@@H](C(=O)O)[C@@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)C(=O)c2ccccc21	100910798	LTHAYVRJWBEWNN-JJRVBVJISA-N	548.861	2.157	30	40	KEEB	
CC1=C[C@@H]2O[C@H]3C[C@@H]4OC(=O)C=CC=C[C@H]([C@H](C)O)OCC[C@H](C)[C@H](O)C(=O)OC[C@]2(CC1)[C@@]4(C)[C@]31CO1	1073349414	NSFWWJIQIKBZMJ-ZTJDLNHISA-N	532.630	2.393	30	40	KEEB	biogenic
C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@]34C(=O)N(C)c3ccccc34)ccc2O1	24147319	DAAGQVQKARDOGO-JYRCXFKTSA-N	503.555	2.051	30	40	KEEB	
C=CCn1c(N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)nc2cc3c(cc2c1=O)OCCO3	28556031	QYPNUTUVECUUOU-UHFFFAOYSA-N	522.558	2.342	30	40	KEEB	
COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70697907	IZTYADBPMXUWSF-FEUKDRPYSA-N	571.667	2.053	30	40	KEEB	biogenic
CCOC(=O)[C@@H]1[C@@H](C(=O)OCC)[C@H]2C(=NNS(=O)(=O)c3ccc(C)cc3)[C@H]3[C@@H](C(=O)OCC)[C@@H](C(=O)OCC)[C@@H]3C(=NNS(=O)(=O)c3ccc(C)cc3)[C@H]12	150656790	BJTOMTVLFGSLED-ZFPJZCJWSA-N	788.898	2.495	30	40	KEEB	
C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@@]1(O)C[C@H](OC(C)=O)[C@@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	68602271	OICJJPULPAOUPO-BOXVETKYSA-N	534.602	2.436	30	40	KEEB	
O=C(C1=C(O)C(=O)N(CCCO)[C@H]1c1cccc(Br)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	98047312	XDCNROJKYNWHME-NRFANRHFSA-N	565.442	2.431	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	118921972	FWCFPYAVALXTLQ-VTHYCEIRSA-N	637.726	2.495	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cccc(OCC#N)c1	408949070	LICOGQFTMOMXEN-PUBGFQSKSA-N	523.546	2.109	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC#N)cc1	408958771	WRILYDIHUQQHHC-FTOQOJGFSA-N	523.546	2.109	30	40	KEEB	
CN/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1O)[C@@H](O)c1ccc([C@@H](O)/C(=N\NC)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	150436053	JNUXSNRWICAODT-QEEXOBGFSA-N	628.562	2.115	30	40	KEEB	
COC(=O)/C(=N\N)[C@H](C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1nc2ccc(C(=O)c3ccccc3)cc2nc1O	73336154	PYLQDVINPHITIN-MBLAXXOVSA-N	556.491	2.254	30	40	KEEB	
CN1C(=O)/C(=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)c2cc(Br)ccc21	97968812	JFKUVUOAKVGANS-WPWMEQJKSA-N	522.363	2.221	30	40	KEEB	
CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2)c1	16806208	UFKFGPPGSMAUBO-HSZRJFAPSA-N	513.616	2.238	30	40	KEEB	
COc1c([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c(c1OC)OCO2	100255743	CDUSXLUTMZBOKK-QFIPXVFZSA-N	554.552	2.114	30	40	KEEB	
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)O[C@H](C)[C@H]1O	257198599	DCUGDHFMGSIDFG-SJMIPAIQSA-N	591.742	2.298	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(O)cc1O	408958875	XFKKQWBFUASCLM-BKYYFFAYSA-N	626.404	2.223	30	40	KEEB	
C[C@@H](OC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)C(=O)NC1(C#N)CCCCC1	32945141	DJEQUHDTROWGES-QGZVFWFLSA-N	505.593	2.133	30	40	KEEB	
CN(C)c1ccc(/C=N/Nc2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2ccc(Br)cc2)cc1	97966566	FGBUZNNYXYTZEG-ROJKJRQJSA-N	556.421	2.138	30	40	KEEB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O	257199240	XLHAHJIHHKLTJD-MRWHCSGISA-N	531.646	2.104	30	40	KEEB	
COc1c(O)ccc(/C=N\N=c2[nH]c3nonc3[nH]c2=Nc2ccc(Br)cc2)c1[N+](=O)[O-]	408721196	MAWVPEXKXQGAFF-ZBKNUEDVSA-N	501.257	2.431	30	40	KEEB	
CC(=O)O[C@]1(C(=O)COC(=O)CCC(=O)N[C@@H](CO)C(=O)O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C	70692070	BKCAFXZIJWHGQX-QTZYLBDCSA-N	575.655	2.274	30	40	KEEB	biogenic
CNC(=O)[C@H](C)[C@H]1C(=O)/C(=C(O)/C=C/C(C)=C/[C@H](C)[C@H]2O[C@]3(C)O[C@@H](C=C[C@@]34CO4)[C@H]2C)C(=O)N1[C@@H]1CC[C@H](O)[C@H](C)O1	60184250	KVTPRMVXYZKLIG-UGAHUXTBSA-N	600.709	2.460	30	40	KEEB	
CCCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)O	79221103	UPGNPFVWNGZMBG-KRKDHTOPSA-N	646.778	2.377	30	40	KEEB	biogenic
C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118918587	KLVFPBQMCBMXDO-OHPNRBPASA-N	582.694	2.397	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(OC)cc1	38140078	UQJGCNYYTOZFMH-HSZRJFAPSA-N	530.599	2.331	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)C(/C=N\Nc2ccccc2)=N/Nc2ccccc2)cc1	104373192	CBQIYWDLSLNGTF-ABSATMTISA-N	512.588	2.349	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)c1C	8934760	QGFDPLXGZGMDPF-JOCHJYFZSA-N	527.574	2.346	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	17208544	ANXSREHWOYLXOL-NRFANRHFSA-N	504.561	2.179	30	40	KEEB	
COc1cc([N+](=O)[O-])c(S(=O)(=O)O)cc1/N=N/C=N\Nc1cc(S(=O)(=O)O)c([N+](=O)[O-])cc1OC	104227663	RQVAPAGNJURXBL-HFOZLDNJSA-N	534.441	2.153	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1cc(OC)c(OC)c(OC)c1	408958465	VWJJLUGAGWRBDY-IRWRDOPVSA-N	558.588	2.233	30	40	KEEB	
COC(=O)[C@]1([C@H]2CCC(=O)N2)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288259	YRDWMYMUXJIKKU-HFDZTGHKSA-N	571.538	2.492	30	40	KEEB	biogenic,in-vitro
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100874643	WMEAMEHAUYMKNS-LNVKXUELSA-N	506.631	2.062	30	40	KEEB	
C=C1C(=O)[C@@]23[C@@H]([C@@H](OC(C)=O)C[C@@H]1[C@H]2OC(C)=O)[C@]1(C=O)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	4268201	PYYXKWSPHKCMGX-CJDRDUEGSA-N	532.586	2.500	30	40	KEEB	
CSCC[C@H](NC(=O)[C@@H](C)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C)C(=O)O	150344989	CSXOSSFEQCYOIV-SAIQPYLHSA-N	662.802	2.148	30	40	KEEB	
N#CCCOC[C@@H](OCCC#N)[C@H](OCCC#N)[C@H](OCCC#N)[C@@H](COCCC#N)OCCC#N	18060830	SIPCQLNTTKBLSF-YCAMKHIRSA-N	500.556	2.042	30	40	KEEB	
COc1cc(/C=N/Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(Br)c(Br)c1O	97948473	PSLZSIXTPPFJSA-SSDVNMTOSA-N	573.246	2.230	30	40	KEEB	
CN(C)CCN1C(=O)C(O)=C(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)[C@]12C(=O)N(C)c1ccccc12	98046772	MXHLKUMGKAKLAD-MUUNZHRXSA-N	552.653	2.132	30	40	KEEB	
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C)C(=O)N[C@@H](CCSC)C(=O)O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118920538	ROTCNZAVWSFMFU-ARTFNDDNSA-N	603.782	2.484	30	40	KEEB	
C=CCN1C(=O)NC(=O)[C@@](Cc2ccc(OCC)cc2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	217375344	BJDYOFQDYUDJKZ-BALWLHIASA-N	504.587	2.160	30	40	KEEB	
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)O	118921774	FZNFCHGHSNMDIF-KHUCASGHSA-N	503.592	2.343	30	40	KEEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408956954	RXIZMFCMKDFMLU-VFCBNBPQSA-N	522.558	2.219	30	40	KEEB	
COc1cc(/C=N/NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1	14359031	VYJITHCCHLDXSE-GFBWLHLPSA-N	520.564	2.239	30	40	KEEB	
CCc1ccc([C@H]2C(C(=O)c3cccc(S(=O)(=O)N(C)C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1	16742211	KMFLGXZJWXGJNP-DEOSSOPVSA-N	527.643	2.410	30	40	KEEB	
CSCC[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)O	118920542	JMHBPDMXNPKEIY-HWFKICPOSA-N	593.739	2.435	30	40	KEEB	
CON(C)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)S/C2=N\c2cccc(S(=O)(=O)N(C)C)c2)c1	97981032	LBAQXPGAWHAEID-JUUUUTHISA-N	526.662	2.384	30	40	KEEB	
C=C(C)[C@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	2037931657	WOOPUJXMROOOPP-RUNWYGGXSA-N	897.109	2.229	30	40	KEEB	
O=C(COC(=O)COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1	15913898	LBWPRZUXUPJREB-UHFFFAOYSA-N	504.521	2.406	30	40	KEEB	
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C/c1ccc(Br)cc1)n2C[C@H](O)COc1ccccc1	6444786	XLYFRCWPJXQJAR-PZLKWIMZSA-N	513.352	2.072	30	40	KEEB	
O=C(O)CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccccc1I	9446394	JJEHWXOAIUJGGF-BFESSNOMSA-N	508.359	2.148	30	40	KEEB	
C=CCOC(=O)[C@H]1O[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)[C@H](O)[C@H](O)[C@H]1O	35643974	WNQJKISLWOVAQH-YFZQLAKJSA-N	512.342	2.360	30	40	KEEB	in-vitro
CC1=C2C(=O)[C@@H]3[C@@H](CC=C4C[C@H](O[C@H]5O[C@@H](O)[C@@H](O)[C@@H](O)[C@H]5CO)CC[C@@]43C)[C@H]2CC[C@@]12O[C@@H]1C[C@H](C)CN[C@@H]1[C@@H]2C	38151490	WOWOEXHOMMENAS-UPAWIUODSA-N	587.754	2.210	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875696	BWYNSJPOPFQNGH-BZZOAKBMSA-N	532.669	2.145	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)/C(=C/NCc3ccc(S(N)(=O)=O)cc3)C(=O)C[C@H]1C)C2=O	1547139346	NWXCYASTNWBCML-PLMWGTDOSA-N	534.974	2.170	30	40	KEEB	
COc1ccc(S(=O)(=O)N/N=C/c2cc([N+](=O)[O-])cc(I)c2O)cc1OC	1614309	DTZJTVLJCWHTOV-CAOOACKPSA-N	507.262	2.235	30	40	KEEB	
Cc1ccc(S(=O)(=O)/N=C(/CN2CCOCC2)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1	97965432	AZKHRUKPQQWYGX-ZCCPQQFYSA-N	534.704	2.403	30	40	KEEB	
CCN1C(=O)[C@]2(C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21	98046824	XINIMCLFVDDBCE-GDLZYMKVSA-N	533.581	2.279	30	40	KEEB	
C=CCN1C(=O)NC(=O)[C@](Cc2ccc(OCC)cc2)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O	217375261	BJDYOFQDYUDJKZ-GTNJKRJXSA-N	504.587	2.160	30	40	KEEB	
CC(=N/C(O)=C(/Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O	1560410662	DEFJEQUMYBZJLO-DIKIGFAVSA-N	871.016	2.343	30	40	KEEB	
N#C/C(C(=O)NCCN1CCOCC1)=c1/s/c(=C/c2cccc(Cl)c2Cl)c(=O)n1-c1ccc(F)cc1	97981761	OBLDEYGWLAEQMU-DLHBZIMTSA-N	547.439	2.296	30	40	KEEB	
CCOc1cc([C@@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCOC)ccc1O	102625216	GEIHMVUXKRZXRF-JBCNATCCSA-N	504.561	2.109	30	40	KEEB	
CO[C@@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@H](N(C)C(C)=O)[C@@H]1OS(=O)(=O)c1ccc(C)cc1	104090091	HTPYQNQCFQIXMA-WZYRSQIMSA-N	527.617	2.001	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(O)c1	9243529	KHKSGALONOEOFO-JOCHJYFZSA-N	516.572	2.028	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O	70708356	DCUGDHFMGSIDFG-OJTKGDOSSA-N	591.742	2.298	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1cc(OC)ccc1OC	408948815	KXHLCVYEIYUXSE-YAIIYLDSSA-N	528.562	2.224	30	40	KEEB	
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	8789662	CESZBWDCEVHSEC-BKOPIUGPSA-N	517.623	2.087	30	40	KEEB	
COC1=C2C[C@@H](C)C[C@@H](OC)[C@@H](O)[C@H](C)/C=C(\C)[C@@H](OC(N)=O)[C@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O	8234390	QTQAWLPCGQOSGP-VKNBREQOSA-N	560.644	2.408	30	40	KEEB	in-vitro
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N	16043462	JMEPDQNGJPDHJL-SJDLMVEWSA-N	507.912	2.180	30	40	KEEB	
C=CCn1c(SCC(=O)Nc2cccc(C(=O)O)c2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	72191549	SLBVEISHIFRYFQ-IBGZPJMESA-N	511.560	2.365	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OC(C)=O)c(OC)c1	408946252	IHEZVKBGSGNSAN-JYUWGMNDSA-N	556.572	2.141	30	40	KEEB	
CC(=O)O[C@H]1C[C@@H]2C(=O)C=C3[C@H](CC[C@]4(C)[C@@H]([C@@](C)(O)[C@H](O)CCC(C)(C)O)CC[C@@]34O)[C@@]2(C)C[C@H]1O	1775937565	UWFCFVQTAHITKV-ICMBRTTDSA-N	522.679	2.425	30	40	KEEB	
CCCCCN(C(=O)CCC(=O)OCC(=O)N(CC#N)c1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O	38139365	MZNORZVJARJOHO-UHFFFAOYSA-N	540.621	2.322	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@H](n2c(C)c(C)c(C)c(C#N)c2=S)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5956174	BRAOXIPLUVPZOV-MNVIUDHYSA-N	508.549	2.270	30	40	KEEB	
O=C1C(S(=O)(=O)O)=Cc2cc(S(=O)(=O)O)ccc2/C1=N\Nc1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)cc1S(=O)(=O)O	95736089	RKNMXKUOQDDLGF-POVUZCFVSA-N	672.653	2.470	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(O)c1	9243535	KHKSGALONOEOFO-QFIPXVFZSA-N	516.572	2.028	30	40	KEEB	
COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(O)cc1	9329225	IBZFYYQWQUBBIX-QFIPXVFZSA-N	516.572	2.028	30	40	KEEB	
COc1ccc(OC[C@H](O)Cn2c(N/N=C/c3cccc(Br)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1	100364965	XCKPLGLGYBFTQF-FVWOBLMASA-N	543.378	2.080	30	40	KEEB	
CC1(C)[C@H]2CC[C@]3(C)[C@@H](C(=O)C=C4[C@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@]43C)[C@@]2(C)CC[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]1O	257198911	LPLVUJXQOOQHMX-QIBUYKOUSA-N	822.942	2.246	30	40	KEEB	
C=C1[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)C(C)(C)C=C[C@@H](C)C(=O)[C@@]2(OC(C)=O)C[C@@](C)(OC(C)=O)[C@H](OC(C)=O)[C@@H]2[C@H]1OC(C)=O	958317962	OFUTZNNUWRTXHO-OCMLSSJQSA-N	650.674	2.283	30	40	KEEB	
C=C1C[C@H]2[C@@](C)([C@@H]3C(=O)O[C@@](C)(C(=O)OC)C(=O)[C@@]13C)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1C(C)(C)C(=O)C[C@@H](O)[C@]12C	248330056	FFXYBQSGDXRLHS-OPPVGDKJSA-N	576.639	2.108	30	40	KEEB	biogenic,in-vitro
CO[C@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/CCO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O	257198600	DCUGDHFMGSIDFG-WHBJILOSSA-N	591.742	2.298	30	40	KEEB	
CCOC(=O)COc1ccc(/C=N/N[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC	408958454	VVNIGVXGTAWOOC-VADOVIKSSA-N	600.625	2.158	30	40	KEEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(Br)c1OCC(=O)N1CCOCC1	409361696	DRTOKTVYDKXJGD-UHFFFAOYSA-N	531.363	2.383	30	40	KEEB	
COc1ccc(CC(=O)/N=C2/S[C@H]3CS(=O)(=O)C[C@@H]3N2Cc2ccc3c(c2)OCO3)cc1OC	32507868	ZBKVJANXBCZECQ-WSNUUQNJSA-N	504.586	2.272	30	40	KEEB	
COC(=O)CN(CC(=O)OC)CC1=C/C(=C(/c2cc(C)c(O)c(CN(CC(=O)OC)CC(=O)OC)c2)c2ccccc2S(=O)(=O)O)C=C(C)C1=O	97969971	QCZUZGPGSVSWND-GIBOGKFOSA-N	728.773	2.001	30	40	KEEB	
CCCCN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2CCN(C)C)c2ccccc21	98046868	YSVZWULEFYDYBX-NDEPHWFRSA-N	554.669	2.378	30	40	KEEB	
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@H](CC(N)=O)[C@H]2C(=O)N(c3sc4c(c3C#N)CCCC4)C(=O)[C@H]21	2207006	SRSIIWWJRGRROL-XBBAGBNQSA-N	524.002	2.261	30	40	KEEB	
CCOC(=O)c1ccc(NC(=O)C[C@@H]2S/C(=N/NC3=NC(=O)CS3)N(Cc3ccco3)C2=O)cc1	16779518	PQHTWIOCCFMUAF-NTXFERMYSA-N	515.573	2.419	30	40	KEEB	
C=CCn1c(SCC(=O)N(C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nnc1-c1ccccc1OC	38139440	DIPYDOLECGYDBB-UHFFFAOYSA-N	533.614	2.375	30	40	KEEB	
COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c1C	8934761	PAKZQOGMLPCKAS-HSZRJFAPSA-N	527.574	2.346	30	40	KEEB	
C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@]34C(=O)N(C)c3ccccc34)ccc2O1	24147329	DAAGQVQKARDOGO-HPGBDJQBSA-N	503.555	2.051	30	40	KEEB	
C#CCOc1ccc(/C=N/N[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1	408956947	RXIZMFCMKDFMLU-BXLJIYODSA-N	522.558	2.219	30	40	KEEB	
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(OC)c(OC)c1	102575682	DSFWETPBEWHEPE-MOBKVPTQSA-N	518.588	2.412	30	40	KEEB	
Cc1ccccc1OC[C@@H](O)Cn1c(N/N=C/c2ccc(Br)cc2)nc2c1c(=O)[nH]c(=O)n2C	100267565	QNPIQDJBHUMXDV-XMQIJXBMSA-N	527.379	2.380	30	40	KEEB	
Cc1cc(O)c2c(c1)C(=O)[C@@]13C(=C(O)[C@@H]4[C@H](O)[C@@H]1[C@@H]1[C@@H](O)[C@@H]3C(O)=C3C(=O)c5c(O)cc(C)cc5C(=O)[C@@]341)C2=O	257508397	OYNIPTDPTUSUAY-IYOXPPLSSA-N	542.496	2.011	30	40	KEEB	biogenic,in-vitro
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](CC(N)=O)C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C	85907152	CESZBWDCEVHSEC-RIXPBLSDSA-N	517.623	2.087	30	40	KEEB	
CN(C)S(=O)(=O)c1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccs2)cc1	102926160	RPJUMAUCSPIONY-MRJHHRETSA-N	519.645	2.142	30	40	KEEB	
O=C(C[C@@H]1S/C(=N/N=C/c2cccnc2)NC1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1	8722411	CKLKWTHCZWJXJF-WWJLXRQJSA-N	500.606	2.207	30	40	KEEB	
COc1cccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cc(OC)c3c(c2OC)OCO3)c1	85412647	ZMJAEOLDJJKDNE-NRFANRHFSA-N	526.542	2.352	30	40	KEEB	
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N1CCC[C@@H]1C(=O)O	70692160	GIZFZIKMEJJING-IVUFXSTKSA-N	557.640	2.397	30	40	KEEB	biogenic
Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@]3(COS(=O)(=O)c4ccc(C)cc4)OC(C)(C)O[C@@H]3[C@@H]2O)cc1	72399772	RWMGKKKBAWACGX-FQOCKNPQSA-N	528.601	2.022	30	40	KEEB	
CC(=O)Nc1cccc(/N=C\c2ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)cc2C)c1	104147614	WKLOOGGQNUYHCL-KQWNVCNZSA-N	511.622	2.463	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc([N+](=O)[O-])cc1	408957402	SWWDNQZHUHMNJQ-DEHLXGDFSA-N	513.507	2.115	30	40	KEEB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CC#CCN1CCN(CC#CCN3C(=O)[C@@H]4CC[C@@](C)(C3=O)C4(C)C)CC1)C2=O	100671862	BCGSWEBHVBXHSR-UVCGIMRYSA-N	548.728	2.233	30	40	KEEB	
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2	408927417	WQVAEBKXIYNCDW-VVOOWDFBSA-N	503.536	2.429	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)cc1	408958773	WRILYDIHUQQHHC-RFZOYCFOSA-N	523.546	2.109	30	40	KEEB	
COc1cc(/C=N/NC(N)=S)cc(I)c1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1	408890951	IVWOGFJUYAHSSI-QGMBQPNBSA-N	536.329	2.143	30	40	KEEB	
CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/NC(N)=S)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O	70708256	HALDTNRHXOYUHF-AAEAKTTNSA-N	621.797	2.053	30	40	KEEB	biogenic
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	79216798	IANDTMRUEFTZQG-FLBCVIDLSA-N	670.712	2.324	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1ccc(OCC(=O)O)c(I)c1	408943565	FWKOVHOXJGPUEN-PVFGUTFKSA-N	668.441	2.275	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C\c1ccccc1OC(C)=O	408958522	WDZUANHQJAHGEI-YAIIYLDSSA-N	526.546	2.132	30	40	KEEB	
COc1c([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCN2CCOCC2)cc2c(c1OC)OCO2	100254568	WEQZPOQQNLARBT-OAQYLSRUSA-N	540.525	2.072	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](n2c(C)c(C)c(C)c(C#N)c2=S)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	5956172	BRAOXIPLUVPZOV-ZSYZGHEHSA-N	508.549	2.270	30	40	KEEB	
COc1ccc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)c(C(=O)O)c1OC	12531211	ZRNFULZJRMKXGF-JFLMPSFJSA-N	520.546	2.228	30	40	KEEB	
C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(C#N)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O	257199242	XLHAHJIHHKLTJD-QCPOMUHFSA-N	531.646	2.104	30	40	KEEB	
Cc1ccc(C(=O)Oc2ccc(/C=N/Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)cc1[N+](=O)[O-]	100506960	NHJPEBJHUUJPOW-WPWMEQJKSA-N	548.560	2.427	30	40	KEEB	
CC/C(C)=N\Oc1nc(NC(=O)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)nc(N2CCOCC2)n1	102442937	UYJMJHXZJFWTOP-BCHBDCPOSA-N	562.487	2.310	30	40	KEEB	
CC(C)[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@@]21C)C(=O)N1CCC[C@@H]1C(=O)O	217344813	OBKXXOQKGPZOES-RYPRAOHTSA-N	658.789	2.329	30	40	KEEB	
COCc1cn([C@@H]2CC[C@H]3CCOc4ccccc4C(=O)N4CCN(Cc5ccc(C#N)cc5)C[C@H]4C(=O)NC[C@H]2O3)nn1	253401822	NNMHAJIULDLHJE-RKDXIHMYSA-N	599.692	2.310	30	40	KEEB	
O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1	13130233	SMNUQKRKHYKTEH-VWLOTQADSA-N	509.588	2.269	30	40	KEEB	
CC1(C)CC(=O)C(=CNCCN2CCN([C@H]3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)C(=O)C1	100153793	WZORBHYROOBBTP-FQEVSTJZSA-N	504.990	2.160	30	40	KEEB	
COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C	102883267	YHVLKSOMQKGIMN-OBVHCKHUSA-N	512.519	2.080	30	40	KEEB	
C/C(=C\[C@@H](O)[C@H]1OC1(C)C)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@]12C	2061000512	OUICDHFBMJCDTL-UHJOYFFRSA-N	652.866	2.283	30	40	KEEB	
Cc1ccc(S(=O)(=O)OC[C@H](O)[C@H](O)[C@H](O)C(/C=N/Nc2ccccc2)=N/Nc2ccccc2)cc1	104373198	CBQIYWDLSLNGTF-HRVIKJPOSA-N	512.588	2.349	30	40	KEEB	
C#CCOc1c(I)cc(I)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	408733175	WOFJVMRWISYANF-UHFFFAOYSA-N	550.090	2.342	30	40	KEEB	
COc1ccc(NC(=O)CSc2nnc(-c3cc[n+](CC(=O)Nc4ccc(OC)c(OC)c4)cc3)n2N)cc1OC	97971301	BTETUNIRWOATRN-UHFFFAOYSA-O	580.647	2.350	30	40	KEEB	
CCOC(=O)COc1ccccc1/C=N\N[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC	408953533	ONZYIIJBVZUYTH-VCFWFLAXSA-N	570.599	2.149	30	40	KEEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(I)c1O[C@H](C)C(=O)O	409402176	DCIFUAOEBPCHDE-HTJBVVOSSA-N	510.284	2.293	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(Nc3ccccc3-c3nnn(CC(N)=O)n3)C[C@H]1C)C2=O	604404389	GDWSQYLIIUKSGM-YDBLSZJJSA-N	538.948	2.415	30	40	KEEB	biogenic
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C\c1cc(OC)c(OC(C)=O)c(OC)c1	408951708	NIBQSISRKOQGOO-ROPFDBBHSA-N	586.598	2.150	30	40	KEEB	
C=C(C)COc1ccc([C@H](CC(=O)OC)c2oc(CN3CCN(C=O)CC3)cc(=O)c2O)cc1OC	524731825	LYBLECXHQJXBKY-FQEVSTJZSA-N	500.548	2.278	30	40	KEEB	biogenic
Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)/N=C3/CCCCCN3)c2)cc1C	17595762	UOKNRPBZRQRPQO-UHFFFAOYSA-N	550.659	2.014	30	40	KEEB	
COc1ccc(CCN(CCC[C@](C#N)(c2ccc(OC)c(OC)c2)C(C)C)[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1OC	77312004	PMBMAYXZKGXGNE-NXKFKDRISA-N	616.708	2.355	30	40	KEEB	in-vitro
c1ccc2c(c1)n(C[C@@H]1CO1)c(CCCCc1n(C[C@@H]3CO3)c3ccccc3[n+]1C[C@@H]1CO1)[n+]2C[C@@H]1CO1	100707404	LTBIBAOORDTRQL-MOUTVQLLSA-N	516.642	2.332	30	40	KEEB	
CCOc1cc(Br)c(N2/C(=N\C(=O)COC)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1OCC	101311276	KVHGWWHZOLTQKZ-XUAZZVRSSA-N	507.428	2.494	30	40	KEEB	
Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(OCC(=O)N2CCOCC2)c([N+](=O)[O-])c1	409295237	QHWVHTWCFHVSBG-UHFFFAOYSA-N	530.335	2.495	30	40	KEEB	
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	70692299	FWCFPYAVALXTLQ-YKSMDOFHSA-N	637.726	2.495	30	40	KEEB	biogenic
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc(C(=O)/C=C/c2ccco2)cc1	100849133	OQUGHBWMRWLNMR-XVZJEBPZSA-N	543.525	2.211	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C(=O)C([C@H](CC(=O)N[C@@H]3CS(=O)(=O)C[C@H]3O)c3ccc4c(c3)OCO4)=C(O)C[C@@H]1C)C2=O	1547206038	MIFSASIOHTUMBY-JIMVVFPUSA-N	664.085	2.269	30	40	KEEB	
CCCN1C(=O)[C@]2(C(C(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)=C(O)C(=O)N2CCCN(C)C)c2ccccc21	98046800	SYNHBLKCKKKIHN-SSEXGKCCSA-N	596.706	2.148	30	40	KEEB	
CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O)[C@@H]1O	150339939	DWCYDOMADJBCEO-HPHCXOGTSA-N	758.951	2.487	30	40	KEEB	
C=CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1	1755688	PKOGCGUOHFHVLU-FEYWKWKCSA-N	529.574	2.236	30	40	KEEB	
COc1ccc(/C=c2/sc3n(c2=O)C(N)=C(C(=O)c2ccccc2)[C@@H](c2ccc(OC)cc2)C=3C(N)=O)cc1	101461692	KUNRWDQXJRHPSZ-PLJYQOKSSA-N	539.613	2.199	30	40	KEEB	
C=C1C(=O)[C@@]23[C@H](OC(C)=O)[C@@]1(O)C[C@H](OC(C)=O)[C@H]2[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@H]1C[C@H]3OC(C)=O	245240117	OICJJPULPAOUPO-GGVXGPLPSA-N	534.602	2.436	30	40	KEEB	
N#CCc1ccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)cc1	408829075	KKFVXTATJMXVHO-DEOSSOPVSA-N	524.624	2.455	30	40	KEEB	
CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(/C(=N\O)c3ccccc3)c(O)c2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	100955112	LGGWIFCVDQIBES-CMFRFWNJSA-N	559.524	2.081	30	40	KEEB	
COc1c(/C=N/Nc2nc(=NCc3ccccc3)nc(N3CCOCC3)[nH]2)cc([N+](=O)[O-])cc1[N+](=O)[O-]	408718569	ZQAMJXXHLAFQMR-ZVHZXABRSA-N	509.483	2.013	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1ccc(Cl)cc1	102891174	UWHZEAKCCYALMP-MRJHHRETSA-N	520.991	2.429	30	40	KEEB	
CC[C@@H]1OC(=O)[C@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@H](C)O2)[C@H](C)[C@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@@H]2O)[C@](C)(O)C[C@H](C)C(=NO)[C@H](C)[C@H](O)[C@]1(C)O	306146618	KYTWXIARANQMCA-JIENXBJISA-N	748.952	2.047	30	40	KEEB	
C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](COC)[C@H](O)[C@H](O)[C@@H]2NC(C)=O)O1)[C@@H]1CC[C@@H]2[C@]3(C)CC[C@H](C(C)(C)O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4NC(C)=O)O[C@@H]3CC[C@]12C	1775964028	ONOBZRVXUMNVLN-UVUHMCKGSA-N	913.156	2.134	30	40	KEEB	biogenic,in-vitro
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)CC1	97982574	OQZUFFIAHWNMSU-UHFFFAOYSA-N	535.607	2.266	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	79221003	VQJREPKBHCUTJQ-ZIPYWAHQSA-N	655.741	2.424	30	40	KEEB	biogenic
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1ccc(OC)cc1	102884772	OAEAPXOAZKGERG-ZHHPLPSFSA-N	530.599	2.174	30	40	KEEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)c(Br)cc1OCC(=O)N1CCOCC1	409346335	KMPSJXHJOKJLGY-UHFFFAOYSA-N	531.363	2.383	30	40	KEEB	
COC(=O)C[C@@H]1SC(=O)N/C1=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1	13688361	NSZWILXHNFACMM-QWRGUYRKSA-N	514.383	2.067	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)N[C@H](CC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918837	ABINSSSHOUBAOH-WESOBJQRSA-N	598.741	2.272	30	40	KEEB	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5ccccc5)C(=O)O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	118935023	KLVFPBQMCBMXDO-FIEIUMCKSA-N	582.694	2.397	30	40	KEEB	
NC(=O)COc1c(I)cc(C=Nn2c(O)nc3ccccc3c2=O)cc1I	409358104	KHSPDIVMMUFXCR-UHFFFAOYSA-N	590.115	2.058	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@]1(C2=O)C(O)=C([C@H](CC(=O)N[C@@H](C)C(=O)NCc2cc(=O)n(C)c(=O)n2C)c2ccc3c(c2)OCO3)C(=O)C[C@H]1C	1547139000	YCHJQPNNQKQGMO-ZEGQEZEASA-N	753.161	2.213	30	40	KEEB	biogenic
NC(=O)C1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1	9057767	NCBMMENYJHPYPJ-UHFFFAOYSA-N	518.389	2.216	30	40	KEEB	
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)N[C@H](CC(N)=O)C(=O)O)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C	118918838	ABINSSSHOUBAOH-VQXKOVJASA-N	598.741	2.272	30	40	KEEB	
CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)c2C(N)=O)C1	97963564	UYVBMTALKQICKU-UHFFFAOYSA-N	558.642	2.432	30	40	KEEB	
C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)N3CCOCC3)C2=O)cc1OC	214656980	HSDSEDKLCLAFTR-LFIBNONCSA-N	542.351	2.207	30	40	KEEB	
C=CCOC(=O)[C@@H]1O[C@H](OC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)[C@H](O)[C@@H](O)[C@H]1O	44963145	WNQJKISLWOVAQH-IIDPUWFRSA-N	512.342	2.360	30	40	KEEB	in-vitro
CON=C(C(=O)N[C@H]1[C]2SCC(/C=C\c3scnc3C)=C(C(=O)OCOC(=O)C(C)(C)C)N2C1=O)c1csc(N)n1	1560407689	SKXIIHGFBIVPSZ-FWLOWGSXSA-N	619.727	2.462	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)sc2cc(S(N)(=O)=O)ccc21	8684002	WTVJZMIODVQLNU-SGEDCAFJSA-N	566.686	2.472	30	40	KEEB	
N#CC#Cc1ccc(NC(=O)CCCNC(=O)CCOCCOCCOCCOCCN=[N+]=[N-])cc1	953126600	JKVJRGOKGCBEJR-UHFFFAOYSA-N	500.556	2.163	30	40	KEEB	
C=CCn1c(N2CCN(S(=O)(=O)c3cc(C)ccc3OC)CC2)nc2cc3c(cc2c1=O)OCCO3	28558710	IBDWMOZMRNBOCG-UHFFFAOYSA-N	512.588	2.182	30	40	KEEB	
C=CCN1CCN(C(=O)c2cn(CCC)nc2S(=O)(=O)N2CCN(c3ccccc3Cl)CC2)CC1	67337390	YEKSGVQGUSHWTD-UHFFFAOYSA-N	521.087	2.401	30	40	KEEB	
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCC#N)CCC#N)cc2)sc2cc(OC)ccc21	101181078	RFQVYZJSTNWBLM-PNHLSOANSA-N	541.611	2.444	30	40	KEEB	
COc1cc([C@H]2C3=C(C[C@@H](C)[C@]4(Oc5c(Cl)c(OC)cc(OC)c5C4=O)C3=O)Nc3c2c(=O)n(C)c(=O)n3C)ccc1OCC(N)=O	524730650	RGROTCOSMRMSES-CHWHWVKLSA-N	667.071	2.062	30	40	KEEB	biogenic
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C	118921965	FWCFPYAVALXTLQ-YFDUHBJYSA-N	637.726	2.495	30	40	KEEB	
COC(=O)[C@@]1([C@H]2CCC(=O)N2)CC(=O)c2c(cc3c(c2O)[C@H]2C=C[C@@]4(C3)C(=O)c3cc(C)cc(O)c3C(O)=C4C2=O)O1	514288261	YRDWMYMUXJIKKU-XPNQTQKBSA-N	571.538	2.492	30	40	KEEB	biogenic,in-vitro
O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1	98047027	UGQLHUIISQZFDQ-DEOSSOPVSA-N	620.522	2.381	30	40	KEEB	
O=C1C(=C2N[C@H](C(=O)O)[C@H]3C(=O)N(CCNc4ncc(C(F)(F)F)cc4Cl)C(=O)[C@H]23)C(=O)c2ccccc21	106336450	LTHAYVRJWBEWNN-ZQIUZPCESA-N	548.861	2.157	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(I)c(OCC(=O)OC)c(OC)c1	408950654	MKNFMAVTTVIRSV-QNNRQLQASA-N	712.494	2.372	30	40	KEEB	
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/[C@H]1C(=O)N(c2ccccc2)N=C1C	408953654	OVIRBKXUABUXOY-KBNRNDQJSA-N	564.599	2.198	30	40	KEEB	
c1ccc2c(c1)n(C[C@H]1CO1)c(CCCCc1n(C[C@@H]3CO3)c3ccccc3[n+]1C[C@@H]1CO1)[n+]2C[C@H]1CO1	106533766	LTBIBAOORDTRQL-SWIJEOLNSA-N	516.642	2.332	30	40	KEEB	
COc1cccc(/C=N/[C@@H]2[C@H](OC(C)=O)O[C@H](COS(=O)(=O)c3ccc(C)cc3)[C@H](OC(C)=O)[C@H]2OC(C)=O)c1	143567192	WSUXRXAACFEEDA-FJSXZCTDSA-N	577.608	2.348	30	40	KEEB	
CS(=O)(=O)N(CCC#N)Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)o1	105965107	VDRVTXIIMQOZPR-GZTJUZNOSA-N	521.349	2.384	30	40	KEEB	
COc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)c(Br)c(Cl)c1OCC(=O)N1CCOCC1	409409393	UZQCOQUKJBLVPL-DSIZOQBWSA-N	552.809	2.490	30	40	KEEB	
CC(=O)O[C@@H]1C[C@@]2(O)C(COC(=O)[C@@H](OC(=O)CC(C)C)C(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]12CO2	1077996751	QPMVBTMUWDUUTJ-VHDWIVMTSA-N	540.606	2.425	30	40	KEEB	biogenic
COc1ccc(/C(C)=N/NC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)c(OC)c1	102932301	WGIAKRIXOZCROM-OVVQPSECSA-N	563.702	2.272	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(Cl)cc([N+](=O)[O-])c1O	408943532	FVTAKLNFFMBSIQ-WPABUHHYSA-N	563.951	2.474	30	40	KEEB	
CCOc1cc(C=Nn2c(O)nc3ccccc3c2=O)cc(I)c1OCC(=O)N1CCOCC1	409353170	HPZUDVZJFGOSHP-UHFFFAOYSA-N	578.363	2.225	30	40	KEEB	
O=[N+]([O-])c1ccc(N2CCOCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c1	100475885	FFJRVWGURCNMQL-LGUFXXKBSA-N	545.618	2.040	30	40	KEEB	
COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	102556873	FUSSCEUZVFNMDZ-MRJHHRETSA-N	534.587	2.031	30	40	KEEB	
Oc1c(Br)cc(/C=N\Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1Br	103429338	DEQCEXOUDRDCGU-NHDPSOOVSA-N	543.220	2.221	30	40	KEEB	
COc1cc(OC)c2c(c1Cl)O[C@@]1(C(=O)C=C(NCc3noc([C@@H]4CCC(=O)N4)n3)C[C@H]1C)C2=O	604404129	KAHHMZOYJTZOQM-YHBNFXLMSA-N	502.911	2.288	30	40	KEEB	biogenic
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](CO)NC(=O)c1ccc(OC)cc1	408595396	IPUDKEJCCXNSQD-FQEVSTJZSA-N	525.587	2.454	30	40	KEEB	
COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cc(OC)c(OC)c(OC)c1	97954932	CLMRRFBYGCOITI-NRFANRHFSA-N	534.587	2.187	30	40	KEEB	
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)/C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O	85867249	KYTWXIARANQMCA-LGTZMOOZSA-N	748.952	2.047	30	40	KEEB	biogenic
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/[C@@H]1C(=O)N(c2ccccc2)N=C1C	408953640	OVIRBKXUABUXOY-BFIRPKOOSA-N	564.599	2.198	30	40	KEEB	
COc1ccc(OC[C@@H](O)Cn2c(N/N=C(\C)c3ccc(Cl)cc3)nc3c2c(=O)[nH]c(=O)n3C)cc1	8396650	OYTUANYUGPEYBO-GRJIBALVSA-N	512.954	2.361	30	40	KEEB	
COC(=O)[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@H](O)C[C@@]21C	150402899	XGPZAUVGPYBEHV-RNZLGKITSA-N	682.723	2.403	30	40	KEEB	
C/C(=N\Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1	408718640	NWOCEOXDICKZHO-VOFJKJCTSA-N	534.621	2.061	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N/N=C/c1cc(OC)c(OC)c(OC)c1	408958467	VWJJLUGAGWRBDY-JKUJXJLCSA-N	558.588	2.233	30	40	KEEB	
CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(CC#CCN1CCN(CC#CCN3C(=O)[C@@H]4CC[C@@](C)(C3=O)C4(C)C)CC1)C2=O	100671859	BCGSWEBHVBXHSR-LOWUIPEASA-N	548.728	2.233	30	40	KEEB	
COc1ccc([C@H]2/C(=C(\O)c3ccc(S(=O)(=O)N(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1	102856383	XMXUTXNRVNCZSR-NXLSWJSLSA-N	543.642	2.090	30	40	KEEB	
C=C1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@@H](C(C)(C)O)[C@@]2(C)[C@H](O)CC(=O)OC)[C@@H]2C(=O)O[C@H](C)C(=O)[C@@]12C	252516579	ULFKJYBJJZGQQP-VOJYZRFDSA-N	508.608	2.359	30	40	KEEB	biogenic,in-vitro
C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@@H](O[C@@H]6OC[C@@H](O[C@H]7O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12	2037931659	WOOPUJXMROOOPP-YPEPTAIWSA-N	897.109	2.229	30	40	KEEB	
COC(=O)C[C@H]1SC(=O)N/C1=N/N=C1\NC(=O)[C@H](CC(=O)Nc2ccc(Br)cc2)S1	9428436	NSZWILXHNFACMM-MNOVXSKESA-N	514.383	2.067	30	40	KEEB	
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N/N=C/c1ccc(OCC#N)c(OC)c1	408954366	PLDUOXYMAUKOKG-ANHJNJTBSA-N	553.572	2.118	30	40	KEEB	
CC1=C[C@H]2O[C@@H]3C[C@H]4OC(=O)/C=C\C=C\[C@]5([C@H](C)O)OCC/C(=C\C(=O)OC[C@@]2(CC1)[C@]4(C)[C@]31CO1)[C@H]5O	101112873	MUACSCLQRGEGOE-XLHZGEAXSA-N	528.598	2.068	30	40	KEEB	
COC(=O)[C@@H]1C(=O)/C(=C/NCCCCCCN/C=C2\C(=O)CC(C)(C)[C@@H](C(=O)OC)C2=O)C(=O)CC1(C)C	100741153	RLQGKUISCABMBZ-GKQVGWSZSA-N	532.634	2.208	30	40	KEEB	biogenic
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)N[C@@H](C(=O)O)[C@@H](O)c1cccc([N+](=O)[O-])c1	150405524	BQOROZCHRZDSIN-RLQZKUMVSA-N	668.696	2.100	30	40	KEEB	
CCN1C[C@]2(OC(=O)c3ccccc3NOC(C)=O)CC[C@H](OC)[C@]34[C@H]1[C@H](C[C@@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@H]4[C@]1(O)[C@@H]2OC	1559556394	ILNXJLNWARWHMD-FXMODCFWSA-N	600.709	2.153	30	40	KEEB	
CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@]12C(=O)N(CC)c1ccccc12	97939527	IYLMEWFVRFHBAY-MUUNZHRXSA-N	554.669	2.378	30	40	KEEB	
CCOc1cc(C=NN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc(Br)c1OCC(=O)N1CCOCC1	409406841	RIMGWBFCYQMAKS-SNHGZMDHSA-N	532.391	2.226	30	40	KEEB	
CO[C@H]1[C@H](O)CC(=O)O[C@H](C)C/C=C/C=C/[C@@H](O)[C@H](C)C[C@H](CC=O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O[C@@H]2C[C@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O2)[C@H](N(C)C)[C@H]1O	618072172	IEMDOFXTVAPVLX-WRLGBGEESA-N	785.969	2.443	30	40	KEEB	
CO/N=C(\C(=O)N[C@@H]1C(=O)N2[C@H](C(=O)OCOC(=O)C(C)(C)C)C(/C=C\c3scnc3C)=CS[C@H]12)c1csc(N)n1	1570003508	YVQSNEJXCGJZHO-PNOODBQMSA-N	620.735	2.297	30	40	KEEB	
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)sc2cc(S(N)(=O)=O)ccc21	100875701	VBNYAPKXNBYYNX-IEQXMEILSA-N	532.669	2.145	30	40	KEEB