smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CO[C@]1(O)[C@H]2O[C@H]2C2(Oc3cccc4cccc(c34)O2)[C@@]23O[C@@]12C(=O)C=CC3=O	136548457	MYXNJIZFJSNFMA-MFKWGIFDSA-N	394.335	0.639	30	1	GCEF	
CC(=C(O)CO)[C@@H]1OC(=O)C=C2[C@]13O[C@@H]3[C@@H]1OC(=O)[C@H]3C[C@H]4O[C@H]4[C@]2(C)[C@H]31	2356493782	GTLXGEXLDIMHND-IZSBNLRVSA-N	376.361	0.149	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@H]21	2356510197	PWJPDPKHMIOIIC-GKSWBSDJSA-N	376.405	0.659	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O[C@@H]1C[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356533862	BHXJSTODGQOUCK-YRROSTHGSA-N	386.485	0.312	30	1	GCEF	
CCC(=O)N1CCC(c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)CC1	95557426	FUXADAMOXLPXMT-UHFFFAOYSA-N	394.497	0.928	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O2	95711017	RUTNGRJJPMAMRO-RVKKMQEKSA-N	375.469	0.861	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	253693211	YOJOUEVWVFOYQS-LPACOWDJSA-N	380.393	0.544	30	1	GCEF	
CCN[C@@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)/N=C(\O)CNC)cc21	27199192	LDZKSFIAAKAVTR-WCBMZHEXSA-N	395.528	0.829	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@]21O	38196291	ADBOAFOIAMBXJT-CZNBXQLSSA-N	376.405	0.803	30	1	GCEF	
OC[C@H]1O[C@@H](OCc2ccc(C#Cc3ccccc3)s2)[C@H](O)[C@@H](O)[C@@H]1O	238754911	LEVGAHRJCGJQQE-UJWQCDCRSA-N	376.430	0.464	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)C(=C)[C@@H]1[C@@H](O)C=C(C)[C@@]21O	2356510144	ONMIIVSKCOOGNN-UJCHLWPXSA-N	376.405	0.561	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]3C(C)=CC[C@@H](O)[C@@]3(C)[C@@H](O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12	2356744213	LPBXWOZPMYGXRR-YASHTPCASA-N	378.421	0.881	30	1	GCEF	
Cn1cnc2cc(-c3ccc(/C(N)=N\O)cc3)nc(N3CC[C@H](CO)C3)c2c1=O	115626398	ZBKNJNNKYVAHIU-LBPRGKRZSA-N	394.435	0.909	30	1	GCEF	
C=C[C@@]12COC(=O)C(=C)[C@H]1[C@@H](O)[C@H](C(=C)C(C)=O)[C@@H](OC(=O)C(=C)CO)C2	95486037	XIAJIWWHTWNYLB-YPLULLRNSA-N	376.405	0.874	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@](C)(O)[C@H](C)O)C[C@@]1(C)[C@@H]2[C@@H](C)CC[C@H]1O	2356787842	VUBMWJMJRVICBE-XTONJHPBSA-N	382.453	0.945	30	1	GCEF	
CC(=CC(=O)O[C@@H]1C[C@@H](C)C2=CC(=O)[C@@](C)(C=C3OC(=O)C(CO)=C31)O2)CO	2356632052	DBMGPEMMKIFUBP-QRVQBPJGSA-N	390.388	0.848	30	1	GCEF	
CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](CO)[C@@H]12	2356407151	RBVQQTSGUPXDEI-QUUYKGJGSA-N	398.408	0.301	30	1	GCEF	
CCOC(=O)[C@@]1(C#N)[C@@]2(C#N)C(ON=C(C)C)(ON=C(C)C)N=C(N)[C@@]21C#N	102950043	LEVOJUHEUBDOIW-OAGGEKHMSA-N	385.384	0.942	30	1	GCEF	
C=C1C[C@]23C[C@H]4[C@@H]5[C@@]6(C)C[C@H](OC(C)=O)[C@@H](O)[C@]57[C@@H]([C@H]2C[C@H]1C[C@]37O)N4[C@@H]6O	137536270	FGERYDCMGOEROV-VHCHGCFVSA-N	387.476	0.797	30	1	GCEF	
C=C(C)C(=O)O[C@H]1C[C@@]23CO[C@@H](C[C@](C)(C=C4OC(=O)C(COC)=C41)O2)[C@@H]3O	1857558903	CIFIMXHIVYAXDE-OLOWNEEMSA-N	392.404	0.939	30	1	GCEF	
N#Cc1ccccc1N1CCN(CCCN2CC(=O)N3CCC[C@@H]3C2=O)CC1	13861478	JJNRPUOOWBAIQT-LJQANCHMSA-N	381.480	0.904	30	1	GCEF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)N2CC[C@@H](C#N)C2)C1	261176403	UYSGAWMQMRAGJH-RWMBFGLXSA-N	375.458	0.605	30	1	GCEF	
CCCN=C1C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@H]3[C@@]1(OC)[C@@H]2COC(=N)O	1857622167	ZXNXZTQDXAZLPO-USQQIMSVSA-N	376.413	0.644	30	1	GCEF	
O=C1NC(=O)C(=CC2=CN[C@H]3C(=NC4CC4)N=C(C#Cc4ccccc4)C=[N+]23)N1	1857628645	USJHRFIQHWAQLS-LJQANCHMSA-O	385.407	0.631	30	1	GCEF	
CNC(=O)c1nc(N2CCC[C@@H](N)C2)n(Cc2ccccc2C#N)c1C(=O)NC	14953955	LHRRHKGNJMJPKU-OAHLLOKOSA-N	395.467	0.450	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	195466152	NFHWFFQENCGSQZ-YYNGZMPGSA-N	376.405	0.801	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)[C@@]1(C)O[C@H]1C)[C@@H](O)[C@]1(C)[C@@H]2C(C)=CC[C@H]1O	238748893	LPBXWOZPMYGXRR-PIDYIHKRSA-N	378.421	0.881	30	1	GCEF	
C[C@@H]1C[C@]2(C)O[C@H]2C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O	2356317904	ZRIQEDVCFTZLLQ-ZQVYDFGMSA-N	381.425	0.221	30	1	GCEF	
N#Cc1ccccc1CSc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	40892624	VFMKMSJDISPINW-SCFUHWHPSA-N	399.432	0.602	30	1	GCEF	
CN1C(=O)N(CCN2CCOCC2)C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@@H]1N	100931674	NOYOXJRPFGSERH-HNGSOEQISA-N	386.452	0.396	30	1	GCEF	
CNC(=O)c1ccc(N2C[C@H]3[C@H](NCC(=O)N4C[C@@H](F)C[C@H]4C#N)[C@H]3C2)cc1	101180566	BGLCIHCEHAKYPZ-VNDHCKRVSA-N	385.443	0.533	30	1	GCEF	
N#Cc1nc(C(=O)NCC(=O)O)c(O)c2c(=O)n(Cc3ccccc3)ccc12	169710943	YTDXRQDEIHFFLU-UHFFFAOYSA-N	378.344	0.836	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@H]12)O3	2356602778	LNRVVOBVXXPDNC-LOQSJSJLSA-N	394.420	0.752	30	1	GCEF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](N)C[C@H]1C(=O)NO	28714510	PKROLNREIMHURQ-KKUMJFAQSA-N	392.456	0.556	30	1	GCEF	
Cn1c(=O)c2c3c(cnc2n(C)c1=O)C(=O)C(Nc1ccc(O)cc1)=CC3=O	45255219	HRGCZRAPTOYXMD-UHFFFAOYSA-N	378.344	0.713	30	1	GCEF	
CCCCNC(=O)[C@H](NC(=O)/C(=N\OC)c1csc(N)n1)C(OC)OC	87528441	MVDVILFCLHGAFU-ASKIBSTCSA-N	387.462	0.096	30	1	GCEF	in-vitro
CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1	95866199	IARDCQPZJHUTTL-NSHGMRRFSA-N	388.489	0.769	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1	95874156	ZDFVZRKTEWGSHZ-QZNHQXDQSA-N	399.535	0.997	30	1	GCEF	
NS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(/C=C/C(=O)NO)cc2)cc1	100853239	JLTDXXRPDVFXJE-XCVCLJGOSA-N	397.434	0.653	30	1	GCEF	
C=C1C[C@@H](OC(=O)/C(C)=C/CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1[C@H](O)[C@H]1O[C@@]21C	238782878	PWJPDPKHMIOIIC-MPTNHOQGSA-N	376.405	0.659	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@@]2(C)[C@@H]3[C@]4(O)OC[C@]35[C@H](C[C@H]12)OC(=O)C[C@@H]5[C@H](C)[C@@H]4O	257567070	VLYMLZRDCSQUQF-XMUJEEOBSA-N	378.421	0.166	30	1	GCEF	
CC1=CC(=O)C[C@@]2(C)CC[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@H]12	2356456026	OZZNTAYWTGDTHK-RWENZAPVSA-N	398.496	0.923	30	1	GCEF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)C	95712339	ZAUQWYYYMXHWKM-GPMSIDNRSA-N	388.512	0.776	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12COC(=O)[C@@](C)([C@@H](O)[C@H](O)C1)[C@@H]2[C@H]3C(=O)O	100778417	RERZXVXKJOZXIL-BZCXWZQVSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)N2CC[C@H](C#N)C2)C1	261176406	UYSGAWMQMRAGJH-UPJWGTAASA-N	375.458	0.605	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(C)=CCCC=C(CO)[C@@H]2OC(=O)C(=C)[C@@H]12)[C@H](O)CO	2356287520	LBCBLDXREDUCHQ-BDXSIMOUSA-N	378.421	0.954	30	1	GCEF	
O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@@](O3)(O2)[C@H](O)C[C@@H]5O)[C@H]2O[C@H]12	2356568935	QKLVXISZLKJRFY-KGJARKHOSA-N	382.324	0.961	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C=C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(=CC)CO)[C@@H]12	2356640118	PJPPGFOTUNLSNL-GFAJBQDWSA-N	376.405	0.971	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C)C[C@@H]2C(=O)NO)cc1	28339447	MCYLJYADJGYSSU-MRXNPFEDSA-N	381.454	0.289	30	1	GCEF	
C=C1[C@]2(C)CC[C@@]3(O)[C@@H](C)C[C@]2(C[C@@H](O)[C@]2(O)C(C)(C)[C@@H](O)[C@@H](O)[C@@]12C)[C@H]3O	40392762	LHLWKUMQYBFARS-XQCGIQRLSA-N	396.524	0.725	30	1	GCEF	
COC(=N)[C@]12C(N)=NC(OC)(OC)[C@@]1(C#N)[C@@]21C(=O)N(c2ccccc2)N=C1C	299816412	YEPKROLUGXJIOG-RCCFBDPRSA-N	396.407	0.847	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C(=O)O[C@H](C)[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]12	2356778984	ISIOGBQKYACMTR-CNYSDADOSA-N	394.420	0.966	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](O)C/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	238777894	ZOPQKMWHSMFPHD-NIFIPLAZSA-N	378.421	0.954	30	1	GCEF	
N=C(N)NCCCCNC(=O)C1=NO[C@@]2(C=CC(=O)C(Br)=C2)C1	2356797731	OJJBFZYTZACRNA-CQSZACIVSA-N	384.234	0.299	30	1	GCEF	
C=C(C)Cn1c(O)c(O[S@@](=O)O)s/c1=N\N=c1/scc(O)n1C	169693543	WXOZKXJCPMZCFA-MIMPSMLTSA-N	378.457	0.869	30	1	GCEF	
CC(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=C1C[C@@]2(C)C(=CC1=O)CCC[C@H]2C	2356493687	BMEBQSNRADUDKN-BFMSJDTKSA-N	396.480	0.845	30	1	GCEF	
O=C(CSCCOCCS)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1	96922008	KWRNJIKBZOIYEV-UKRRQHHQSA-N	390.483	0.785	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2/C=C(/C)C(=O)OC(C)(C)[C@](C)(O)[C@H]1O	523041687	ODESZJAFYLEJHT-JSKUMXAASA-N	394.420	0.966	30	1	GCEF	biogenic
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356690910	PWSUYVPATIVWCL-JYWWSUNKSA-N	398.452	0.156	30	1	GCEF	
CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@H](N)C(=O)O)[C@@H](C)S)C(=O)O	33836587	SEWFXDOLNMAGTP-LLHIFLOGSA-N	378.447	0.024	30	1	GCEF	in-vitro
CCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(N)=O	103942077	ZXNXZTQDXAZLPO-HGXJEOKRSA-N	376.413	0.230	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	139844059	RUQQPVXMOKJQCG-ALUXTKHLSA-N	387.432	0.877	30	1	GCEF	
CCc1[nH]c(=N)nc2c1ccn2-c1ccnc(C#C[C@]2(O)CCN(C)C2=O)c1	1857567249	GWRZKZYYTLFWLA-FQEVSTJZSA-N	376.420	0.735	30	1	GCEF	
COC1(OC)C[C@@H](C)[C@@]23O[C@@]24C2=CC(=O)C=CC2=N[C@H]3C#CC=CC#C[C@@]14O	1857627043	OAGMOQFBOHDCHJ-MHMMHEKKSA-N	377.396	0.719	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@]1(C)[C@@H]2[C@H]2OC(=O)[C@@]1(O)[C@@H]1O[C@@H]21	2356744544	PYRTUYSUPAFERK-NYPFDFLBSA-N	390.388	0.715	30	1	GCEF	
CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]2C	257381544	AVZCSGMWWXMJEA-XFZOSVBCSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
N#CCC[C@@]1(c2nc(N)nc(N)n2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963229853	QIOCVQMQHWZTQS-AUUYWEPGSA-N	390.407	0.730	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1	95795587	GZUVWCYBIDXRNG-KCZVDYSFSA-N	375.428	0.999	30	1	GCEF	
O=C(CCCNC(=O)Cn1cnc2c(NCc3ccccc3)ncnc21)NO	221247731	AXADADYUAITTNZ-UHFFFAOYSA-N	383.412	0.840	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(CO)C[C@H](OC(=O)C(=CC)CO)[C@H]12	2356461838	WBZULALSEKFYIU-DYWWHBPLSA-N	376.405	0.971	30	1	GCEF	
C=C1CC(=O)C=C(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@H]2C[C@H]([C@]3(C)CO3)[C@H](O)[C@@]1(O)O2	2356655574	HSSPWYAJKLQQPG-GFDMLCOKSA-N	392.404	0.158	30	1	GCEF	
O=C(NO)c1cnc(N2CCN([C@H](/C=C/c3ccccc3F)CO)CC2)nc1	45347425	JGCUARZTOABTQC-SQRWCISFSA-N	387.415	0.931	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@@H]([C@@H](OC(C)=O)C[C@H]1O)[C@H](C)[C@H]2O	238740541	FQCOUKWLWDFEQU-DWVBCWGVSA-N	382.409	0.345	30	1	GCEF	
NC(N)=N/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](N=C(N)N)O2	143674709	MCLIKJGPKULDHY-DOOVEFGSSA-N	384.396	0.454	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@@H]2O[C@H]2[C@@H]2O[C@@H]21)C(=O)OC	169363970	DJQAYXQSWDXHIP-VGFCNYNBSA-N	393.436	0.576	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@H]3[C@]45CO[C@H]6O[C@@H](O)[C@@](C)(CC[C@H]4OC(=O)[C@@]3(C2)[C@@H]1O)[C@@H]65	2356783319	LFLODSREXVMKOC-ROGXAXMBSA-N	378.421	0.324	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NCc3ccc(OC)cc3)CN21	2356840377	MQHKMFDRMWWRAC-LMMKCTJWSA-N	384.480	0.256	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	169355368	NFHWFFQENCGSQZ-SRRURDEGSA-N	376.405	0.801	30	1	GCEF	
C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	26975877	SBTGISCCOLPWIT-MRBDDSLFSA-N	396.455	0.700	30	1	GCEF	
C[C@@H](N)[C@H](N)/C(O)=N/S(=O)(=O)/C=C/c1cccc(-c2cc(N)ncn2)c1	95595254	MKMPSSKQFJXBCJ-ISPAPPPSSA-N	376.442	0.657	30	1	GCEF	
C[C@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@]24O	257387024	BKRBOORGXGTRIL-BIRQFKAGSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2C=C(CO)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(=CC)CO)[C@@H]12	2356640121	PJPPGFOTUNLSNL-ZPFYTHJMSA-N	376.405	0.971	30	1	GCEF	
O=C(NO)[C@@H]1C[S@](=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1	73313681	FYFJMQCWKQDEQR-IZHWHUGBSA-N	380.447	0.938	30	1	GCEF	
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@]2(O)CC[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2	5601319	PTWUICAPVLZYIG-ALWJTZSNSA-N	380.393	0.616	30	1	GCEF	
CC(=O)O[C@@H]1CC[C@H](C)O[C@]12OCC1=C(C[C@H](O)[C@](C)(O)C1=O)[C@H]2OC(C)=O	2356719013	MPVZXVXIZMIJFZ-GUGBTQAISA-N	398.408	0.157	30	1	GCEF	
CCCCOc1ccc(S(=O)(=O)N2C[C@@H](NOC)C[C@@H]2C(=O)NO)cc1	13803456	NIUQIJFMBOIHLA-SWLSCSKDSA-N	387.458	0.654	30	1	GCEF	
C=C(C)C(=O)O[C@H]1/C(C(=O)OC)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O	525915122	TZJBTNVBTFCJGF-JIBHXXOOSA-N	392.404	0.984	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)[C@@H]3O[C@@H]3[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@H]12	2356586946	SUBGEMJEVFBRLC-OKBPXRLSSA-N	392.404	0.372	30	1	GCEF	
CC(=CC(=O)O[C@H]1C[C@@H](C)C2=CC(=O)[C@@](C)(C=C3OC(=O)C(CO)=C31)O2)CO	2356632053	DBMGPEMMKIFUBP-STYXZAMGSA-N	390.388	0.848	30	1	GCEF	
CN1CC[C@@]23C(=O)C[C@H]4[C@H]5[C@H](OC[C@@H]6O[C@]64C1)[C@@H](O)C(=O)N(c1ccccc12)[C@@H]53	2356665144	WBNAZDBBTHUIEK-XOLWFSENSA-N	396.443	0.091	30	1	GCEF	
CCCCCCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@@H]1O	42887844	HRPRHBRIRPTWQT-XFUVECHXSA-N	378.462	0.295	30	1	GCEF	
O=C(Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)NO	221938221	LQGKYBKBDDDZGL-UHFFFAOYSA-N	391.361	0.981	30	1	GCEF	
C=C1C[C@]23C[C@H]1[C@H](O)C[C@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	238770681	LKLDZCIWUDJQCF-OABXJDKXSA-N	394.420	0.967	30	1	GCEF	
C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)CC[C@@H]1O	2356533607	MATHKSWBRWHKPE-XWTMOSNGSA-N	378.421	0.954	30	1	GCEF	
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@@H](OC(C)=O)[C@H]3O	2356559476	DVJQEKCWICUQJN-BZSNNMDCSA-N	378.333	0.279	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@@]1(O)CC=C(C)[C@H]21	2356651892	HEAIOJBLGNUAOY-JZBZHOAESA-N	376.405	0.564	30	1	GCEF	
O=C(O)CCC(=O)N[C@@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O	40764373	ZEDNPDDLVUGZSW-QWHCGFSZSA-N	382.438	0.468	30	1	GCEF	
CCCCn1c(C)nc2c1/C(=N/NC(=N)N)c1ccccc1/C2=N/NC(=N)N	102924276	ZWLFAKQICPWLJS-LZCXMDQRSA-N	380.460	0.776	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@@H]2O[C@@H]2[C@H]2O[C@H]21)C(=O)OC	253666698	DJQAYXQSWDXHIP-ZZDGFNBGSA-N	393.436	0.576	30	1	GCEF	
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@@H]1O	653729274	XFTVZANYPVVBQK-SADCGLOJSA-N	393.831	0.449	30	1	GCEF	
C[C@@H]1C=CC(=O)[C@H]2[C@@]3(C)[C@H](CC[C@]12CO)C(=O)O[C@H]([C@H](CO)CCO)[C@H]3O	2356499501	FSZBMAIGZPEMFA-FVZNXXKSSA-N	382.453	0.050	30	1	GCEF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cc(C#CCO)cs3)N2C(=O)[C@@H]2CCCN12	963218257	QNPDOBLTHKUIHS-GRDNDAEWSA-N	382.445	0.662	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@@H](C(=C)C(C)=O)[C@@H](OC(=O)C(=C)CO)C2	2356615175	XIAJIWWHTWNYLB-WNSDDWSPSA-N	376.405	0.874	30	1	GCEF	
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@H](O)[C@]3(C)C[C@H](OC(=O)C(=CCO)CO)[C@@H]12	2356737392	PGUAGAYXKYJYDR-GUEUDTIMSA-N	378.421	0.788	30	1	GCEF	
C=CCONC(=O)c1nn(S(=O)(=O)NCCCC)c2c1CCc1n[nH]cc1-2	28126910	QOFQDOJWTZMNOR-UHFFFAOYSA-N	394.457	0.702	30	1	GCEF	
Cn1c(=O)c2[nH]c(N/N=C3/SCC(=O)N3Cc3ccccc3)nc2n(C)c1=O	31909209	GUBJPQPIGAMWQI-LTGZKZEYSA-N	399.436	0.419	30	1	GCEF	
O=C(CCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1)NO	103232998	GHCWLYKERZOPPW-KBPBESRZSA-N	376.413	0.454	30	1	GCEF	
O=C(O)CN1CCSC[C@H](NC(=O)[C@@H](CS)Cc2ccccc2)C1=O	26282196	YKMWSYUXLGCQLN-KGLIPLIRSA-N	382.507	0.920	30	1	GCEF	
CC=CC=C[C@]1(C)OC(=O)C(C(=O)C[C@H](C)OC[C@H](O)[C@H](O)CO)=C1OC	2356407730	IVNYHQBSNJVKIG-WGDDSDEBSA-N	384.425	0.413	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@]4(C)CO4)[C@H]12)O3	2356585431	PUZOXMKYIJZDML-BKLVVLCVSA-N	376.361	0.349	30	1	GCEF	
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N	26296420	ZLCZQDBYYWURNK-QVEXMKBASA-N	375.360	0.718	30	1	GCEF	
C#CCN1C(=O)COc2cc(F)c(-n3nnc4c(cnn4CC=C)c3=O)cc21	98084770	XLVPSZSHQJIJET-UHFFFAOYSA-N	380.339	0.661	30	1	GCEF	
NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/O[C@H]1CCCCO1	1857542595	TVSBFABKPKRLPK-FHHIAAGZSA-N	385.442	0.239	30	1	GCEF	
C[C@H]1[C@H]2O[C@]2([C@H](C)CO)[C@H](O)[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]25O[C@@]153)C(=O)OC4	2356627573	NFGOHYJHDNTTSQ-STBFWRSESA-N	376.405	0.076	30	1	GCEF	
CN1CC[C@@]23C(=O)C[C@H]4[C@H]5[C@H](OC[C@@H]6O[C@]64C1)[C@H](O)C(=O)N(c1ccccc12)[C@@H]53	2356665141	WBNAZDBBTHUIEK-FZGAMEHMSA-N	396.443	0.091	30	1	GCEF	
COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)CN(C)C)CCCCN3[C@H]2CO)cc1	95874161	ZDFVZRKTEWGSHZ-FUPPJEDESA-N	399.535	0.997	30	1	GCEF	
CC(=O)O[C@@H](C)[C@@H](/C=C/[C@@H]1O[C@@H]1[C@@H]1OC(=O)CC[C@@H]1OC(C)=O)OC(C)=O	238748074	BGZBBOABPPQXTB-GMHYHFCSSA-N	384.381	0.831	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@]12CC[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	253638494	RUQQPVXMOKJQCG-NMSVFPIZSA-N	387.432	0.877	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)C(C)=CC)[C@H]12)O3	2356455233	LJFIVFJQZWRSAJ-HMOFWBTOSA-N	394.420	0.513	30	1	GCEF	
C=CCOc1ccc(/C=C(\C)C(=O)N[C@@H]2[C@@H](CO)O[C@@H](OC)[C@@H]2O)cc1O	26749331	LFUJYVVEJBMMSC-JLMQTADMSA-N	379.409	0.570	30	1	GCEF	
N#C[C@@H]1[C@H](c2ccc(-c3cncnc3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1	95898001	BGDYSSQWKBYNJL-SBHAEUEKSA-N	393.447	0.655	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC	95914766	RBQOWGQGMNLZHR-KAZRGWCASA-N	394.464	0.348	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@]1(C)[C@@H]2[C@@](C)(O)CC[C@H]1O	238781507	SVFPCVAHUZWSGH-YFWDXGNQSA-N	380.437	0.865	30	1	GCEF	
C=C(C)[C@@H]1C[C@]2(C)C(=CC(=O)C[C@@H]2C)C=C1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670180	COXRJHSETJGOOL-IOIWGTCHSA-N	394.464	0.824	30	1	GCEF	
COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1ccc2ccccc2c1	27889657	RKFUJKVWFGKLLW-HNNXBMFYSA-N	378.454	0.713	30	1	GCEF	
O=S1(=O)OCCOS(=O)(=O)C1S(=O)(=O)c1cccc2ccccc12	95558378	ZJLONQMJNJIABL-UHFFFAOYSA-N	392.432	0.604	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356563827	NSIQFTFECCWKID-DLWGUIQESA-N	396.436	0.220	30	1	GCEF	
C=C(CO)[C@H](C)O[C@H]1C[C@]23O[C@@]2(O)CC/C(=C/[C@H]2OC(=O)C(=C)[C@@H]12)CO[C@H]3O	95486038	BNOYORRUWZNCJI-ZOHVRANUSA-N	394.420	0.323	30	1	GCEF	biogenic,in-vitro
CN(C)C(=O)[C@@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2	215746029	VJSBIVNVMGEWDN-IBGZPJMESA-N	386.383	0.371	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@](C)(O)CO)[C@@H]12)O3	2356597918	YPLCCQMLBSLPHF-IWYALULSSA-N	380.393	0.411	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27653325	TVZHDVCTOCZDNE-LPACOWDJSA-N	382.409	0.096	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	62234782	FQTLNSKVFLETSS-FIFZAOOTSA-N	394.420	0.967	30	1	GCEF	in-man
N#CCNC(=O)[C@@H](CC(=O)N1CCCC1)CS(=O)(=O)Cc1ccccc1	82064856	FIXWTGUPKBIHJE-INIZCTEOSA-N	377.466	0.870	30	1	GCEF	
CCCN=C1C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@@H]3[C@@]1(OC)[C@@H]2COC(=N)O	1857622166	ZXNXZTQDXAZLPO-NNUNUHMHSA-N	376.413	0.644	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@]3(CO3)[C@@H]21	2356287407	ILBSAWZDZCQMLZ-NAKDTABQSA-N	390.388	0.738	30	1	GCEF	
C=C1C(=O)[C@@]23[C@H](O)[C@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@H](O)[C@@]3(O)O[C@H]2OC	2356483780	XHYABSFBWXRDOI-ZTXAPVNZSA-N	394.464	0.348	30	1	GCEF	
N#Cc1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)[n+]([O-])c2ccccc2[n+]1[O-]	101733942	HEYCDBAJJTYYQM-UHFFFAOYSA-N	387.333	0.687	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@]21O	2356510142	ONMIIVSKCOOGNN-FSQDRKEKSA-N	376.405	0.561	30	1	GCEF	
C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@@H](O)[C@H]12	95618798	SEKYBDYVXDAYPY-DYDHZCJOSA-N	376.449	0.528	30	1	GCEF	world
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)CC[C@@]2(C)[C@@]12CO2	103213836	UBGLGDONZRKCIG-VXDHQFPSSA-N	394.420	0.694	30	1	GCEF	
C=C1[C@H]2[C@@H](OC(=O)C(C)=CC)C[C@@](C)(O)C=CC(=O)C(CO)=C[C@H]2O[C@H]1O	2356338448	XSGLXNFQZZURPT-DSJDWBEOSA-N	378.421	0.953	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@H]1/C=C\C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238786013	ZQNWZSDLRNNPNH-PBLMSWOQSA-N	396.480	0.867	30	1	GCEF	
C#CCN(C)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCCN1CCOCC1	2356298315	QREFMURXCVHHFG-FHWLQOOXSA-N	393.601	0.058	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H]1O[C@@](C)(CCC(=O)[C@]1(C)O)[C@@H]2O	2356613690	UTMNEQUXFHWOKE-MQQMMGPCSA-N	394.420	0.595	30	1	GCEF	
C=CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(NC(CC)CC)ncnc32)[C@H](O)[C@@H]1O	36272691	VLURUACXSRDDGN-HNSFDTNUSA-N	390.444	0.348	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO	36378988	ZTDFZLVUIVPZDU-NMLCVEJISA-N	378.421	0.954	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@](C)(O)[C@]1(O)C=C[C@](C)(O)[C@@H]21	2356376415	SQRSEJMUWJOLCL-OPXKYWMESA-N	378.421	0.785	30	1	GCEF	
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	2356572599	GNFTWPCIRXSCQF-IDPVYNNJSA-N	378.465	0.752	30	1	GCEF	
C#CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCCN1CCOCC1	2356298317	QREFMURXCVHHFG-OTWHNJEPSA-N	393.601	0.058	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1C(=O)[C@@H]3O[C@@]3(C)[C@]12O	2356670962	JPHWVGDWVIVLLR-ZNSOMJGGSA-N	390.388	0.125	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2cc(C(F)(F)F)nc2C1	40897599	FLCFQXQUTRAWGF-RYUDHWBXSA-N	398.389	0.866	30	1	GCEF	
CNC(=O)c1c(N)n(C[C@@H]2CCCO2)c2nc(C#CC(C)(C)O)ccc2c1=O	96168459	VVPYQNGWCJEVDW-ZDUSSCGKSA-N	384.436	0.640	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](F)CO3)C1=O	219523845	CAAOKIFEWVVKLH-BLVKFPJESA-N	384.367	0.319	30	1	GCEF	
N#Cc1cc2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1=S)CCCCCC2	263608859	UKPICPQZFRGKQT-ZHCJQAHYSA-N	380.466	0.721	30	1	GCEF	
CN(Cc1nc2nc(C#N)c(C#N)nc2[nH]1)S(=O)(=O)c1ccc(C#N)cc1	586928536	BZSVLPTZRREIRK-UHFFFAOYSA-N	378.377	0.789	30	1	GCEF	
C[C@@H]1C[C@H](O)[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@]12C[C@@H](c1ccco1)OC2=O	2356425632	QHSCKUHYGHIDLV-KTJINJNQSA-N	390.388	0.716	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@@]1(C)OC(=CC1=O)C(=C)[C@H]2O	2356466738	QVKWPZOAHZHGFQ-CONGLXRYSA-N	376.361	0.348	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@](C)(O)CO)[C@H]12)O3	2356597917	YPLCCQMLBSLPHF-CKCPGNTPSA-N	380.393	0.411	30	1	GCEF	
C=CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(CC)CC)ncnc32)[C@@H](O)[C@@H]1O	29407578	VLURUACXSRDDGN-FLTUCWPJSA-N	390.444	0.348	30	1	GCEF	
O=C(O)CCC(=O)N[C@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O	40764372	ZEDNPDDLVUGZSW-CHWSQXEVSA-N	382.438	0.468	30	1	GCEF	
Cc1ccnc2c1CCN[C@@H]2c1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1	963070976	ILDNJTDZCODWRR-LJQANCHMSA-N	379.225	0.352	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)C(C)C)[C@@H]12)O3	2356412620	WBUYPTDEWJGFBU-BCMQRBDUSA-N	382.409	0.203	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C)O2	95711019	RUTNGRJJPMAMRO-DAYGRLMNSA-N	375.469	0.861	30	1	GCEF	
C=C(C)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@]1(O)[C@H]3O[C@H]3[C@]3(CC(C(=O)OC)=C(C)O3)[C@]1(C)[C@H]2O	238778591	ABRBMEKBAGFFAI-NODAUCOOSA-N	392.404	0.219	30	1	GCEF	
CC(C)=CC(=O)C[C@]1(C)[C@@H]2C[C@@H]1[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C=C2C	2356530923	MCGRKDOAKFPLLT-YPTLFQBJSA-N	396.480	0.699	30	1	GCEF	
C=C(C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356646103	PTWUICAPVLZYIG-NOENWEJRSA-N	380.393	0.616	30	1	GCEF	
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@H]2C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3C[C@H]21	100759632	ARIAFWGPXNYCQI-TUTBEUHTSA-N	398.415	0.849	30	1	GCEF	
CC(=O)C=C(O)C1=C(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C	2356733058	RNXIYUPSPXDHNB-KBCYEFPQSA-N	386.441	0.339	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)[C@@H]2C[C@H](C(=O)NO)N(C(C)=O)C2)cc1	1857743994	YLKPSGUOQSEIGJ-HZPDHXFCSA-N	380.422	0.357	30	1	GCEF	
CC(C=C[C@@H]1C(C)=CC(=O)CC1(C)C)=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670079	ZQNWZSDLRNNPNH-BOQPXBONSA-N	396.480	0.867	30	1	GCEF	
CC(=O)O[C@@H]1C[C@]23[C@H](O)[C@@]4(CO4)[C@@H]1C[C@H]2[C@@]12[C@@H](O)CC[C@@]4(C)CN[C@H]1[C@@H]3C[C@@H]42	2356711835	BVGZGEVHAANCGX-JPYBWJANSA-N	389.492	0.843	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)C1=C[C@H](O)[C@H]1O[C@@]123	2356726207	IMRLVMUNXUFBQB-OUYWCZNMSA-N	388.372	0.781	30	1	GCEF	
CN(C)CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccccc3)S[C@H]12	2356804268	ABDGCTGPXLJVML-OLMNGRFOSA-N	378.498	0.167	30	1	GCEF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@H](C/N=C/N(C)C)C3)[C@H](C)[C@H]12	26834380	QFNTZGGFKYDAMX-DRCNDUFASA-N	397.497	0.621	30	1	GCEF	
C=C(C)[C@H]1C[C@@H]2O[C@@](O)(C(C)=CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	299815297	NYQXKINSRDCSCG-QYSKAWQBSA-N	376.405	0.946	30	1	GCEF	
Cc1ncc(COP(=O)(O)O)c(/C=N\CCCC[C@H](N)C(=O)O)c1O	685933113	YQSOQJORMNSDJL-VQZCYCSMSA-N	375.318	0.706	30	1	GCEF	in-vivo
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@H](CO)C[C@@H]21	2356791950	JECJZVUUVWHENH-QVQWAWHRSA-N	378.421	0.598	30	1	GCEF	
C/C(=N/Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C(=O)N(C)C(=O)N(C)C1=O	100886455	NGCRCSRKORWSQF-CHHVJCJISA-N	378.301	0.957	30	1	GCEF	
CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1	225180151	PLYKINYNVPDMBD-QGZVFWFLSA-N	383.404	0.981	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	238745977	PQMWCHJGFCQNRD-QATWYSQASA-N	376.405	0.899	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@@]3(CO3)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	523041909	WGGJHOUWYPWWIZ-QNSZOZTISA-N	378.421	0.979	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@]1(O)CC=C(C)[C@H]21	2356651893	HEAIOJBLGNUAOY-QRXRQMIZSA-N	376.405	0.564	30	1	GCEF	
COC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])[C@H]1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C	169692516	WLLXUSAXZPDCPL-UXIGCNINSA-N	394.428	0.782	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)C(=O)C[C@@H](O)[C@@](C)(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	238738248	VNVRUPDBEIOIML-YJXQSFILSA-N	396.436	0.436	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@@]4(C)O[C@@H]4C)[C@@]12O[C@@H]3O	238747814	WFLSXZQWWJXMLO-ASUPEXQMSA-N	394.420	0.752	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C3=CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(=CC)CO)[C@@H]12	2356644189	VZEOYVPTUSFQTE-XEFMTXMXSA-N	390.388	0.497	30	1	GCEF	
NS(=O)(=O)c1ccc(CCNC(=O)/C(Cc2ccc(O)cc2)=N/O)cc1	1857550685	XWXZTJYMCSXZOK-CAPFRKAQSA-N	377.422	0.771	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12)O3	2356541881	PBHKMDBIOFKKFO-ONMLLMJLSA-N	396.436	0.593	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(C)=CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@@H]34)[C@H]1O	2356654105	NYQXKINSRDCSCG-CKSMNCTJSA-N	376.405	0.946	30	1	GCEF	
CC(=O)O[C@@H](C=C[C@@H]1O[C@@H]1[C@@H]1OC(=O)C=C[C@H]1OC(C)=O)[C@@H](C)OC(C)=O	2356504579	WSMOXQBLJXEQNX-PNNADTKDSA-N	382.365	0.607	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)N2CCN(CC)CC[C@@H]2C(=O)NO)cc1	28334660	KJFHTZIVTSKATM-QGZVFWFLSA-N	395.481	0.679	30	1	GCEF	
O=C(NO)[C@@H]1CS(=O)(=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1	73313689	VVEIZVKRPYJCPP-HNNXBMFYSA-N	396.446	0.604	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3	256306360	LJFIVFJQZWRSAJ-NOGANXBLSA-N	394.420	0.513	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	253638495	RUQQPVXMOKJQCG-PBBKPPPOSA-N	387.432	0.877	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@]1(O)O[C@@H](C[C@H]1C)C[C@](C)(O)[C@@H]2OC(=O)/C(C)=C\C	1772606586	RLXDLINHHODXMT-FEDWETFNSA-N	396.436	0.591	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)CC(=C)[C@]1(O)CC=C(C)[C@H]21	13325961	FYELXSMRGZZTNO-OIECKMMNSA-N	376.405	0.564	30	1	GCEF	biogenic
COCC#Cc1ccc([C@@H]2[C@H]3CN(C(=O)C4CCC4)CC(=O)N3[C@H]2CO)cc1	95797745	KCHQXIBFRAJOHB-SVFBPWRDSA-N	382.460	0.982	30	1	GCEF	
COCCNCc1c(C(N)=O)nc2n1CCOc1ccc(C#CC(C)(C)O)cc1-2	215753028	GAMVITGIBOJFKL-UHFFFAOYSA-N	398.463	0.900	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@](C)(O)[C@H]1CC=C(C)[C@H]21	2356390492	DYAHLLPCEAGRPJ-NELCAIQGSA-N	378.421	0.644	30	1	GCEF	
C=C1C=C(C)[C@@H]([C@@H](O)C[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)C1	2356422925	YFGZJFBYIYYGAI-WILQXNCFSA-N	386.485	0.491	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356646105	PTWUICAPVLZYIG-WEZQJLTASA-N	380.393	0.616	30	1	GCEF	
CN(C)c1ccc([C@H]2[C@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1	103131036	ZJQFYFPTWIOGPR-QWRGUYRKSA-N	378.439	0.438	30	1	GCEF	
O=C(CSc1nonc1C(=NO)N[C@H]1Cc2ccc(F)cc21)NCCO	1857566338	VFUXZLUKBSFCGU-NSHDSACASA-N	381.389	0.432	30	1	GCEF	
CC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33836679	UQZKUCCETSAJQQ-AICCOOGYSA-N	381.477	0.035	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@@H]3[C@H](OC(=O)C(C)=CC)C[C@H](O)[C@]3(C)[C@H](O)[C@@H]12	2356454455	MPPUQBHRJQOHGA-NYQJTGESSA-N	380.437	0.721	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)N2CCCN(C)C[C@H]2C(=O)NO)cc1	58538662	MCYLJYADJGYSSU-INIZCTEOSA-N	381.454	0.289	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	101336419	YOJOUEVWVFOYQS-LKPJAFIRSA-N	380.393	0.544	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@]3(C)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)CC(C)=C3C[C@H]12	2356597392	FZNAAAXBFOLDKW-VNPKBGNXSA-N	380.437	0.819	30	1	GCEF	
CN(C)CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3ccccc3)S[C@@H]12	2356804269	ABDGCTGPXLJVML-YXMSTPNBSA-N	378.498	0.167	30	1	GCEF	
CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)[C@@H]1CN	299822726	CCRZGHRYQSQCDZ-YTMAUPNQSA-N	393.350	0.666	30	1	GCEF	
CC(=O)OC[C@]12[C@H](O)CC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	5767537	DXOMWDQITCLYBJ-QUYDQFLLSA-N	382.409	0.096	30	1	GCEF	
CC1(C)[N+]([O-])=c2ccc(COc3ccccc3/C=N\NC(N)=S)cc2=[N+]1[O-]	299831498	JCJICBJCWHWBNV-JMIUGGIZSA-N	385.449	0.160	30	1	GCEF	
CC(=O)O[C@@H](C=C[C@@H]1O[C@@H]1[C@@H]1OC(=O)CC[C@@H]1OC(C)=O)[C@@H](C)OC(C)=O	2356417448	BGZBBOABPPQXTB-FSACTGGGSA-N	384.381	0.831	30	1	GCEF	
CC=C1C[C@]2(COC(C)=O)O[C@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]23	2356438029	PSLAXCVGXXVNFJ-WOUAJJJCSA-N	391.420	0.897	30	1	GCEF	
O=C(N[C@H]1CCO[C@H]2CC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1	13762000	YRIDIYJZPKNEGH-AJNGGQMLSA-N	378.450	0.834	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@H](CO)[C@@]3(O)C[C@@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	85722712	SNUZCOSRHAIVKC-XPTMPFTQSA-N	396.436	0.593	30	1	GCEF	in-man
CCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@@H]3[C@@]1(OC)[C@H]2COC(N)=O	137428485	ZXNXZTQDXAZLPO-XPXSVBDRSA-N	376.413	0.230	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)C(=O)C[C@H](O)[C@@](C)(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	523042258	VNVRUPDBEIOIML-YXIMUYKBSA-N	396.436	0.436	30	1	GCEF	biogenic
C[C@H]1CC[C@]2(O)[C@]3(C)C[C@]4(O)O[C@]2(C(=O)[C@]4(C)C([C@@H](C)CO)=CC3=O)[C@@H]1O	56874703	BKRBOORGXGTRIL-QZIHVOCISA-N	380.437	0.089	30	1	GCEF	in-vitro
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	100778364	LKLDZCIWUDJQCF-JEEFPKFSSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
CCC/N=C1\C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@@H]3[C@@]1(OC)[C@H]2COC(N)=O	195316382	ZXNXZTQDXAZLPO-FKRARJMXSA-N	376.413	0.230	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](F)CO3)C1=O	219441314	CAAOKIFEWVVKLH-BUXKBTBVSA-N	384.367	0.319	30	1	GCEF	
CC(C=C[C@@H]1C(C)=CC(=O)CC1(C)C)=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670081	ZQNWZSDLRNNPNH-NADOGSGZSA-N	396.480	0.867	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)C1=C[C@H](O)[C@@H]1O[C@@]123	2356726205	IMRLVMUNXUFBQB-JSMAPFGHSA-N	388.372	0.781	30	1	GCEF	
CCOC(=O)[C@]1(C#N)[C@]2(C#N)C(N)=NC(ON=C(C)C)(ON=C(C)C)[C@@]21C#N	5924118	LEVOJUHEUBDOIW-XHSDSOJGSA-N	385.384	0.942	30	1	GCEF	
CC(C)(C)[C@H](NC(=O)N1CCOCC1)C(=O)N(CC(=O)NO)CC1CCCC1	58538442	SXUNCVUOMVTCPS-MRXNPFEDSA-N	398.504	0.967	30	1	GCEF	
C=C(O[C@@H]1C=C(CO)C2=CC(=O)[C@@](C)(C[C@H]3OC(=O)C(=C)[C@H]13)O2)C(=O)OC	2356384859	CXAAAQLJZJSLPB-NPNMTCQASA-N	376.361	0.720	30	1	GCEF	
CCCCN/C(O)=N/S(=O)(=O)c1ccc(OCc2no[n+]([O-])c2C#N)cc1	95552249	KGVXFRUMAXEMKI-UHFFFAOYSA-N	395.397	0.751	30	1	GCEF	
C[C@H]1C[C@](C)(O)C(=O)[C@@H]2O[C@@H]2[C@H]2[C@H](O)[C@@]3(C)OC4=C(C(=O)O[C@]42C[C@H]3C)C1=O	1857754322	DEDOORYCHRBMCA-UQVZNAKSSA-N	392.404	0.038	30	1	GCEF	
C=C(C)C(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@@H]2O)OC1=O	2356628562	XTUQPQRJSZRSDZ-VEFTVXKRSA-N	380.393	0.616	30	1	GCEF	
OC[C@@H]1O[C@@H](O/N=C/c2ccc(OCc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	28525530	KYYOETBZDHJWBK-UAQZPCHLSA-N	389.404	0.416	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)[C@H](O)[C@H]1O)O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	100257535	JSKXQQKSUOVSKS-GVJOKPIQSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C[C@H]1C[C@@H](C)C(=O)C2=C3O[C@@H]4[C@H](C)C[C@@]3(OC2=O)[C@H](C2=NO[C@@]1(O)C2)[C@H]4O	138919655	JKMXMRTVIHXWDO-MTONHXPSSA-N	377.393	0.662	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@]12O[C@@H]3O	523041900	WFLSXZQWWJXMLO-YQZGJZDHSA-N	394.420	0.752	30	1	GCEF	biogenic
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@@H](C)[C@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356416971	MGXGYVFGGBQQIP-MEZGWIETSA-N	398.452	0.156	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@H](C)[C@](O)(C(=O)C[C@H](C)O)[C@@H]2OC(=O)[C@@H](C)CC	2356637716	CFNPAWULBAZKEI-UANRVAMHSA-N	398.452	0.514	30	1	GCEF	
O=C1CC(=O)NC(NN2C(=O)/C(=C/C(=O)c3ccco3)N=C2c2ccccc2)=N1	5838670	KKHJFPVAEMFJIT-XFXZXTDPSA-N	391.343	0.542	30	1	GCEF	
COC(=O)[C@H](/C(=N/N)C(=O)Nc1cccc(O)c1)c1nc2ccccc2[nH]c1=O	17216126	SFWIMGNOZCIEAB-SZLGDNHQSA-N	395.375	0.839	30	1	GCEF	
COc1ccc(-c2c(C#N)c3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	73195637	SPUMLEBKCCZPJM-BVNXPQQUSA-N	397.391	0.172	30	1	GCEF	
N#Cc1nc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c2nc1C#N	586942571	XJBGZKQRTJMAIU-UHFFFAOYSA-N	397.376	0.346	30	1	GCEF	
C[C@H]1CO[C@@H]2C(CN3CCN(C)CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32	52996741	QXPZFZNTFIOTEO-LIXBPZJASA-N	377.416	0.407	30	1	GCEF	
CC(=O)OC[C@@]12[C@H](C=C(C)[C@H](O)[C@@H]1O)O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	100257530	JSKXQQKSUOVSKS-PCORYZNPSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=CCc1ccc(OCCCO[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)c(OC)c1	2178319861	DUIXHGJWRCDZLC-QQXKLLMISA-N	384.425	0.009	30	1	GCEF	
COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cc(C)cc(C)c3)S[C@@H]12	2356834522	KBWFGLHPGZIWJU-ALYAQQCSSA-N	393.509	0.869	30	1	GCEF	
C[C@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O	238751150	CZQLULNMKQAIQL-CPUCHKMHSA-N	381.425	0.221	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CC[C@@H]3O[C@]3(COC(C)=O)C[C@H](OC(C)=O)[C@@H]12	2356420432	AMOCTMOKYBTADW-QSUVVDIXSA-N	380.393	0.819	30	1	GCEF	
CN1CC[C@@]23C(=O)C[C@H]4[C@H]5[C@H](OC[C@@H]6O[C@]64C1)[C@@H](O)C(=O)N(c1ccccc12)[C@H]53	2356665143	WBNAZDBBTHUIEK-XHEIBAMTSA-N	396.443	0.091	30	1	GCEF	
O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)s1	28963519	WFYBTESVTKBMEB-UHFFFAOYSA-N	386.430	0.912	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@@H]2[C@H]2O[C@@H]21)C(=O)OC	101132605	DJQAYXQSWDXHIP-NQALZLINSA-N	393.436	0.576	30	1	GCEF	
Nc1nc(C#CCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	26376294	RLHVEMZSFWQLLJ-BMHLXIAXSA-N	387.440	0.342	30	1	GCEF	
CCCC[C@H](CC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33818931	MFGGZOXRUQUDRB-YTFOTSKYSA-N	383.493	0.329	30	1	GCEF	
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	100778365	LKLDZCIWUDJQCF-RTFLVCIGSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H]([C@@H](OC(=O)[C@H](C)CC)C[C@H]1O)[C@H](C)[C@H]2O	238753936	ZJFAILWSPOXDEU-WJHWLKMESA-N	382.453	0.801	30	1	GCEF	
Cn1cc(-c2ncc(C#N)c(N3C[C@@H]4C[C@H]3CN4S(=O)(=O)C3CC3)n2)cn1	1911576009	AQNIGKMKZXSRSH-KBPBESRZSA-N	385.453	0.504	30	1	GCEF	
N#Cc1ccc(SCc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	29058816	MDKNCBRDZJYRMI-GFOCRRMGSA-N	399.432	0.602	30	1	GCEF	
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@H](OC(C)=O)[C@@H]3O	2356559477	DVJQEKCWICUQJN-KURKYZTESA-N	378.333	0.279	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@@H]2O)C(CO)=C[C@@H]2OC(=O)C(=C)[C@H]21	2356678850	VTEAXXDANDDCCN-MZHISCHQSA-N	380.393	0.123	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	238753500	WBUYPTDEWJGFBU-AJAWYIHLSA-N	382.409	0.203	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)CO4)[C@H]12)O3	2356585433	PUZOXMKYIJZDML-KRZFULPNSA-N	376.361	0.349	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12	2356653466	DWAUXXXGNFAKQL-OLPWTBESSA-N	394.420	0.166	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169364501	FAQMCKSIBZGZIB-UDVZFCQKSA-N	380.393	0.304	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12)O3	238756479	RBPBHKBVZNHLLE-XZOIHQSRSA-N	390.388	0.499	30	1	GCEF	
C=C1C2=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@]3(C)CO3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]1O)O2	525915092	QVKWPZOAHZHGFQ-ZZACQWQUSA-N	376.361	0.348	30	1	GCEF	biogenic
N#Cc1nc2nc(CNC(=O)CNC(=O)OCc3ccccc3)[nH]c2nc1C#N	587226997	GZAURBZDVLBCAH-UHFFFAOYSA-N	390.363	0.639	30	1	GCEF	
CC(C)NC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#CCN(C)C)cc1)[C@@H]2CO	95869574	MQRMNHBIWMSUQW-SVFBPWRDSA-N	398.507	0.689	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@H]1C[C@H](O)[C@H]2[C@@]12[C@@H](O)CC[C@](C)(CO[C@H]1OC3=O)[C@@H]2C=O	2356428124	YSDDLDRLPGAKFP-LSEBSIHRSA-N	378.421	0.166	30	1	GCEF	
C=C[C@](C)(O)[C@H](O[C@H]([C@H](O)CC(C)(C)O)[C@@](C)(O)C=C)[C@@H](O)CC(C)(C)O	2356434452	RZOLATFOMQUCOR-CRODYANQSA-N	390.517	0.658	30	1	GCEF	
C[C@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O	100778677	BKRBOORGXGTRIL-CFHFOHNUSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@H](O)[C@@H](O)[C@@H]([C@@H]34)[C@@]2(C)C1=O	238742578	LXOOTOQKADUTAC-WYYCKGRMSA-N	380.437	0.412	30	1	GCEF	
CC(=O)O[C@@H]1C[C@@](C)(OC(C)=O)C(=O)CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(CO)=C21	1857641857	BPDADBRYLMRNAV-VFHCNTGYSA-N	396.392	0.365	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)[C@](O)(CO)[C@H](C)O)[C@H]12	2356472602	CSLDZLRWNOJBIW-OEGABVSNSA-N	396.436	0.148	30	1	GCEF	
Cc1ccncc1C#Cc1c(Cl)nc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O	73222039	VQRSYIHAPQIJKZ-NGFQHRJXSA-N	389.843	0.330	30	1	GCEF	
CC(=O)C=C(O)C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C	2356733056	RNXIYUPSPXDHNB-APFCHRASSA-N	386.441	0.339	30	1	GCEF	
OC[C@H]1O[C@H](OCc2ccc(C#Cc3ccccc3)s2)[C@@H](O)[C@H](O)[C@H]1O	2356416936	LEVGAHRJCGJQQE-LFDJNIOPSA-N	376.430	0.464	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@]13O[C@@H](O)[C@]2(C)CCC=C(C)[C@H](O)[C@@H]3OC(=O)[C@]1(C)O[C@@H]1C	2356581440	WFLSXZQWWJXMLO-IYHBJNFUSA-N	394.420	0.752	30	1	GCEF	
NCCCC[C@@H]1NC(=O)[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O	40584621	UVZYIPGMYNPHAQ-BUXKBTBVSA-N	385.445	0.549	30	1	GCEF	
C[C@H](O)CCC(=O)C1=C2O[C@@]3(C)[C@H](C)C[C@@]2(OC1=O)[C@@H](C=CC(=O)O)[C@H]3O	2356687986	HXUORWAUCSCXSP-OLKGOIODSA-N	380.393	0.713	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]4(CO)CO4)[C@@H]12)O3	2356837338	LJMOAYAQYBADNI-ITMNWECSSA-N	378.377	0.429	30	1	GCEF	
CC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN)C(C)C	26023429	GRTWEYRCFAVSEC-ULQDDVLXSA-N	384.521	0.491	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c(CC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc2c1	587221589	WTCOXHSZGYZSCS-UWVGGRQHSA-N	393.787	0.392	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NCc3ccc(N(C)C)cc3)CN12	2356859614	SWHAHJWSEICHDZ-MISYRCLQSA-N	397.523	0.313	30	1	GCEF	
NC(=O)c1nc(C#Cc2ccc(Br)cc2)n(COCCCO)n1	64528399	MFXOXTLYTCMBKG-UHFFFAOYSA-N	379.214	0.896	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2	95711026	RUTNGRJJPMAMRO-VKJFTORMSA-N	375.469	0.861	30	1	GCEF	
CN(C)S(=O)(=O)c1ccc(OCc2nc3nc(C#N)c(C#N)nc3[nH]2)cc1	586931414	CCROZIYQZIHUQR-UHFFFAOYSA-N	383.393	0.926	30	1	GCEF	
C[C@]1(CO)CCC[C@]2(C)[C@@H]3C[C@]45O[C@@H]4[C@H](O)[C@]4(CO)O[C@@H]4[C@@]5(O)CC3=CC[C@H]12	2356718257	OYLVOLOSQHRPLK-RVKJJMNFSA-N	392.492	0.905	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	254071311	SXQQMCLQCSKJNC-VUSYKTSUSA-N	396.455	0.845	30	3	GCEF	
C=C1C[C@H](O)[C@@H]2[C@H](CN[C@H](C(=O)O)C(C)C)C(=O)O[C@@H]2[C@@H]2C(=C)[C@@H](O)C[C@H]12	2356682112	NNBPMFMHJCFBIS-NPGFSVHMSA-N	379.453	0.717	30	1	GCEF	
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)[C@H](C)CC	32303429	RZHVVXDUYUESJI-ZCPGHIKRSA-N	392.452	0.912	30	1	GCEF	
C[C@@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@H](C)CC[C@]24O	104366459	BKRBOORGXGTRIL-RFIURWQXSA-N	380.437	0.089	30	1	GCEF	in-man
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)[C@H](C)[C@H]21)CO[C@H]3O	2356511673	GVDXNUSJGXJQEQ-PTJXBLBSSA-N	380.393	0.221	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1C(=O)[C@@H]3O[C@]3(C)[C@@]12O	2356670961	JPHWVGDWVIVLLR-PVPMTKAKSA-N	390.388	0.125	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC(=NO)[C@H]2[C@H](O)[C@H]3OC4=C(C(=O)O[C@@]42C[C@H]3C)C1=O	2356715184	FHTFDKWORXYZHH-VPJWRODTSA-N	377.393	0.986	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@H](C=O)[C@@H]1CC[C@](C)(O)[C@H]12	2356595074	RVBQVNIEBNWSIX-FFWIETMUSA-N	378.421	0.929	30	1	GCEF	
CS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O	14681572	KPZACOXJRSCTBD-XNTDXEJSSA-N	379.232	0.688	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@H](C)CC)[C@@H]12)O3	2356541885	PBHKMDBIOFKKFO-WHGXHRIVSA-N	396.436	0.593	30	1	GCEF	
C#CCNCC1=Cc2cc(S(N)(=O)=O)sc2S(=O)(=O)N1CCC	14947994	FWBQCYOXOUEEOM-UHFFFAOYSA-N	375.497	0.374	30	1	GCEF	
CC(=CC(=O)O[C@@H]1C[C@H](C)C2=CC(=O)[C@@](C)(C=C3OC(=O)C(CO)=C31)O2)CO	2356632051	DBMGPEMMKIFUBP-GZNWPSJOSA-N	390.388	0.848	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12	2356671998	RYQBYPMZWJPXAD-KSZLIROESA-N	378.421	0.956	30	1	GCEF	
C/C(O)=N/S(=O)(=O)OC[C@@]12OC[C@H]3OC(C)(C)O[C@H]3[C@@H]1OC(C)(C)O2	28763981	MDJJOWWSBYIACW-PUHVVEEASA-N	381.403	0.622	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12	299844458	TZMBEJAHWVHDNJ-VIVACWPRSA-N	392.404	0.182	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@](O)(CO)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@@]12C	2356487454	BNJMIJOSRMZLDO-GXZAIAQCSA-N	380.437	0.963	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c(C[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)nc2c1	587218419	JDGLGQNZVQKORO-VHSXEESVSA-N	393.787	0.392	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@@H](C(=C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C2	2356455483	VFWBKWFDMSNXAX-IDJSLIICSA-N	378.377	0.370	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)[C@@H]3O[C@@H]3[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@H]12	2356586943	SUBGEMJEVFBRLC-IDSCPVLJSA-N	392.404	0.372	30	1	GCEF	
CC(=O)C=C(O)C1=C(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C	2356733057	RNXIYUPSPXDHNB-HLXGQDKASA-N	386.441	0.339	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1CC[C@](C)(O)[C@H](O)[C@H]1OC(=O)[C@H](C)[C@H]1CC[C@](C)(O)[C@@H]2O	202197636	GHZVTIKGATYJRL-WZRMTEHQSA-N	398.452	0.060	30	1	GCEF	
O=C(Nc1ccc2c(c1)CCN2)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207074324	YDFKPYASAXCUNQ-AAEUAGOBSA-N	382.398	0.596	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(C)=CCCC=C(CO)[C@@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO	2356287523	LBCBLDXREDUCHQ-TVFCKZIOSA-N	378.421	0.954	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)[C@H](O)[C@@H]1O)O[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	257457887	JSKXQQKSUOVSKS-ZTALVMEUSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@H]2[C@H](O)[C@](C)(O)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H](O)[C@@](C)(O)CC[C@H]12	2356399754	GHZVTIKGATYJRL-UKACIOJZSA-N	398.452	0.060	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356472806	JSVOGERDQXWCMQ-USNLCZKJSA-N	392.404	0.720	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(CO)[C@@H]1CC[C@]2(O)C(=O)CO	2356405105	HESFZGWRDUVOMS-FUQFRRBTSA-N	378.465	0.754	30	1	GCEF	
C[C@@H]1C=CC(=O)[C@@H]2[C@]1(CO)CC[C@@H]1C(=O)O[C@H]([C@H](CO)CCO)[C@H](O)[C@]12C	2356499496	FSZBMAIGZPEMFA-AEARCQLTSA-N	382.453	0.050	30	1	GCEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1	17215702	RPGHQCNKOXWXAX-RRFJBIMHSA-N	396.321	0.596	30	1	GCEF	
C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	29134113	KCJQFSPRHCELGR-COURSEHYSA-N	380.437	0.865	30	1	GCEF	
CNCc1ccc(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)cc1	207069220	FBNCKYMJQXAADY-STQMWFEESA-N	384.414	0.348	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@@H]2O[C@@H]2[C@H]2O[C@@H]21)C(=O)OC	253666677	DJQAYXQSWDXHIP-DUGUWMDASA-N	393.436	0.576	30	1	GCEF	
O=C(O)CCCNC(=O)C[C@H]1SC(NN/C=C2\C=CC=CC2=O)=NC1=O	13120473	AFYOGQVOYAGUMK-BZYZDCJZSA-N	378.410	0.029	30	3	GCEF	
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)C2CC2)C(=O)NO)cc1	26185390	AZYCDOIZPFMWEC-CQSZACIVSA-N	385.442	0.154	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C3=CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(=CC)CO)[C@@H]12	2356644188	VZEOYVPTUSFQTE-WPJIGYFFSA-N	390.388	0.497	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@@H](C=O)CC[C@H]2O)[C@@H](O)[C@@H]1C(=C)C(=O)OC	238767089	AXTHWXPLSBCNCK-SUJYWCHLSA-N	396.436	0.149	30	1	GCEF	
C#CCNC(=O)C1=C(C)CS[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N12	1857540857	YTBVFCYCFKIACX-DNVCBOLYSA-N	385.445	0.489	30	1	GCEF	
C=C[C@]1(C)[C@H](OC(=O)C(=C)[C@H](O)CO)C[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)CO	2356360197	ZXYASCOGVKCEDD-TXJWRWGXSA-N	378.421	0.666	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]1(O)C=C[C@H](C)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356526535	BDYSVDKPQDAEPO-KYBBWYOYSA-N	384.469	0.088	30	1	GCEF	
CN(C)CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3ccccc3)S[C@@H]12	2356804267	ABDGCTGPXLJVML-LEOABGAYSA-N	378.498	0.167	30	1	GCEF	
CCS(=O)(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CC4CC4)cc3)[C@H]2C1	95866198	IARDCQPZJHUTTL-GGPKGHCWSA-N	388.489	0.769	30	1	GCEF	
CC(C)[C@H](NC(=O)c1csc(-c2cscn2)n1)C(=O)NCC(=O)NO	147351437	BMPSPOVMEGTENM-NSHDSACASA-N	383.455	0.643	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)CC(=C)[C@@H]1[C@@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	195466156	NFHWFFQENCGSQZ-HJUYAIGTSA-N	376.405	0.801	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@](C)(O)[C@H](C)O)C[C@]1(C)[C@H](O)CC[C@H](C)[C@@H]21	2356787841	VUBMWJMJRVICBE-UHRVQTAOSA-N	382.453	0.945	30	1	GCEF	
C[C@@H]1C=CC(=O)[C@@H]2[C@]1(CO)CC[C@@H]1C(=O)O[C@H]([C@H](CO)CCO)[C@H](O)[C@@]12C	2356499506	FSZBMAIGZPEMFA-SKTHESHOSA-N	382.453	0.050	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CO)C[C@@]1(C)[C@@H]2[C@H](C(=O)O)CC[C@H]1O	2356674477	JPYFFTKCSKPWHH-XATQKNIFSA-N	382.409	0.506	30	1	GCEF	
C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	29134116	KCJQFSPRHCELGR-HCGLQCSDSA-N	380.437	0.865	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(C)[C@@H](O)CC=C(C)[C@H]21	2356573945	GWJXGILYDSNHLU-KOVNWGBHSA-N	378.421	0.644	30	1	GCEF	
O=C(O/N=c1/ccc(=O)/c(=N\OC(=O)c2ccccc2)c1=O)c1ccccc1	5922261	CWJQZXAZDYVZSW-CTZCZRIESA-N	376.324	0.628	30	1	GCEF	
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO	6499784	KUOSLPBZDWVFER-FPEUBTHASA-N	378.421	0.666	30	1	GCEF	biogenic
Cc1cc(=O)n2c3ccccc3n(C[C@H](O)N3CCN(CCO)CC3)c2c1C#N	66156640	MMKIDRUDRAIDAL-FQEVSTJZSA-N	395.463	0.363	30	1	GCEF	
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@H]1N	473172828	YUOSEXRAEHSGHZ-QOWQRGQHSA-N	393.350	0.666	30	1	GCEF	
C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	523041912	WLFVPPSXKYSJGO-WJVSDBCXSA-N	378.421	0.644	30	1	GCEF	biogenic
CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	36272990	PDSBHJZSHBBMEC-BMHLXIAXSA-N	389.456	0.732	30	1	GCEF	
N#Cc1nc(Cl)cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12	587221524	VXFJZQBAIDHLFD-BQBZGAKWSA-N	394.775	0.307	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H](CO)[C@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)O3	100776748	SNUZCOSRHAIVKC-PIOSWDLLSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(O)cc2)n(C)c1=O	103251226	WXFOODWTBXEZGF-UHFFFAOYSA-N	379.420	0.688	30	1	GCEF	
CC(=O)O[C@H]1C2=C(C=C3C(=O)c4c(O)cccc4C(O)=C32)C(=O)[C@@](C)(O)[C@@H]1O	238738580	ORBJGHYACRGKCY-DFQSSKMNSA-N	384.340	0.721	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@]12COC(=O)[C@@](C)([C@H]1[C@H]3C(=O)O)[C@@H](O)[C@H](O)C2	100778420	RERZXVXKJOZXIL-WVMKEFHFSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
N#Cc1ccc(-c2cn3c(=O)c4ncn([C@H]5CO[C@@H](CO)O5)c4nc3[nH]2)cc1	101877861	BEQKGFOILOKOJY-ZIAGYGMSSA-N	378.348	0.775	30	1	GCEF	
CCCn1c(N)c(/C(O)=N/S(=O)(=O)c2ccc(C)cc2)c(=O)n(C)c1=O	2638182	FLRLYYQSYXNMIB-UHFFFAOYSA-N	380.426	0.541	30	3	GCEF	
CC#CCOc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C(=O)NO)N(C(C)=O)C2)cc1	1857743898	YLKPSGUOQSEIGJ-CVEARBPZSA-N	380.422	0.357	30	1	GCEF	
C=C(CO)[C@]12O[C@@]13[C@@H](OC(=O)[C@H](O)C(C)C)C(C)(C)C[C@@H]3[C@H](C)[C@H](O)C2=O	2356435164	TYSMGDPIYYHWHH-ZHHWQHEHSA-N	382.453	0.597	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OCC(C)=CC)[C@H]12)O3	2356466059	QNXWVHCKGBQQSD-WGEZERDCSA-N	380.437	0.987	30	1	GCEF	
C=C1C[C@H](O)[C@@H]2[C@H](CN[C@H](C(=O)O)C(C)C)C(=O)O[C@@H]2[C@@H]2C(=C)[C@H](O)C[C@H]12	2356682111	NNBPMFMHJCFBIS-KJPHPDOHSA-N	379.453	0.717	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)[C@H](O)[C@@H]1O)O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@]12CO2	257457884	JSKXQQKSUOVSKS-MFXFBURESA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
Cc1cnc2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc2c1	586939566	ACEPPAUTEKBIHN-UHFFFAOYSA-N	384.421	0.733	30	1	GCEF	
C=C1C[C@]23C[C@@]4(O)[C@H]5[C@]6(C)C[C@@H](O)[C@H](OC(C)=O)[C@]57[C@H]2C[C@@H]1C(=O)[C@@H]3[C@H]7N4C6	2356598512	SMKLDHHGRDTUQJ-LMHABTQESA-N	385.460	0.863	30	1	GCEF	
N=C(N)NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1	26939205	VSFNKZHGNMFXQU-YOEHRIQHSA-N	398.467	0.719	30	1	GCEF	
CC1=C(c2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O	27409938	YQNKFJCEZXZDBA-RRFJBIMHSA-N	398.371	0.030	30	1	GCEF	
COc1cccc(OC)c1C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(=O)O)C(C)(C)S1	95921042	SKOKQNRJVBPEBM-ZDBHGNHJSA-N	382.438	0.895	30	1	GCEF	in-vitro
C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	169332307	SXQQMCLQCSKJNC-CKBYQHNESA-N	396.455	0.845	30	1	GCEF	
CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	257557514	UROCTWOJYLMRHO-YTIFWPGCSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
CC1=CC(=O)CC(C)(C)[C@]1(O)C=C[C@H](C)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356526534	BDYSVDKPQDAEPO-KSPGMDPOSA-N	384.469	0.088	30	1	GCEF	
CC[C@H](C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(S(N)(=O)=O)cc1	27312021	PADMSKLBVWORHM-LNSITVRQSA-N	388.559	0.212	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)C(=CC)CO)[C@@H]12)O3	2356377962	RBPBHKBVZNHLLE-RNKNFESXSA-N	390.388	0.499	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12	2356637013	DPWFMICLQOCEEX-IDXLUZRESA-N	392.404	0.816	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@H]1C[C@H](O)[C@H]2[C@]12CO[C@H]4O[C@@H](O)[C@@](C)(CC[C@H]1OC3=O)[C@H]42	2356783321	LFLODSREXVMKOC-UWIQAZQASA-N	378.421	0.324	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@@H]2O[C@@H]2[C@H]2O[C@H]21)C(=O)OC	253666671	DJQAYXQSWDXHIP-BQEVRFGOSA-N	393.436	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@H]12)O3	257543699	SNUZCOSRHAIVKC-SXPFQPFNSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
COc1ccc(S(=O)(=O)N2CCN(C(C)C)C(=O)C[C@@H]2C(=O)NO)cc1	3821513	HTNLSTWGHBHDPS-CQSZACIVSA-N	385.442	0.201	30	1	GCEF	
CCCCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	12405286	DBHBIZXIRLVAKZ-XKLVTHTNSA-N	376.413	0.053	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@H]4[C@](O)(OC[C@@]4(O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12)[C@H]1O[C@@]31C	169639637	IIXSMSPNCAECDY-SJHPMCOMSA-N	394.420	0.299	30	1	GCEF	biogenic
O=C(N[C@@H]1CN([C@@H](C(=O)O)c2ccc(O)cc2)C1=O)C(=NO)c1ccc(O)cc1	2356704925	NMMOYDKOFASOBV-GDBMZVCRSA-N	399.359	0.429	30	1	GCEF	
C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO	66112219	SNVYDNOGPYZQEV-KUHUBIRLSA-N	377.400	0.657	30	1	GCEF	in-vitro
N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCCCOc1ccc(O)cc1	36176102	FSNVNDOONHTMFU-UHFFFAOYSA-N	379.808	0.514	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3[C@@](O)(C=C[C@@]3(C)O)[C@@](C)(O)[C@@H](OC(=O)C(C)=CC)C[C@H]12	2356376420	SQRSEJMUWJOLCL-YOSIWLQUSA-N	378.421	0.785	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(C)=CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@H]1O	2356654107	NYQXKINSRDCSCG-LTMAVZABSA-N	376.405	0.946	30	1	GCEF	
CC(=O)NC[C@H](F)CCNC(=O)CCC(=O)NCCCCCN(O)C(C)=O	2356802919	WNTZEYCYIWINNV-OAHLLOKOSA-N	390.456	0.271	30	1	GCEF	
CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)O	13747310	RPXARBHABPCWRJ-VGWMRTNUSA-N	394.493	0.715	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](O)[C@H](C)C3=CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356518008	BOSMSDXDJXIVAW-VXZNXVJCSA-N	392.404	0.576	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2	100824946	FAQMCKSIBZGZIB-BGCLXERISA-N	380.393	0.304	30	1	GCEF	endogenous,in-man
CCC(=O)[C@H]1O[C@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@@H](O)[C@@H]1O	169727105	MBXWXPUSFDNWKE-LJCCNALRSA-N	393.403	0.407	30	1	GCEF	
Cc1nc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)no1	473182972	FBGZMOFTQRRNNU-IBGZPJMESA-N	379.376	0.857	30	1	GCEF	
C=CCO[C@@H]1C[C@H]2C(=O)N3CCN(C(=O)C4CCCCC4)C[C@@H]3C(=O)N2C1	2356317680	KSTWJXNMJYNXKZ-IXDOHACOSA-N	375.469	0.792	30	1	GCEF	
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n([C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1N	105530962	YCVBNENTOZMDIA-NZUILWFCSA-N	384.417	0.822	30	1	GCEF	
CCCC[C@@H](CC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29554150	MFGGZOXRUQUDRB-NIFZNCRKSA-N	383.493	0.329	30	1	GCEF	
O=C(NO)c1cnc(N2CCN([C@@H](/C=C/c3ccccc3F)CO)CC2)nc1	45347422	JGCUARZTOABTQC-JFDDCEBESA-N	387.415	0.931	30	1	GCEF	
N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[C@@H](CC(=O)N2Cc3ccccc3C2)C(=O)N1	64564729	UYJOKMDLJXDDNB-QAETUUGQSA-N	384.411	0.886	30	1	GCEF	
C[C@@H](O)[C@H](N)/C(O)=N/S(=O)(=O)c1cccc(-c2ccc3c(c2)CNC3=O)c1	95593872	DWJGNVFDIJMANO-HWPZZCPQSA-N	389.433	0.950	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]4[C@](O)(OC[C@@]4(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)[C@H]1O[C@@]31C	238737538	IIXSMSPNCAECDY-PBSSNABYSA-N	394.420	0.299	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](OC(C)=O)[C@H]1[C@@H](C)[C@H]2O	2356428987	FQCOUKWLWDFEQU-AFAMRCFLSA-N	382.409	0.345	30	1	GCEF	
CC(C)C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C(=O)NCC#N	82065363	GWEJROGRUMEYBU-LSDHHAIUSA-N	379.461	0.074	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@]1(O)C(=O)[C@@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	169364787	DJQAYXQSWDXHIP-QSUNXLIQSA-N	393.436	0.576	30	1	GCEF	
C=C(C)Cn1c(O)c(O[S@@](=O)O)s/c1=N/N=c1\scc(O)n1C	169693544	WXOZKXJCPMZCFA-PJABCKPXSA-N	378.457	0.869	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	17119677	DQSOKUXXNKVRAY-NKOUSSCVSA-N	378.377	0.512	30	1	GCEF	
CC(C)(C)c1ccc(C#Cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)cc1	28873098	LEHRCUIPNXWRPN-RCCFBDPRSA-N	384.432	0.875	30	1	GCEF	
N#Cc1cnn(-c2ccccc2)c1NC(=O)C(=O)NCCCN1CCOCC1	58538001	TVAHHRRPELDTEB-UHFFFAOYSA-N	382.424	0.521	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3	254145262	LJFIVFJQZWRSAJ-ZRJQPULJSA-N	394.420	0.513	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@](O)(C(=C)CC(=O)C=C(C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O	254194459	YVCKUIYFOOOQJA-YJRFHVNXSA-N	376.405	0.946	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)C(C)=CCO)[C@@H]12	2356476650	MODAISDAHGURPG-RCCFBDPRSA-N	378.421	0.956	30	1	GCEF	
COc1ccc(S(=O)(=O)N2C[C@@H](N3CCCCC3)C[C@@H]2C(=O)NO)cc1	13835741	ZZEIPXVXVCUKGA-XJKSGUPXSA-N	383.470	0.818	30	1	GCEF	
C[C@H](O)[C@@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO	66251342	SNVYDNOGPYZQEV-IFXJQAMLSA-N	377.400	0.657	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C	95732577	LUVAADAAXLMVKF-MPGHIAIKSA-N	396.509	0.673	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)C(C)C)[C@H]12)O3	2356412623	WBUYPTDEWJGFBU-RJGGYNTPSA-N	382.409	0.203	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]1(O)C=C[C@H](C)C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356526533	BDYSVDKPQDAEPO-HSVMIBJBSA-N	384.469	0.088	30	1	GCEF	
CC(C)=CC(=O)C[C@]1(C)[C@@H]2C[C@@H]1[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C=C2C	2356530921	MCGRKDOAKFPLLT-RUCMHWGOSA-N	396.480	0.699	30	1	GCEF	
C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@H](C2=C[C@H]([C@H](O)C(C)(C)O)OC2=O)[C@H]1CO	2356764500	MQIRKBSTEITVIF-JDHMRRDKSA-N	382.453	0.453	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)C[C@H](O)[C@](C)(O)C[C@H](OC(=O)[C@@H](C)CC)[C@@H]12	2356597817	VNVRUPDBEIOIML-AVBXDWTRSA-N	396.436	0.436	30	1	GCEF	
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26022592	CRUTXKSXIUCGGL-DKIMLUQUSA-N	398.548	0.881	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]12)O3	256306371	LJFIVFJQZWRSAJ-QCYPCUIMSA-N	394.420	0.513	30	1	GCEF	
COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O	49114505	NWBBODCXRAHUEM-VENKKAMJSA-N	380.393	0.819	30	1	GCEF	
C[C@@H](OC(=O)c1ccc(N=C(N)N)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O	140861278	AYKYHDWZQQKSPP-MLGOLLRUSA-N	397.435	0.350	30	1	GCEF	
CCCCC#Cc1nc(NC(C)C)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	13475051	QHXPZLHXVONGRY-BGIGGGFGSA-N	389.456	0.800	30	1	GCEF	
Cc1cc([C@](C)(O)C#Cc2ccc3c(n2)-n2cc(C(N)=O)nc2CCO3)no1	215746887	XNDAOBGCXZWCFJ-LJQANCHMSA-N	379.376	0.857	30	1	GCEF	
C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)C	95712346	ZAUQWYYYMXHWKM-TXPKVOOTSA-N	388.512	0.776	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCC4)C[C@@H]23)cc1	95797746	KCHQXIBFRAJOHB-QKNQBKEWSA-N	382.460	0.982	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@H]3O[C@H]3[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]12	195518020	TZMBEJAHWVHDNJ-FWXLPFJFSA-N	392.404	0.182	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@@]4(CC[C@H](OC(=O)/C(=C\C)CO)[C@]3(C)C[C@H](O)[C@@H]12)CO4	238771317	GYTQOYJFIYKHCR-PCMMIHQXSA-N	378.421	0.885	30	1	GCEF	biogenic
C/C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C1\C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C	238788836	BMEBQSNRADUDKN-YLGIAJKPSA-N	396.480	0.845	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)=CC)[C@@H](O)[C@]1(C)OC(=CC1=O)[C@@H](C)[C@H]2O	2356518007	BOSMSDXDJXIVAW-FHLJYSQXSA-N	392.404	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@]21O	2356583342	QUSNLLJZMPVTTC-PJDQUSECSA-N	392.404	0.014	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@@H]1CC[C@]2(O)C(=O)CO	2356625738	XUQWWIFROYJHCU-FUQFRRBTSA-N	376.449	0.961	30	1	GCEF	
COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(CO)[C@H](C[C@@H](O)C(C)(C)[C@H]1C=O)OC3=O	2356673590	QPEQEZCPFMGPAC-SYSLEXAVSA-N	394.464	0.744	30	1	GCEF	
COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=Nc3cc(C)cc(C)c3)S[C@H]12	2356834523	KBWFGLHPGZIWJU-BPKGMFCQSA-N	393.509	0.869	30	1	GCEF	
C[C@H]1CO[C@H]2C(CN3CCN(C)CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32	52996742	QXPZFZNTFIOTEO-PBQZTSCYSA-N	377.416	0.407	30	1	GCEF	
CC1=C[C@@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]2(CO)C[C@H]1OC(=O)CC(C)C)[C@@]31CO1	14692893	DDAUKBBLCGQHIP-NXDWMYKISA-N	382.453	0.551	30	1	GCEF	endogenous,in-man
CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCN)n2)cc1	38151254	ZSPLIVVDDWHVPN-UHFFFAOYSA-N	388.453	0.240	30	1	GCEF	
COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@H]23)cc1	95874162	ZDFVZRKTEWGSHZ-XPNTWCBSSA-N	399.535	0.997	30	1	GCEF	
N#CCC[C@]1(c2nc(N)nc(N)n2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21	963229856	QIOCVQMQHWZTQS-KUHUBIRLSA-N	390.407	0.730	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1C=C[C@](C)(O)[C@H]21	2356287488	KNBQELVVKBFJKR-QXKNQTRRSA-N	376.405	0.420	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)[C@@H](O)C[C@@H](OC(=O)CC(C)C)[C@H]1[C@@H](C)[C@H]2O	2356631788	OKSQNWDMNROCEX-LGIYEWNUSA-N	382.453	0.801	30	1	GCEF	
N/C(=N\[N+](=O)[O-])NCCC[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)NO	45316408	DHENBWAOBADTQO-AWEZNQCLSA-N	388.384	0.320	30	1	GCEF	
CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(O)[C@H]2OC(=O)[C@@H](C)[C@H]12	238781786	BDZHFCAKQIOKHS-LPOBFPNRSA-N	398.452	0.300	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)O[C@H]4O)[C@@H]2O	2356840743	MUAOVIQJUITNMQ-YQUKDSQBSA-N	376.405	0.422	30	1	GCEF	
C[C@@H]([C@@H]1CO1)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O	1857544298	ZDGZIEYAACQMLJ-KYXFWPFGSA-N	386.400	0.690	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)C(C)=CCO)[C@H]12	2356485275	ZMEFVYTUBDLSJT-SVELIZGLSA-N	376.405	0.661	30	1	GCEF	
O=C1C2=C(CC3=C(C2)CS(=O)(=O)C3)C(=O)C2=C1CC1=C(C2)CS(=O)(=O)C1	1648860	GOCPEQSVMMQQSX-UHFFFAOYSA-N	392.454	0.769	30	1	GCEF	
N[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)NO)[C@@H](O)c1ccc([N+](=O)[O-])cc1	58655668	RWNRWRAUBGOASE-XHSDSOJGSA-N	388.380	0.188	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@@H]3[C@H](OC(C)=O)C[C@H](O)[C@]3(C)[C@H](OC(C)=O)[C@@H]12	2356428989	FQCOUKWLWDFEQU-RYOQPONISA-N	382.409	0.345	30	1	GCEF	
CCS(=O)(=O)ON1C(=O)c2ccc(NC(=O)CCCC(=O)OC)cc2C1=O	1547204	WGGORIKZTULMST-UHFFFAOYSA-N	398.393	0.846	30	1	GCEF	
O=C1NC(=O)/C(=C/C2=CN[C@@H]3/C(=N/C4CC4)N=C(C#Cc4ccccc4)C=[N+]23)N1	1772622744	USJHRFIQHWAQLS-IBGZPJMESA-O	385.407	0.631	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)[C@](O)(CO)[C@@H](C)O)[C@H]12	2356472600	CSLDZLRWNOJBIW-KCWUNFHDSA-N	396.436	0.148	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(COC(C)=O)=CCC[C@@]1(CO)O[C@H]21	2356486795	DUTVXWKDWRTKRZ-MUDKKEKZSA-N	380.393	0.819	30	1	GCEF	
C#CCN1C[C@H](N(C)CCOC(=O)c2ccc([N+](=O)[O-])cc2)CS1(=O)=O	96020625	XVDPGCIBFZQRQP-HNNXBMFYSA-N	381.410	0.331	30	3	GCEF	
O=C(CCS)N[C@H]1c2nc(CCc3ccccc3)cn2[C@H](CO)[C@@H](O)[C@@H]1O	64746713	ZEEDRHPJCAOZKV-VDHUWJSZSA-N	391.493	0.414	30	1	GCEF	in-vitro
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]2C	85847476	AVZCSGMWWXMJEA-IBTRMHITSA-N	396.480	0.843	30	1	GCEF	in-man
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@@H](OC(=O)C(C)=CCO)[C@H]12	2356476648	MODAISDAHGURPG-KURKYZTESA-N	378.421	0.956	30	1	GCEF	
OC[C@@H]1O[C@@H](O/N=C/c2ccc(OCc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@H]1O	40548126	KYYOETBZDHJWBK-FIGQLFQWSA-N	389.404	0.416	30	1	GCEF	
O=C(O)c1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)cc1	96168620	MZGGYBVJMCPSIY-MNOVXSKESA-N	385.354	0.326	30	1	GCEF	
COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1	299829455	KOBWSBLADQWBNP-WFHDYMNESA-N	388.416	0.663	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1CC(=O)[C@H](C)[C@H]12	2356617797	RSMYKTKKFRLXQD-HHJONDPTSA-N	376.405	0.708	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@]1(O)O[C@H]3OC	1772634846	NUYJBFSDWBBTBE-NHJCYEMQSA-N	394.464	0.960	30	1	GCEF	
COc1ccc(S(=O)(=O)N2C[C@@H](NOC(C)(C)C)C[C@@H]2C(=O)NO)cc1	13803465	AJUUQAWYLUYLDD-SMDDNHRTSA-N	387.458	0.652	30	1	GCEF	
C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccc(OC)cc2)n(C)c1=O	103251208	IBNPMFWURGXLHD-UHFFFAOYSA-N	379.420	0.949	30	1	GCEF	
C=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@@H](O)CC=C(C)[C@H]2C1	2356430980	YCPOPAUEGHAQIJ-HEEAJRSSSA-N	398.496	0.493	30	1	GCEF	
N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1cccnc1	82064748	FFXUWODVYLLYPV-INIZCTEOSA-N	386.433	0.435	30	1	GCEF	
CCS(=O)(=O)N1CC(CC#N)(n2cc(C(N)=O)c(Nc3ccccc3)n2)C1	204996237	YTVYGTUEFMWHDG-UHFFFAOYSA-N	388.453	1.000	30	1	GCEF	
CO[C@@H]1[C@@H]2OC(=O)[C@@H]([C@H]2C(C)C)[C@@]2(O)[C@H]3O[C@H]3[C@]3(C[C@H]([C@H](C)O)C(=O)O3)[C@]12C	95914388	ZZBIHAVENDMJFR-GUMVDTSJSA-N	396.436	0.030	30	1	GCEF	biogenic,in-vitro
Cn1c(=O)cnn(CCCCN2CCN(c3c(F)cccc3C#N)CC2)c1=O	299826900	NWECVFKCGNEJJN-UHFFFAOYSA-N	386.431	0.555	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@H]12)O3	2356602780	LNRVVOBVXXPDNC-NZRFLNHFSA-N	394.420	0.752	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12	254079390	TZMBEJAHWVHDNJ-GXHHKTNTSA-N	392.404	0.182	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	257473871	LKLDZCIWUDJQCF-BDEUTHHQSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@]3(O)O[C@@H]2OC	101437941	XHYABSFBWXRDOI-QUTINQDXSA-N	394.464	0.348	30	1	GCEF	
C[C@@]1(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)Cn2nnnc2C(N)=N1	1857548136	NXQAJOXTJCKILO-SFHVURJKSA-N	391.370	0.965	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@@H]12	2356450015	FZSIKVMXFMQGQQ-SEBNEYGDSA-N	379.869	0.263	30	1	GCEF	
O=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@@H]5O	40410307	BCPICRNXIKGDCQ-BNRPUBERSA-N	382.324	0.961	30	1	GCEF	
O=C(OCCN1CCCCC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	220089774	PRDLNXPZAMTUPB-RYUDHWBXSA-N	377.419	0.019	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@H]1CC[C@@]1(C)[C@@]3(O)C(=O)O[C@H]([C@@H]4O[C@@H]43)[C@]21O	238780841	YIGJALXRDQTQOK-MTCJEVTMSA-N	390.388	0.859	30	1	GCEF	
N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](OCC(N)=O)CO[C@@H]43)n2)c1	2356841273	NGLUFKDUBBBGEP-JOCBIADPSA-N	381.392	0.464	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)C2CCS(=O)CC2)cc1	13586016	NPIXRIRDKCZNLD-GETIGHOQSA-N	399.490	0.895	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27627699	FAQMCKSIBZGZIB-ZLJUKNTDSA-N	380.393	0.304	30	1	GCEF	endogenous,in-man
CC[C@@H](C)[C@H](NC[C@@H](N)CS)C(=O)NCc1ccc(S(N)(=O)=O)cc1	38311870	PADMSKLBVWORHM-KYOSRNDESA-N	388.559	0.212	30	1	GCEF	
C[C@H]1CC[C@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]2(C(=O)[C@]4(C)C([C@@H](C)CO)=CC3=O)[C@@H]1O	104366462	BKRBOORGXGTRIL-RTLJGQTOSA-N	380.437	0.089	30	1	GCEF	in-man
C=C1C(=O)O[C@@H]2C=C(C)[C@H]3CC[C@@](C)(O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H]3C[C@H]12	238764887	HAJFFIWQPAZQOS-KDTFIWMLSA-N	380.437	0.675	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@H]21	2356485272	ZMEFVYTUBDLSJT-IFBNNOTLSA-N	376.405	0.661	30	1	GCEF	
CS(=O)(=O)c1ccc2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2	13470452	BXBHQBATRBBMNC-UHFFFAOYSA-N	394.434	0.506	30	1	GCEF	
C=C1C[C@H](O)[C@@H](C(=C)C(=O)O)[C@H](OC(=O)[C@@H]2CCCN2)[C@H]2C(=C)[C@@H](O)C[C@@H]12	238778442	HDPVXRRHYPQQSU-MJRVHVRYSA-N	377.437	0.781	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@@H]12)O3	2356455234	LJFIVFJQZWRSAJ-KYMCYIMRSA-N	394.420	0.513	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C(=O)OC(C)(C)[C@@](C)(O)[C@@H]1O	2356580085	ODESZJAFYLEJHT-CARHXDTOSA-N	394.420	0.966	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)C[C@@]1(C)[C@H](O)CC=C(C)[C@@H]21	13486791	GWJXGILYDSNHLU-GEHHXAHPSA-N	378.421	0.644	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(OC)cc3)CN21	22936919	MQHKMFDRMWWRAC-SCTDSRPQSA-N	384.480	0.256	30	1	GCEF	biogenic
N#CC1CCN(c2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)CC1	205020285	SIDSOLMJTIXXIX-QPEQYQDCSA-N	393.411	0.619	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]3[C@@](C)(O)CC[C@@H](O)[C@@]3(C)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356545454	SVFPCVAHUZWSGH-RJLXXNIUSA-N	380.437	0.865	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	27442625	RNXXTXZMLODQHB-NYPSQJCFSA-N	398.496	0.922	30	1	GCEF	
C[C@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO	66251340	SNVYDNOGPYZQEV-LIRRHRJNSA-N	377.400	0.657	30	1	GCEF	
O=C1C[C@H](O)[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@H]5O	2356515805	BCPICRNXIKGDCQ-ZVDFFIHVSA-N	382.324	0.961	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H]([C@H](C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C2	2356553543	DXPZBIQCCNPZKD-JFWIIZPYSA-N	380.393	0.450	30	1	GCEF	
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CS)C(N)=O	49016454	XUMOSFCGTFGSIQ-HOCLYGCPSA-N	376.482	0.751	30	1	GCEF	
CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NO)OC(C)C	13776864	UHJDYMMCTFTTSW-JKSUJKDBSA-N	390.440	0.630	30	1	GCEF	
O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cnc2c(c1)=C(O)C(=O)N=2	587887949	DAAOBSGVVJSLBM-UHFFFAOYSA-N	388.210	0.925	30	1	GCEF	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@H]1[C@H](C(=O)O)C[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	2356542935	BXVKWOYHHOIALN-HDCFDEMESA-N	394.420	0.967	30	1	GCEF	
C=C1C[C@]23C[C@@]4(O)[C@H]5[C@]6(C)C[C@@H](O)[C@@H](OC(C)=O)[C@]57[C@H]2C[C@@H]1C(=O)[C@@H]3[C@H]7N4C6	2356598514	SMKLDHHGRDTUQJ-ZJNCNHKESA-N	385.460	0.863	30	1	GCEF	
NC(N)=NCCCCCC(=O)N[C@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1	26986216	JLBREKNUZDZQDE-DLBZAZTESA-N	388.516	0.107	30	1	GCEF	
C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C/C(=O)/C=C(/C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	136603199	NYQXKINSRDCSCG-BWKKETOJSA-N	376.405	0.946	30	1	GCEF	
Cc1nc(-c2nc(C(=O)N[C@H](C(=O)NCC(=O)NO)C(C)C)cs2)cs1	147361817	RXLKDJFLZGULPX-LBPRGKRZSA-N	397.482	0.951	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@]3(C)O[C@@H]3[C@@H]3OC(=O)[C@H](CO)[C@@H]3[C@H](O)[C@@]23O[C@]13C	2356465648	CEWJOPKSFGXYQJ-VWGICBPVSA-N	394.420	0.094	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]12)O3	254145253	LJFIVFJQZWRSAJ-DNZSFLHFSA-N	394.420	0.513	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(=C)CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@@H]34)[C@@H]1O	2356387570	YVCKUIYFOOOQJA-GFSDCARUSA-N	376.405	0.946	30	1	GCEF	
CCCCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O	116817728	GNYFNLGMSBCRCL-ZKRNXSKHSA-N	393.444	0.931	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(\CO)[C@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]12)O3	195495209	LJFIVFJQZWRSAJ-GVWBCQMBSA-N	394.420	0.513	30	1	GCEF	
CC(=O)O[C@]1(C)C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@H]4C)[C@@H]23	2356673899	RBCAOQGTCQIAIE-PTFVYICUSA-N	393.436	0.975	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@H](O)[C@H]([C@@H](C)C(=O)O)[C@H](OC(=O)C(=C)CO)C1	2356708881	GXAXDQKTBBMKOO-GWNLFYIMSA-N	398.408	0.099	30	1	GCEF	
CC(=CC(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@@](C)(C=C3OC(=O)C(CO)=C31)O2)CO	2356632054	DBMGPEMMKIFUBP-UHBVIIIMSA-N	390.388	0.848	30	1	GCEF	
COC(=O)[C@H](CCCN/C(N)=N/[N+](=O)[O-])[C@@H]1C(=O)C[C@@H]2C1=CC(=O)CC2(C)C	87722634	WLLXUSAXZPDCPL-KYOSRNDESA-N	394.428	0.782	30	1	GCEF	
O=C(CCCCC[C@H](NC(=O)[C@@H]1CCNC1=O)C(=O)Nc1ccccc1)NO	103232987	OBQXNVXJMUPSRH-CABCVRRESA-N	390.440	0.702	30	1	GCEF	
C[C@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O	238779232	CZQLULNMKQAIQL-DUKJDFQYSA-N	381.425	0.221	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@]1(C)[C@@H]2[C@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]12	2356744543	PYRTUYSUPAFERK-DFTNYLIQSA-N	390.388	0.715	30	1	GCEF	
CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)cc1	207069490	NZNMYJQMRVIPTP-KBPBESRZSA-N	398.441	0.690	30	1	GCEF	
C[C@]1(CO)CCC[C@]2(C)[C@@H]3C[C@]45O[C@@H]4[C@H](O)[C@]4(CO)O[C@@H]4[C@]5(O)CC3=CC[C@H]12	2356718254	OYLVOLOSQHRPLK-CRHDAGKVSA-N	392.492	0.905	30	1	GCEF	
N#Cc1ccccc1N1CCN(CCCN2CC(=O)N3CCC[C@H]3C2=O)CC1	13861477	JJNRPUOOWBAIQT-IBGZPJMESA-N	381.480	0.904	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@]3(C)CCC=C(C)[C@H](O)[C@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@]12O[C@@H]3O	2356581438	WFLSXZQWWJXMLO-BUQSDFONSA-N	394.420	0.752	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3	238743875	PBHKMDBIOFKKFO-ABAKUFSYSA-N	396.436	0.593	30	1	GCEF	
C=C(C)[C@@H]1CC(=O)C[C@H]2O[C@@](C)(CC2=O)C[C@H](O)[C@@H]2O[C@@]2(C(=O)OC)[C@@H](O)C1	2356765055	LQKBZDWBXWSEMX-CQAFCDDMSA-N	396.436	0.471	30	1	GCEF	
CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C	65748763	DDAUKBBLCGQHIP-BEEYJRGMSA-N	382.453	0.551	30	1	GCEF	in-man
O=C1C[C@H](O)[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@@H]1O[C@H]1[C@@H]5O	2356515804	BCPICRNXIKGDCQ-XFXFVJPCSA-N	382.324	0.961	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@]4(CO)CO4)[C@H]12)O3	2356837336	LJMOAYAQYBADNI-CKCPGNTPSA-N	378.377	0.429	30	1	GCEF	
O=C(N[C@@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cnccn1	40764214	BQTDLIDFNQXFBQ-UONOGXRCSA-N	388.449	0.707	30	1	GCEF	
CCOP(=O)(CNc1nc(N)c(C(=O)N=C(N)N)nc1Cl)OCC	73129728	YIPGVGJGQWDLRI-UHFFFAOYSA-N	379.745	0.761	30	1	GCEF	
N#CCCN(c1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)C1CC1	205019888	ACGUUWNODOXDCB-JYRVWZFOSA-N	393.411	0.761	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@]21O	1857623059	NFHWFFQENCGSQZ-IRMRTTNYSA-N	376.405	0.801	30	1	GCEF	
Cc1cc(N2CCN(C(=O)[C@H]3NCC4(CC4)C[C@@H]3C(=O)NO)CC2)ccc1C#N	29037947	ZUTQIHRPMPHINT-ROUUACIJSA-N	397.479	0.779	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@@H]12	238739620	NQLSOZXAYWLVJD-XKNDWCNCSA-N	380.393	0.265	30	1	GCEF	
COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@](C)(O)[C@@H](O)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C	238762273	NWJNNRWDONVYAY-PLOUVOJXSA-N	394.464	0.802	30	1	GCEF	
CC(=O)C1=C(O)C=C2O[C@]34O[C@]3(C(C)=O)C(O)=C(C)C(=O)[C@]4(O)[C@]2(C)C1=O	621430865	CCGMYIMQBASKSA-MHORFTMASA-N	376.317	0.091	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1[C@H](O)[C@@H]3O[C@]3(C)[C@H]12	2356406356	UIXYMAJVRZFHBB-DKGJWRKCSA-N	376.405	0.801	30	1	GCEF	
NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc(S(=O)(=O)O)cc32)cc1	13470454	HEPUDXNQFWKBLI-UHFFFAOYSA-N	396.406	0.349	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2cccnc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73224181	NTKWLLMCHRSGPS-ZRJCITRHSA-N	375.816	0.022	30	1	GCEF	
COC(=O)CCCC(=O)Nc1ccc2c(c1)C(=O)N(OS(C)(=O)=O)C2=O	13476666	VDSVQLKGOODWJV-UHFFFAOYSA-N	384.366	0.456	30	1	GCEF	
C[C@@]1(CO)CCC[C@]2(C)[C@H]3C[C@@]45O[C@@H]4[C@H](O)[C@]4(CO)O[C@@H]4[C@]5(O)CC3=CC[C@@H]12	49034450	OYLVOLOSQHRPLK-IEKLPPMNSA-N	392.492	0.905	30	1	GCEF	
COc1ccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)cc1	1857556595	PQHDXFBZUNFPHC-HNNXBMFYSA-N	376.417	0.995	30	1	GCEF	
COc1cc(N2C(=O)C(C)(C)N(CCCS(N)(=O)=O)C2=S)ccc1C#N	35943072	JSRULUANHPEMHN-UHFFFAOYSA-N	396.494	0.958	30	1	GCEF	
C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@H](O)[C@]2(C)CC[C@@H](C(=C)C)C[C@H]12	238744477	VGMXDSYTGIFDBM-PRKPCELASA-N	398.496	0.491	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@@H]12	2356755486	PQMWCHJGFCQNRD-HLDVRSIZSA-N	376.405	0.899	30	1	GCEF	
C[C@]12CC(=O)[C@@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	255197699	BCHHPSBWEQCAPG-JFSRIYKDSA-N	376.449	0.961	30	1	GCEF	
C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12COC(=O)[C@@](C)([C@H](O)[C@H](O)C1)[C@H]2[C@H]3C(=O)O	257529996	RERZXVXKJOZXIL-VMZVFYFUSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](CO)[C@H]12	2356407150	RBVQQTSGUPXDEI-HSROEURTSA-N	398.408	0.301	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H]2O[C@@H]2[C@H](C)[C@]1(O)C(=O)C[C@H](C)O	2356490736	UFACXRAFFYZVIR-SGRIQYJESA-N	396.436	0.530	30	1	GCEF	
CC(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(=N)N	14651407	JDLOASBKUAQMFJ-IRXDYDNUSA-N	389.500	0.707	30	1	GCEF	biogenic
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169372882	DQSOKUXXNKVRAY-RJBYQVBTSA-N	378.377	0.512	30	1	GCEF	
CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]3C[C@@H]([C@@H]12)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC	255200857	BSBCHFAQVMPCHU-JUPMKXFOSA-N	391.508	0.646	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1[C@H](O)C=C(C)[C@H]21	2356381323	IKJCOTOCIDNGHA-ZXLDYLNASA-N	376.405	0.420	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@@H]2O[C@@H]2[C@@H]2O[C@H]21)C(=O)OC	253666693	DJQAYXQSWDXHIP-WOIIDEHOSA-N	393.436	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@]3(C)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)CC(C)=C3C[C@@H]12	2356597389	FZNAAAXBFOLDKW-ONRNWBASSA-N	380.437	0.819	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@](O)(CO)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@H]12	2356657294	AQWYQKBXSZYHMI-VULUUOTQSA-N	396.436	0.388	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)C[C@@H]3[C@H](C)[C@@H](O)[C@@]4(O)OC[C@@]13[C@H]42	257567065	VLYMLZRDCSQUQF-IYGFMWRSSA-N	378.421	0.166	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@]3(C)O[C@@H]3[C@@H]3OC(=O)[C@H](CO)[C@@H]3[C@H](O)[C@]23O[C@]13C	2356465649	CEWJOPKSFGXYQJ-ZKHZNRIQSA-N	394.420	0.094	30	1	GCEF	
COC1=CC(=O)c2ncnc(NCCCn3cnc4c(N)ncnc43)c2C1=O	27521289	BZNXMCFIOMIOGH-UHFFFAOYSA-N	380.368	0.610	30	1	GCEF	
COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](O)/C=C\C[C@H](C)OC2=O	169341838	NWBBODCXRAHUEM-VNPPPKRKSA-N	380.393	0.819	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3cccc4ccccc34)[C@@H]12	2356837540	LKKYRIRZPNIPJU-XXQMMXQMSA-N	395.484	0.763	30	1	GCEF	
COC(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)c1ccc2ccccc2c1	27889650	RKFUJKVWFGKLLW-OAHLLOKOSA-N	378.454	0.713	30	1	GCEF	
C=C(C)[C@@H]1C[C@@]2(C)C(=CC(=O)C[C@@H]2C)C=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238735314	COXRJHSETJGOOL-KFJVXHGCSA-N	394.464	0.824	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H](O)[C@@](C)([C@@H](C)O)OC(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]21	2356532693	UNYWYFFFHHQZSP-BWDYKABKSA-N	380.393	0.576	30	1	GCEF	
CCC[C@](C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)NO	221938352	QEPLYGRLRUAYII-OAHLLOKOSA-N	385.398	0.831	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)O[C@H]4C)[C@H]12)O3	2356602779	LNRVVOBVXXPDNC-NKXRCREPSA-N	394.420	0.752	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO	95795586	GZUVWCYBIDXRNG-RZUBCFFCSA-N	375.428	0.999	30	1	GCEF	
CC1(C)[N+]([O-])=c2ccc(COc3cccc(/C=N/NC(N)=S)c3)cc2=[N+]1[O-]	299826286	GLNDDFAQIGCHLY-KEBDBYFISA-N	385.449	0.160	30	1	GCEF	
COC(=O)[C@H](CCC(=O)NO)NC(=O)CCCCNC(=O)c1ccccc1	1772611511	ATMGMGSBKOLNNK-AWEZNQCLSA-N	379.413	0.530	30	1	GCEF	
C=C(C)[C@H]1CC[C@@]2(C)[C@H](O)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356424419	VGMXDSYTGIFDBM-XHQAJILDSA-N	398.496	0.491	30	1	GCEF	
COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(CO)[C@H](C[C@H](O)C(C)(C)[C@@H]1C=O)OC3=O	2356673591	QPEQEZCPFMGPAC-UUXHGOBOSA-N	394.464	0.744	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	100778370	FQTLNSKVFLETSS-PRCHZZHGSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
CC(=O)/C=C(\O)C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	238784350	RNXIYUPSPXDHNB-GYEPODLRSA-N	386.441	0.339	30	1	GCEF	
CC(=O)O[C@@H](C=C[C@@H]1O[C@@H]1[C@H]1OC(=O)C=C[C@H]1OC(C)=O)[C@@H](C)OC(C)=O	2356504578	WSMOXQBLJXEQNX-MQKOOPMKSA-N	382.365	0.607	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@]1(C)[C@@H]2[C@H]2OC(=O)[C@@]1(O)[C@@H]1O[C@H]21	2356744545	PYRTUYSUPAFERK-PRCUKFPASA-N	390.388	0.715	30	1	GCEF	
CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(N)=O)[C@H](CS)C(=O)NO	27088020	LTWYSAHDLPXJRF-ILXRZTDVSA-N	381.498	0.913	30	1	GCEF	
COc1cc2c(cc1OC)CN(C(=O)C[C@H](N)C(=O)N1CCC[C@H]1C#N)CC2	28470907	IXTYKLRDJPLWOX-HOTGVXAUSA-N	386.452	0.820	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12	103554519	HUSWYTADELXPIC-SZNCEYQOSA-N	378.421	0.954	30	1	GCEF	biogenic,in-vitro
C[C@]12CC(=O)[C@@H]3[C@@H](C[C@@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	86860009	BCHHPSBWEQCAPG-GCVFNWPRSA-N	376.449	0.961	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(F)cnc3[nH]2)cc1	586940592	YAWVVAITSGDFFT-UHFFFAOYSA-N	388.384	0.563	30	1	GCEF	
C=C1C(=O)O[C@H]2C=C(CO)CCC(O)=C(C)C[C@@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]12	2356480993	YXSRKMIQVUZBKW-MHORFTMASA-N	394.420	0.840	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)CC[C@@H](O)C(=C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12	2356533608	MATHKSWBRWHKPE-ZJPYXAASSA-N	378.421	0.954	30	1	GCEF	
O=C(NO)c1cnc(N2CCN([C@@H](/C=C/c3ccc(F)cc3)CO)CC2)nc1	38238840	UOEXMKBLKQPTKA-ZVVFDCPKSA-N	387.415	0.931	30	1	GCEF	
CN(C)c1ccc([C@@H]2[C@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1	103131033	ZJQFYFPTWIOGPR-WDEREUQCSA-N	378.439	0.438	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C(\O)CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	238772284	YXSRKMIQVUZBKW-NPLYLIAMSA-N	394.420	0.840	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H](C=O)[C@@H]1CC[C@](C)(O)[C@@H]21	2356628463	UQAUQYHROZPOMC-NVUAMRIOSA-N	378.421	0.929	30	1	GCEF	
COC(=O)C1=C(/C=N/O)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12	169336494	QEFSTFAGYPVFAU-TWGBRPHXSA-N	381.435	0.578	30	1	GCEF	
CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27637504	UROCTWOJYLMRHO-LVJXWLTRSA-N	382.409	0.096	30	1	GCEF	
CNC(=O)OCc1c2c(n(C)c1COC(=O)NC)C(=O)C(C)=C(N1CC1)C2=O	29548033	YSMSGTOQGZGDKB-UHFFFAOYSA-N	390.396	0.706	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(O)cc3[nH]2)cc1	586940577	XWCNGFUKUYDDDE-UHFFFAOYSA-N	385.405	0.735	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@]3(C)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)CC(C)=C3C[C@@H]12	2356597390	FZNAAAXBFOLDKW-PCVCQPQVSA-N	380.437	0.819	30	1	GCEF	
COC(=O)C[C@]1(O)C=C(C)C2=CC(=O)[C@]3(C)[C@H]4C(=O)O[C@@H]([C@@H]4C)[C@H](O)[C@@H]3[C@@]21C	2356635045	RDSBGXYBCRGDBG-AYENIDJCSA-N	390.432	0.931	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1	587222781	ZXMSUGOKKHJRLW-VHSXEESVSA-N	393.787	0.912	30	1	GCEF	
CS(=O)(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO	2356609704	KPZACOXJRSCTBD-UHFFFAOYSA-N	379.232	0.688	30	1	GCEF	
CC(=O)C1=C(O)C=C2O[C@]34O[C@@]3(C(C)=O)C(=O)C(C)=C(O)[C@]4(O)[C@]2(C)C1=O	103028996	URWDTWBQFIXPCU-XSLAGTTESA-N	376.317	0.091	30	1	GCEF	
CCc1[nH]c(=N)nc2c1ccn2-c1ccnc(C#C[C@@]2(O)CCN(C)C2=O)c1	1857567250	GWRZKZYYTLFWLA-HXUWFJFHSA-N	376.420	0.735	30	1	GCEF	
COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cc(C)cc(C)c3)S[C@@H]12	2356834525	KBWFGLHPGZIWJU-XAJHFOFHSA-N	393.509	0.869	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@]3(C)O[C@@H]3[C@@H]3OC(=O)[C@H](CO)[C@@H]3[C@H](O)[C@@]23O[C@@]13C	2356465646	CEWJOPKSFGXYQJ-JQXPKXFESA-N	394.420	0.094	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@]3(C)C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)CC(C)=C3C[C@H]12	2356597391	FZNAAAXBFOLDKW-RAYGUYKUSA-N	380.437	0.819	30	1	GCEF	
CCC(=O)[C@@H]1O[C@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@@H](O)[C@@H]1O	169727104	MBXWXPUSFDNWKE-BOSXTWCSSA-N	393.403	0.407	30	1	GCEF	
CC(=O)O[C@H]1C2=C(CO[C@]13O[C@@H](C)CC[C@H]3OC(C)=O)C(=O)[C@](C)(O)[C@@H](O)C2	2356719015	MPVZXVXIZMIJFZ-PQXIXKRUSA-N	398.408	0.157	30	1	GCEF	
CCN[C@@H]1C[C@@H](C)S(=O)(=O)c2sc(S(=O)(=O)/N=C(\O)CNC)cc21	27199181	LDZKSFIAAKAVTR-PSASIEDQSA-N	395.528	0.829	30	1	GCEF	
C=C1C[C@H]2OC(=O)C(=C)[C@H]2C[C@@H]2[C@@H]1CC[C@@]2(C)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O	238760113	MIKLNTRXJYLFKM-KDTFIWMLSA-N	380.437	0.675	30	1	GCEF	
COc1ccc(/C(CSc2nc3c(=O)n(C)c(=O)n(C)c3[nH]2)=N\O)cc1	1857542710	WPMCLNWINMKXCA-ODLFYWEKSA-N	375.410	0.940	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H](O)[C@](C)(O)C(C)(C)OC(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]21	2356580089	ODESZJAFYLEJHT-WYZUYQNLSA-N	394.420	0.966	30	1	GCEF	
C=C(OC)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@H]21)CO[C@H]3O	2356616399	VRWCUUDDJCWFII-WGGAGSLSSA-N	378.377	0.753	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@@H]([C@@H](O)[C@@H]1C(=C)C(=O)OC)[C@]1(CC[C@H]2O)CO1	238776461	JXJRDHGEDHUWKO-AMGUTXRSSA-N	396.436	0.103	30	1	GCEF	
C=CCn1c(=O)/c(=C/c2ccccn2)s/c1=C(/C#N)C(=O)NC[C@@H]1CCCO1	6456695	MVCQQIBVPQLXKK-DXOCHCMJSA-N	396.472	0.289	30	1	GCEF	
O=C(OC[C@H]1CO1)c1ccc(C(=O)OC[C@H]2CO2)c(C(=O)OC[C@@H]2CO2)c1	100049714	YNOWBNNLZSSIHM-UPJWGTAASA-N	378.333	0.353	30	1	GCEF	
OC[C@H]1O[C@H](n2ncc3c(SCC#Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O	48999090	AFTCYPVBBWQPIP-NNFUDEMPSA-N	398.444	0.582	30	1	GCEF	
C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2cccc(N)c2)cc1)C(=O)NO	66156818	QUFKKFVHFGSEHV-KUHUBIRLSA-N	377.400	0.657	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@@H]2[C@H](/C=C(/C)C3=CC(=O)[C@](C)(O3)[C@@H]1O)OC(=O)[C@@]21CO1	238739843	SCYULBYWDDKXSN-ZLIYGJDVSA-N	376.361	0.348	30	1	GCEF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@H](NS(=O)(=O)N2CC[C@@H](C#N)C2)C1	261176399	UYSGAWMQMRAGJH-AVGNSLFASA-N	375.458	0.605	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)C(C)=CC)[C@@H]12)O3	2356455232	LJFIVFJQZWRSAJ-FUPAWJDQSA-N	394.420	0.513	30	1	GCEF	
C=C[C@]12[C@H](CC)OC(=O)C(=C)[C@H]1[C@@H]1OC(=O)C(=C)[C@H]1[C@H](OC(=O)CCO)[C@@H]2O	95486103	RZVMPVHNSFYQFW-TZSJZLCQSA-N	392.404	0.433	30	1	GCEF	biogenic,in-vitro
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)CC2(CC#N)COC2)C1	261159936	QRBIOPYFNMJDBK-BETUJISGSA-N	390.469	0.775	30	1	GCEF	
C/C=C(\C)C(=O)O[C@H]1[C@@H]2[C@@H](/C=C(/C)C3=CC(=O)[C@@](C)(O3)[C@@H]1O)OC(=O)[C@@]21CO1	525914814	ILBSAWZDZCQMLZ-BLOMFVLPSA-N	390.388	0.738	30	1	GCEF	biogenic
N#Cc1cc(Cl)c2[nH]c(CC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc2c1	587221588	WTCOXHSZGYZSCS-NXEZZACHSA-N	393.787	0.392	30	1	GCEF	
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@H](O)[C@]3(C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12	2356737391	PGUAGAYXKYJYDR-BHZNCXQASA-N	378.421	0.788	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(=C)[C@@H]2CCC(CO)=C[C@@H]2[C@H]1C(=C)C(=O)O)[C@H](O)CO	2356847165	OUHXXXBKZQPLON-QXDIGNSFSA-N	378.421	0.969	30	1	GCEF	
N#CCNC(=O)[C@H](CC(=O)N1CCOCC1)CS(=O)(=O)Cc1ccccc1	82064836	LXBPFBABWSVQQV-MRXNPFEDSA-N	393.465	0.106	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@H](CO)[C@@]3(O)C[C@@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	85722713	SNUZCOSRHAIVKC-AGJAXNTESA-N	396.436	0.593	30	1	GCEF	in-man
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)CC(C)C)[C@@H](O)[C@@]1(C)OC(=CC1=O)[C@H](C)[C@@H]2O	103268017	MYMZBCAFLYYXKH-HEYWDCBFSA-N	394.420	0.656	30	1	GCEF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3ccc(C#CCO)cc3)N2C(=O)[C@@H]2CCCN12	963215557	BEAUDLNEWMDLEO-LNLFQRSKSA-N	376.416	0.601	30	1	GCEF	
C=C1[C@]2(C)CC[C@]3(O)[C@@H](O)[C@]2(C[C@H](O)[C@]2(O)C(C)(C)[C@H](O)[C@H](O)[C@]12C)C[C@H]3C	2356347219	LHLWKUMQYBFARS-QAZQGHGESA-N	396.524	0.725	30	1	GCEF	
C/C(=C\c1ncc(CO)o1)C[C@@H]1OC[C@H](C[C@@H]2O[C@H]2[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O	27522838	WNLULHRUQCWLSR-UWKWYCKNSA-N	397.468	0.872	30	1	GCEF	
CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@@H]3[C@]14CO[C@](O)([C@H]24)[C@@H]1O[C@]31C	115726075	CTTCLRYSVNVYJB-ZOGQTZABSA-N	378.421	0.119	30	1	GCEF	
CCOC(=O)[C@H]1O[C@@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665379	RUQQPVXMOKJQCG-XWCSARSNSA-N	387.432	0.877	30	1	GCEF	
Cc1cc(C#CC#Cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)ccc1F	84733531	LCTYQZMILMSKCG-RCCFBDPRSA-N	384.363	0.028	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H](C)C3=CC(=O)[C@](C)(C[C@H](OC(=O)[C@@](C)(O)CO)[C@@H]12)O3	685935838	YPLCCQMLBSLPHF-WCALLQFDSA-N	380.393	0.411	30	1	GCEF	biogenic,in-vitro
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(C)c(Cl)c3)[C@H]21	2356875367	ZPHLBDRLDIQPFY-DGVSKKNDSA-N	393.896	0.571	30	1	GCEF	
O=C1C2=C(C(=O)c3ccccc31)[C@@]1(CS2)NC(=O)[C@H](Cn2ccnc2)NC1=O	28604345	YGPZOTMVTMAZLS-HXPMCKFVSA-N	394.412	0.317	30	1	GCEF	
COc1ccc([C@]2(C#N)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1	963206657	QADLTUVNQLJBLI-TWOQFEAHSA-N	377.404	0.943	30	1	GCEF	
COC(=O)C[C@]1(O)C=C(C)C2=CC(=O)[C@]3(C)[C@H]4C(=O)O[C@@H]([C@@H]4C)[C@H](O)[C@H]3[C@]21C	2356635052	RDSBGXYBCRGDBG-ZLCYPXOESA-N	390.432	0.931	30	1	GCEF	
C=C(CO)[C@@H]1CC[C@]2(C)CC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356734238	ZMWRFLCUMHFFRS-NTKGYHAXSA-N	398.496	0.493	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@](C)(O)[C@H](O)[C@@H]1OC(=O)[C@H](C)[C@@H]1CC[C@@](C)(O)[C@@H]2O	2356399752	GHZVTIKGATYJRL-OMJNIOLJSA-N	398.452	0.060	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@H](C)[C@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356416972	MGXGYVFGGBQQIP-NOKMLUSISA-N	398.452	0.156	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H]1C[C@H]2[C@]2(C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]2[C@@H]3C(=O)O)C(=O)O1	2356525004	TUPQTEAXZZYYGA-DWAUYYAFSA-N	392.404	0.418	30	1	GCEF	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@H]1[C@@H]([C@H]3C(=O)O)[C@@](C)(C(=O)O)[C@@H](O)C[C@H]1C(=O)O	2356542936	BXVKWOYHHOIALN-SDBDULLQSA-N	394.420	0.967	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@]1(O)CC=C(C)[C@@H]21	2356594711	FYELXSMRGZZTNO-DYWWHBPLSA-N	376.405	0.564	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C	95727321	BBRSVMSGZNDGOR-XSWJXKHESA-N	396.509	0.407	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O	95913314	DOCCUZZGOVNQFS-YRJJVJJZSA-N	378.421	0.166	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2/C=C(\C)C[C@@H](O)/C=C(\C)C[C@@H](OC(=O)[C@@](O)(CO)[C@H](C)O)[C@@H]12	238752986	CSLDZLRWNOJBIW-WCQDJYQJSA-N	396.436	0.148	30	1	GCEF	
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(-c4ccc(OC)cc4)ncnc32)[C@@H]1O	1857772869	SZMZFPWOSYVXRK-ZFKCKOODSA-N	382.376	0.117	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@@H](C)CC)[C@H]12)O3	2356541879	PBHKMDBIOFKKFO-CVDGMOHJSA-N	396.436	0.593	30	1	GCEF	
C=C(CO)[C@H]1CC[C@@]2(C)CC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356734240	ZMWRFLCUMHFFRS-VMXORCFCSA-N	398.496	0.493	30	1	GCEF	
COCC#Cc1ccc([C@@H]2[C@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1	95874163	ZDFVZRKTEWGSHZ-FUDKSRODSA-N	399.535	0.997	30	1	GCEF	
C=C(CO)[C@@H]1[C@@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)[C@@H](O)CO)C[C@]1(C)C(=C)O	2356442102	OINUCGBMSBDZAV-HMDCPUHISA-N	394.420	0.552	30	1	GCEF	
COC[C@@]12[C@H]3C[C@@]45C(C)=CC(=O)[C@]6(O)[C@@](O)(C(=O)[C@H]1[C@]46C)[C@@]5(C)[C@@H]2CC(=O)O3	95909375	RSBGJWBXFGBAHB-ORNHATPOSA-N	388.416	0.171	30	1	GCEF	biogenic,in-vitro
CC(C=C[C@H]1C(C)=CC(=O)CC1(C)C)=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670082	ZQNWZSDLRNNPNH-ROMHJBHXSA-N	396.480	0.867	30	1	GCEF	
C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@@H](c1ccccc1)CN2	82210553	YKMDTQKFLPCSKK-CYBMUJFWSA-N	384.392	0.713	30	1	GCEF	
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	136747829	SXQQMCLQCSKJNC-WJVCUDDYSA-N	396.455	0.845	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC/C(C)=C\C)[C@@H]12)O3	238767351	QNXWVHCKGBQQSD-UVWALOCQSA-N	380.437	0.987	30	1	GCEF	
C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)C	95712336	ZAUQWYYYMXHWKM-BXWFABGCSA-N	388.512	0.776	30	1	GCEF	
CCC=CC#CC#CC=CCCC(=O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356397529	CUYRSJRSYKHJDN-VIYGXFRKSA-N	392.448	0.072	30	1	GCEF	
CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O	2356854749	RRXZAFPQNOZMTK-ZBRFXRBCSA-N	389.456	0.026	30	1	GCEF	
CCCC[C@H](CC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33818929	MFGGZOXRUQUDRB-YYFQZIEXSA-N	383.493	0.329	30	1	GCEF	
C=C1CC(=O)/C=C(/C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H]2C[C@H]([C@]3(C)CO3)[C@@H](O)[C@]1(O)O2	137154168	HSSPWYAJKLQQPG-HOPZEPDPSA-N	392.404	0.158	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H]([C@@H](OC(=O)CC(C)C)C[C@H]1O)[C@H](C)[C@H]2O	238739355	OKSQNWDMNROCEX-KVFIRELSSA-N	382.453	0.801	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	253693217	YOJOUEVWVFOYQS-OZKDKETASA-N	380.393	0.544	30	1	GCEF	
N#Cc1nc(Cl)cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12	587221527	VXFJZQBAIDHLFD-RQJHMYQMSA-N	394.775	0.307	30	1	GCEF	
CNC(=O)c1nc(N2CCC[C@H](N)C2)n(Cc2ccccc2C#N)c1C(=O)NC	14953959	LHRRHKGNJMJPKU-HNNXBMFYSA-N	395.467	0.450	30	1	GCEF	
COc1cc(O)c2c(c1)NC(=O)C[C@H](O)[C@H](O)C(=O)/C=C\[C@@H](C)[C@H](C)OC2=O	34374732	NLQIYBZZANXCBC-NMGOXEERSA-N	393.392	0.772	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@@]2(C)[C@@H]3[C@]4(O)C(=O)OC[C@]35[C@H](C[C@H]12)OC(=O)C[C@@H]5[C@@H]4C	169640793	XCAPDGKSNAMUQC-MOZFLVQNSA-N	376.405	0.374	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@](C)(F)CO3)C1=O	219498288	OISYCVGRZBHWPJ-UXHICEINSA-N	398.394	0.493	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H](O)C[C@@H](OC(=O)C(C)=CC)[C@H]1[C@@H](C)[C@H]2O	2356454456	MPPUQBHRJQOHGA-PKCHSYNYSA-N	380.437	0.721	30	1	GCEF	
C=C1C[C@H](O)[C@]2(O)[C@H](CC2(C)C)C(CO)=C[C@H](O)[C@H]1NC(=O)C=C(C)CCO	2356788804	CMJXRYDKHRUJLL-ZFHIRANCSA-N	395.496	0.178	30	1	GCEF	
COc1ccc(CC(=O)NCC(=O)N(O)CCCP(=O)(O)O)cc1OC	13644080	ZBZVXYVGRZDLSD-UHFFFAOYSA-N	390.329	0.148	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C)O2	95711024	RUTNGRJJPMAMRO-RKVPGOIHSA-N	375.469	0.861	30	1	GCEF	
CC=CC=C[C@]1(C)OC(=O)C(C(=O)C[C@H](C)OC[C@@H](O)[C@H](O)CO)=C1OC	2356407729	IVNYHQBSNJVKIG-JQZVDIJISA-N	384.425	0.413	30	1	GCEF	
CC(C)C[C@@H](C(=O)NO)C(=O)N[C@H](CC(=O)O)C(=O)NCc1ccccc1	27093810	JXOYCIWPPBHZCO-ZIAGYGMSSA-N	379.413	0.430	30	1	GCEF	
Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2sc(CC(=O)N3CCOCC3)nn12	5624786	YYFHRLAWSHOZLS-UHFFFAOYSA-N	399.432	0.213	30	3	GCEF	
O=C(NO)[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	13472414	BRHWEQKKXRPYNG-CYBMUJFWSA-N	379.354	0.006	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@](O)(CO)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@H]3CC[C@]12C	2356487457	BNJMIJOSRMZLDO-NSUSSCTHSA-N	380.437	0.963	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1CC(=O)[C@@H](C)[C@H]12	2356617796	RSMYKTKKFRLXQD-DVAHYJCLSA-N	376.405	0.708	30	1	GCEF	
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO	6499786	KUOSLPBZDWVFER-XFNMEUKGSA-N	378.421	0.666	30	1	GCEF	biogenic
C[C@]12C[C@@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO	299809619	SBTGISCCOLPWIT-MORFQLGQSA-N	396.455	0.700	30	1	GCEF	
C#CCNC(=O)[C@@H]1O[C@H](CCN2CCN(Cc3ccccc3)CC2)CC[C@@H]1O	2356301162	WNNKOFDXHKQZFB-PCCBWWKXSA-N	385.508	0.852	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@](C)(O)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12	2356390495	DYAHLLPCEAGRPJ-WVMITNOHSA-N	378.421	0.644	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(CO)=C1C[C@H](O)[C@](C)(O)[C@H]12	2356459206	CITDRWAOOHPFCD-JDFNMSKQSA-N	378.421	0.787	30	1	GCEF	
CC(=O)O[C@H]1CC[C@@H](C)O[C@]12CC1=C(CO2)C(=O)[C@@](C)(O)[C@H](O)[C@@H]1OC(C)=O	2356802124	RWODYNSLPQJZMF-LBUZBVFZSA-N	398.408	0.157	30	1	GCEF	
Cc1cc2c(cc1C(=O)N=C(N)N)S(=O)(=O)C[C@@]2(O)C(=O)c1ccccc1	27210790	LWFDFBCEKYABBN-SFHVURJKSA-N	387.417	0.266	30	1	GCEF	
CC/C=C/C#CC#C/C=C/CCC(=O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238784911	CUYRSJRSYKHJDN-IDXXMTGCSA-N	392.448	0.072	30	1	GCEF	
CCCC[C@H](CC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560205	MFGGZOXRUQUDRB-QTVXIADOSA-N	383.493	0.329	30	1	GCEF	
O=C(CN(C[C@H](O)CO)S(=O)(=O)c1ccc(-c2ccccc2)cc1)NO	43104425	OEHVKBKRRIUTOR-HNNXBMFYSA-N	380.422	0.203	30	1	GCEF	
CC(=O)OCC1=CC(=O)C(CCC2=CC(=O)C(COC(C)=O)=CC2=O)=CC1=O	44118331	DRHWOTIWTCLTTA-UHFFFAOYSA-N	386.356	0.902	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\C)C[C@H](OC(=O)/C(=C/CO)CO)[C@@H]12	238765681	RYQBYPMZWJPXAD-HYRNDGGGSA-N	378.421	0.956	30	1	GCEF	
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2[C@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	261494643	SEKYBDYVXDAYPY-BNUBIVBASA-N	376.449	0.528	30	1	GCEF	world
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)N2C[C@@H]3C[C@@]3(C#N)C2)C1	473240690	KITABLLENVFMQT-APNQJHFZSA-N	387.469	0.605	30	1	GCEF	
C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O	653738878	DOCCUZZGOVNQFS-FMTANWGISA-N	378.421	0.166	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@]21O	1857623062	NFHWFFQENCGSQZ-YRIGGZFGSA-N	376.405	0.801	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C(C(=O)OC)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]2[C@H]1O	2356288000	TZJBTNVBTFCJGF-OXVLVNDISA-N	392.404	0.984	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccc(O)cc1	28635388	VRFYYTLIPKHELT-GVDBMIGSSA-N	392.452	0.912	30	1	GCEF	
C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	85799959	LKLDZCIWUDJQCF-WLBSJYJPSA-N	394.420	0.967	30	1	GCEF	in-man
CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1O	2356854748	RRXZAFPQNOZMTK-SFFUCWETSA-N	389.456	0.026	30	1	GCEF	
CCCCCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	36272993	PDSBHJZSHBBMEC-XXHPDZBISA-N	389.456	0.732	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@H](O)[C@H]([C@H](C)C(=O)O)[C@H](OC(=O)C(=C)CO)C1	2356708884	GXAXDQKTBBMKOO-SBOZNWLOSA-N	398.408	0.099	30	1	GCEF	
CC(=O)C=C(O)C1=C(C)C[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C	2356733059	RNXIYUPSPXDHNB-QLGPGMLCSA-N	386.441	0.339	30	1	GCEF	
C=CCNC(=O)[C@H]1O[C@H](n2cnc3c(NC(CC)CC)ncnc32)[C@H](O)[C@@H]1O	48998046	VLURUACXSRDDGN-AHXJXLJNSA-N	390.444	0.348	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\CO)CC/C=C/1C)[C@H](O)CO	103549843	OCQTZSWITIFTEM-XZNNXLAVSA-N	378.421	0.954	30	1	GCEF	biogenic,in-vitro
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@@H]21)CO[C@@H]3O	2356589852	VPZCNCFYAPSUAL-MDFYUQKCSA-N	378.377	0.141	30	1	GCEF	
CN1C(=O)N(CCN2CCOCC2)C(=O)[C@H](C(=O)/C=C/c2ccccc2)[C@H]1N	100931671	NOYOXJRPFGSERH-YQJUVHNHSA-N	386.452	0.396	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@H]21)CO[C@H]3O	2356589853	VPZCNCFYAPSUAL-WGGAGSLSSA-N	378.377	0.141	30	1	GCEF	
O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168618	OYNSJUWCSSHNSB-OLZOCXBDSA-N	382.398	0.231	30	1	GCEF	
C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@]12[C@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@]3(O)O[C@H]2OC	101130656	UHERRNNNKBWWKU-FLHHMUHCSA-N	394.464	0.348	30	1	GCEF	
C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CCC1	205798305	BTFRIVLLGBFUKK-HXUWFJFHSA-N	398.394	0.515	30	1	GCEF	
C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2C1	238764029	ZMWRFLCUMHFFRS-GWVMINLOSA-N	398.496	0.493	30	1	GCEF	
N/C(=N\O)c1ccc(C(=O)CS(=O)(=O)c2ccc(/C(N)=N/O)cc2)cc1	64416905	ZLVIDFKNRLNTRT-UHFFFAOYSA-N	376.394	0.532	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@H](C)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238734964	BDYSVDKPQDAEPO-PJVRKEOFSA-N	384.469	0.088	30	1	GCEF	
CC(C=C[C@@H]1C(C)=CC[C@H](O)C1(C)C)=C[C@H](O)[C@]12O[C@@H]1[C@@H](O)C(CO)=C[C@@H]2O	2356747359	MFBZDUOKEXHQGD-CCEXSLNBSA-N	392.492	0.995	30	1	GCEF	
CCCOc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)NO)cc1	13472398	ZTRRJBUAKKLFOR-MRXNPFEDSA-N	392.437	0.886	30	1	GCEF	
O=C(NO)c1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1	26670948	XZLXJYHIADSFPG-UHFFFAOYSA-N	389.433	0.952	30	1	GCEF	
O=C(N[C@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1cnccn1	40764213	BQTDLIDFNQXFBQ-ZIAGYGMSSA-N	388.449	0.707	30	1	GCEF	
CC(C)C[C@H](NC(=O)NCc1cn(Cc2ccc(C#N)cc2)nn1)C(=O)NO	1857637477	PAGILNGIHQVRTH-INIZCTEOSA-N	385.428	0.917	30	1	GCEF	
CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@H](CO)[C@@H]12	2356407149	RBVQQTSGUPXDEI-ACLKOQORSA-N	398.408	0.301	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12	2356476649	MODAISDAHGURPG-KZNAEPCWSA-N	378.421	0.956	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@H]12	2356755484	PQMWCHJGFCQNRD-CEUHPVQQSA-N	376.405	0.899	30	1	GCEF	
Nc1nc(C#CCCC2CCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49785728	LIEDMTGTABXUMA-GABDYKALSA-N	387.440	0.342	30	1	GCEF	
CO[C@]1(C)CC[C@@H]2[C@@H]1[C@H](O)C1=C(C(=O)C3=C(C1=O)S(=O)(=O)CCN3)C2(C)C	205008275	NAEALGVIKXJZBZ-LVDCPYJLSA-N	395.477	0.496	30	1	GCEF	
C=C(C)[C@H]1CC[C@@]2(C1)C(C)=CC(=O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	2356488006	VKWPHWWPBMZQKB-PVDNIFSFSA-N	396.480	0.699	30	1	GCEF	
COC(=O)C[C@]1(O)C=C(C)C2=CC(=O)[C@]3(C)[C@H]4C(=O)O[C@@H]([C@@H]4C)[C@H](O)[C@H]3[C@@]21C	2356635047	RDSBGXYBCRGDBG-NRPBKVHUSA-N	390.432	0.931	30	1	GCEF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\C4CC4)C3=O)N1C[C@@H]1[C@H]2N1C	100997170	QTWCZIHYOXSAGZ-UEIKBGAKSA-N	388.424	0.325	30	1	GCEF	
CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N2/C1=N/C	102127980	ZFAVMBHTPBBQJO-ZTQLYMRYSA-N	398.463	0.725	30	3	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@]3(C)C[C@H](O)[C@]12F	254071306	SXQQMCLQCSKJNC-CPNUEBSUSA-N	396.455	0.845	30	3	GCEF	
C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](O)(C(=O)C[C@H](C)O)[C@@H](C)[C@H](O)C[C@H]12	40413331	CFNPAWULBAZKEI-JBDPGZPXSA-N	398.452	0.514	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC[C@H]2[C@H](O)[C@@]3(C)OC4=C(C(=O)O[C@@]42C[C@H]3CO)C1=O	2356335437	ZTMDLJADCRURSE-INPLAUNPSA-N	378.421	0.909	30	1	GCEF	
CNC(=S)N/N=C(C(=N/NC(=S)NC)\c1ccccn1)/c1ccccn1	1653430	ZKWAXXIOGSZGMU-JZTLMNBPSA-N	386.510	0.773	30	1	GCEF	
CCCCCCCCC(=O)O[C@H]1[C@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO	169344725	QNMGPXNSGVOYLM-VJUNAUMWSA-N	383.445	0.739	30	1	GCEF	
CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]23O[C@@H]2[C@H](O)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12	255261306	QOSNJOGSMDVGIL-PNXXDQMDSA-N	398.452	0.156	30	1	GCEF	
O=S(=O)(c1ccc(N/N=C/c2ccc(O)c(O)c2)nc1)N1CCOCC1	653796602	JKJUURVFQPSXBL-VCHYOVAHSA-N	378.410	0.960	30	1	GCEF	
CC1=C[C@@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]2(CO)C[C@@H]1OC(=O)CC(C)C)[C@@]31CO1	14692895	DDAUKBBLCGQHIP-MGPGDEMASA-N	382.453	0.551	30	1	GCEF	endogenous,in-man
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@H](C)N)cc21	49113244	CGJRAACGTIIYDY-JTQLQIEISA-N	385.428	0.932	30	1	GCEF	
CC(=O)OC[C@@]12[C@H](C=C(C)[C@@H](O)[C@H]1O)O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2	85849786	JSKXQQKSUOVSKS-PMSGBEGTSA-N	382.409	0.096	30	1	GCEF	in-man
C[C@H](O)[C@](C)(O)C(=O)O[C@@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@@]1(C)O	238772880	HZBXIEAITFVANO-UFNKRSLQSA-N	384.469	0.867	30	1	GCEF	
C=C1C(=O)OC2=C(C)CC3=CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(=CC)CO)[C@@H]12	2356782990	KRDOIFUKTCEIJK-CNVJLJKISA-N	390.388	0.847	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)CC(C)=C3C[C@H]12	139307691	FZNAAAXBFOLDKW-KEORNKDPSA-N	380.437	0.819	30	1	GCEF	
C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncn[nH]1	215747306	QACXGURETNEOBM-SFHVURJKSA-N	382.355	0.558	30	1	GCEF	
C=C1CC[C@@H](O)C(C)(C)[C@H]1/C=C/C(C)=C\[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O	238789665	GCFQOTAUBKKAQI-LAYKWLOLSA-N	392.492	0.995	30	1	GCEF	
CC1(C)[N+]([O-])=c2ccc(COc3ccc(/C=N/NC(N)=S)cc3)cc2=[N+]1[O-]	299840734	ZGOAFRNUECEGFZ-KEBDBYFISA-N	385.449	0.160	30	1	GCEF	
N#C[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1	653786002	LSDCDEFQKZXICW-AAEUAGOBSA-N	384.845	0.377	30	1	GCEF	
N#Cc1cc2c(n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCCC2	17259087	UKPICPQZFRGKQT-BQJWPVKWSA-N	380.466	0.721	30	1	GCEF	
CCCCCCC[S@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O	43781419	ZCEKSTLUIOWMST-LOUMIQRLSA-N	399.513	0.581	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	62234781	FQTLNSKVFLETSS-KUKCOQLESA-N	394.420	0.967	30	1	GCEF	in-man
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@@H](C)[C@@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356391060	IHWZOVIRSYMQAB-ZEIYVBEZSA-N	396.436	0.076	30	1	GCEF	
CN(C)CCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	40953601	OYPFAQIQTLGFMO-IBGZPJMESA-N	385.445	0.325	30	1	GCEF	
COC(=O)C[C@@]1(O)C=C(C)C2=CC(=O)[C@@]3(C)[C@H]4C(=O)O[C@H]([C@@H]4C)[C@H](O)[C@@H]3[C@]21C	95911455	RDSBGXYBCRGDBG-MIUUJZQSSA-N	390.432	0.931	30	1	GCEF	biogenic,in-vitro
COc1ccc(C(=O)/C=C/c2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)cc1	29397337	PYHUVBVVLUMGMF-IQCWDBRVSA-N	388.376	0.082	30	1	GCEF	
C=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(C)[C@H](O)CC=C(C)[C@H]2C1	2356430979	YCPOPAUEGHAQIJ-FGTFHBBTSA-N	398.496	0.493	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	5767505	FAQMCKSIBZGZIB-NMAPUUFXSA-N	380.393	0.304	30	1	GCEF	endogenous,in-man
COC(=N)[C@@]12C(N)=NC(OC)(OC)[C@@]1(C#N)[C@]21C(=O)N(c2ccccc2)N=C1C	139064566	YEPKROLUGXJIOG-BZSNNMDCSA-N	396.407	0.847	30	1	GCEF	
COc1ccc(-c2ccn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)c(=O)c2)cn1	84587467	ANBKKJCWFOAXEZ-QGZVFWFLSA-N	395.437	0.618	30	1	GCEF	
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccnc3)NC(=O)NC1=O)CC2	96173830	YERYUZRAJFJVJM-OAQYLSRUSA-N	390.399	0.718	30	1	GCEF	
C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\[C@@H]2OC(=O)[C@@]3(CO3)[C@@H]21	238751973	XPLDQUHNWMTPHP-VUCUGGGMSA-N	390.388	0.739	30	1	GCEF	
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](C=O)CCCCN)C(C)C	26021419	OTTJZKCAGFGFNW-YESZJQIVSA-N	384.521	0.491	30	1	GCEF	
C=CC[P@@](=O)(O)CNC(=O)[C@H](CC(C)C)NC(=O)CC[C@@H](N)C(=O)O	28567599	HVRHMPNTUFPRBF-NEPJUHHUSA-N	377.378	0.240	30	1	GCEF	
COC1=C(CC(C)C)C(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@@]1(O)[C@@H]3[C@H](CN21)[N@]3C	1857536293	XUNWXSGYDHBPMW-LNJYKGEOSA-N	391.424	0.165	30	1	GCEF	
CC(C=C[C@H]1C(C)=CC(=O)CC1(C)C)=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670080	ZQNWZSDLRNNPNH-HMGBVJPOSA-N	396.480	0.867	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@@H]3[C@H]([C@H](O)[C@H](O)[C@]4(C)O)[C@]2(C)C1=O	2356709468	FWRJMYHVRDNRRQ-KKBJVLMHSA-N	380.437	0.412	30	1	GCEF	
C=CCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1	28221915	ACYMAWBYIFEUAC-PBFPGSCMSA-N	389.433	0.707	30	1	GCEF	
COC1=C(CC(C)C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21	38150119	ZMNZPYROFBPXSP-HSVDZBDXSA-N	391.424	0.063	30	1	GCEF	
O=C(/C=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1	238765318	AFFCSQROTFZBBI-VKDGGWMYSA-N	386.400	0.761	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@@]4(C)O[C@H]4C)[C@@H]12)O3	523041387	LNRVVOBVXXPDNC-VZBXZUAGSA-N	394.420	0.752	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@]21O	2356533344	ADBOAFOIAMBXJT-CEVVZUMYSA-N	376.405	0.803	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H](O)[C@@](C)([C@H](C)O)OC(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]21	2356532695	UNYWYFFFHHQZSP-SNNZXYFZSA-N	380.393	0.576	30	1	GCEF	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCON=C(C)C)[C@@H]2SC1	29210300	SKVQSUDBJWHECH-WFASDCNBSA-N	399.425	0.091	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(C)\C=C/[C@H]3O[C@@]3(CO)C[C@@H](OC(=O)/C(=C\C)CO)[C@@H]12	238759038	WBZULALSEKFYIU-BLFOJUMLSA-N	376.405	0.971	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)C[C@@]1(CO1)[C@@H]1CC=C(C)[C@H]21	33843206	HUWHDSWKOJKFSR-YRIXDXPHSA-N	376.405	0.662	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1CC(=C)[C@H]2C[C@@H](O)C(=C)[C@H]2[C@@H]2OC(=O)[C@H](COC)[C@H]21	238739659	AKGWYUNNEJSHAZ-NYLIRDPKSA-N	378.421	0.764	30	1	GCEF	
CCOc1nc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(N)c1C#N	63298521	IYHNFVWLUSPIBF-UHFFFAOYSA-N	375.410	0.512	30	1	GCEF	
COCc1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3NC(=O)Nc2cccc(C#N)c2)nn1	2356855888	RUHCWEOGOHNWSF-VQHPVUNQSA-N	384.396	0.825	30	1	GCEF	
CCOC(=O)[C@H]1O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	31414274	RUQQPVXMOKJQCG-KYSZGLPYSA-N	387.432	0.877	30	1	GCEF	
CC=C(C)C(=O)O[C@H]1[C@@H]2[C@H](C=C(C)C3=CC(=O)[C@](C)(O3)[C@H]1O)OC(=O)[C@@]21CO1	2356287408	ILBSAWZDZCQMLZ-UBFQYYDPSA-N	390.388	0.738	30	1	GCEF	
C[C@H]1[C@H]2O[C@]2([C@H](C)CO)[C@@H](O)[C@@]23O[C@H]2C[C@H]2C4=C(CC[C@]25O[C@@]153)C(=O)OC4	2356627574	NFGOHYJHDNTTSQ-TXAJPZNLSA-N	376.405	0.076	30	1	GCEF	
C=C1CC(=O)C=C(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@H]2C[C@H]([C@@]3(C)CO3)[C@@H](O)[C@@]1(O)O2	2356655573	HSSPWYAJKLQQPG-AZCNCDIBSA-N	392.404	0.158	30	1	GCEF	
C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@H](C2=C[C@H]([C@@H](O)C(C)(C)O)OC2=O)[C@H]1CO	2356764501	MQIRKBSTEITVIF-UIGNGURZSA-N	382.453	0.453	30	1	GCEF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@H](NS(=O)(=O)N2CC[C@H](C#N)C2)C1	261176401	UYSGAWMQMRAGJH-JHJVBQTASA-N	375.458	0.605	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@]1(O)C[C@H](O)[C@@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@H]1OC3=O)[C@@H]42	2356401199	WNCXXTYZZHJBOB-JLHZELRKSA-N	378.421	0.120	30	1	GCEF	
CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(C)cc1)[C@H](CO)C(=O)NO)C(C)(C)C	13473800	KNCYWVRUUBOHGE-RRFJBIMHSA-N	379.457	0.469	30	1	GCEF	in-vivo
C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@]2(O)[C@H]2O[C@H]2C[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O	238761744	QHSCKUHYGHIDLV-WJNVTSDDSA-N	390.388	0.716	30	1	GCEF	
CC1=C(NCCCN2CCN(CCCN)CC2)C(=O)c2c(O)cccc2C1=O	27638454	LOGUPSSZMNTALP-UHFFFAOYSA-N	386.496	0.991	30	1	GCEF	
N/N=C1\C(=O)N(CCc2ccccc2)C(=O)[C@H]1C(=O)NCCc1ccccc1	102943550	SNIXUUSVOADQCO-KJCFGCQTSA-N	378.432	0.888	30	1	GCEF	
C[C@H](O)[C@](C)(O)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O	238781173	HZBXIEAITFVANO-LIHOWSEOSA-N	384.469	0.867	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)O[C@H]4O)[C@H]2O	2356840742	MUAOVIQJUITNMQ-RNXUGQGNSA-N	376.405	0.422	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2	38558357	FZALQGCQQJLGKE-LIGLGGLYSA-N	392.404	0.458	30	1	GCEF	biogenic,in-vitro
C=C(C)CN1C(=O)[C@H](O[S@@](=O)O)S/C1=N\N=C1/SCC(=O)N1C	87613167	FVJXDWPIXRCKOU-PPWHHGNLSA-N	378.457	0.450	30	1	GCEF	
CO[C@]1(C)CC[C@@H]2[C@@H]1[C@@H](O)C1=C(C(=O)C3=C(C1=O)S(=O)(=O)CCN3)C2(C)C	2356734044	NAEALGVIKXJZBZ-WGNWAHEMSA-N	395.477	0.496	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)CO4)[C@@H]12)O3	85690379	PUZOXMKYIJZDML-ICNHVWCASA-N	376.361	0.349	30	1	GCEF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]21CO1	2356516846	LWDKIUHKLIZGEF-WNTNUOBASA-N	376.405	0.661	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC(=NO)[C@H]2[C@H](O)[C@H]3OC4=C(C(=O)O[C@@]42C[C@@H]3C)C1=O	2356715183	FHTFDKWORXYZHH-QQPBHAHBSA-N	377.393	0.986	30	1	GCEF	
CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@H]2C1	95869543	MQRMNHBIWMSUQW-SBHAEUEKSA-N	398.507	0.689	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@H]1C[C@H](O)[C@H]2[C@]12[C@@H](OC)O[C@@H](O)[C@H]1C(C)(C)CC[C@H]2OC3=O	2356671674	HKFUVWBDJGPQNK-TVDAOBESSA-N	394.464	0.960	30	1	GCEF	
C=C[C@]1(CO)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO	2356698173	LLQFQSPYTBILCD-SAGLZJIZSA-N	378.421	0.668	30	1	GCEF	
CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	2356286211	AVZCSGMWWXMJEA-RNGAJSPLSA-N	396.480	0.843	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@H]2[C@H]2O[C@@H]21)C(=O)OC	195071219	DJQAYXQSWDXHIP-WQHCNRGZSA-N	393.436	0.576	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@@H](C)[C@@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356416969	MGXGYVFGGBQQIP-FUUAXTEJSA-N	398.452	0.156	30	1	GCEF	
C=C(OC)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@@H]21)CO[C@H]3O	2356616397	VRWCUUDDJCWFII-FPGLTXJFSA-N	378.377	0.753	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@]4(O)[C@H]3[C@@H]([C@@H](O)[C@@H](O)[C@H]4C)[C@]2(C)C1=O	2356488418	LXOOTOQKADUTAC-RXNUQDDOSA-N	380.437	0.412	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)[C@H](C)[C@@H]21)CO[C@H]3O	2356511670	GVDXNUSJGXJQEQ-BAPXJMEJSA-N	380.393	0.221	30	1	GCEF	
O=C(Nc1ccc2c(c1)CCN2)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	89209696	YDFKPYASAXCUNQ-YPMHNXCESA-N	382.398	0.596	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@H](CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	238741105	SNUZCOSRHAIVKC-OEWWJEBQSA-N	396.436	0.593	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(CO)C[C@@H](OC(=O)C(C)=CCO)[C@@H]12	2356507326	ZOPQKMWHSMFPHD-TVFCKZIOSA-N	378.421	0.954	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@@H]2C(=C)C(=O)O[C@H]2C=C(CO)CCC=C1C)[C@H](O)CO	2356773011	OCQTZSWITIFTEM-TVFCKZIOSA-N	378.421	0.954	30	1	GCEF	
N#Cc1cc2c(n([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCCC2	17259098	UKPICPQZFRGKQT-NRKLIOEPSA-N	380.466	0.721	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@@]1(C)[C@@H](O)C[C@@H](OC(=O)C(C)=CC)[C@H]1[C@@H](C)[C@H]2O	2356454457	MPPUQBHRJQOHGA-VNEQSEHESA-N	380.437	0.721	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)C[C@@H](C)O)[C@H]2OC(=O)[C@@H](C)CC	34495774	CFNPAWULBAZKEI-AGLKIGPTSA-N	398.452	0.514	30	1	GCEF	biogenic
CCCc1ccc(C#CC#Cc2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)cc1	84714645	QBRCFXFUUIVKIT-XUVXKRRUSA-N	394.427	0.533	30	1	GCEF	
Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](O)CO3)no1	219418400	MMRJVLFFIHRZNO-OXJNMPFZSA-N	394.387	0.953	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(CO)cc3[nH]2)cc1	586940499	UXVZEXASCQHCKQ-UHFFFAOYSA-N	399.432	0.522	30	1	GCEF	
C=C1[C@@H]2C[C@@H](O)[C@H]3[C@]45CO[C@@H]6O[C@@H](O)[C@](C)(CC[C@@H]4OC(=O)[C@]3(C2)[C@@H]1O)[C@@H]65	49792596	LFLODSREXVMKOC-PYDBRDJASA-N	378.421	0.324	30	1	GCEF	
C=C1C(=O)[C@@]23[C@@H]([C@@H](O)C[C@@H]1[C@H]2O)[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC	238775788	XHYABSFBWXRDOI-UGUQRHLISA-N	394.464	0.348	30	1	GCEF	
CC(=O)O[C@H]1[C@H]([C@H]2CN(C)CCN(C)C2=O)[C@H](O)C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C	169322657	RNVVNXKEZATVOL-MBSHIUBNSA-N	392.496	0.716	30	1	GCEF	
CN(C)C(=O)[C@](C)(O)C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2	215745980	VJSBIVNVMGEWDN-LJQANCHMSA-N	386.383	0.371	30	1	GCEF	
N#Cc1cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2cc1C#N	586935435	GWVICFGJARDTQN-UHFFFAOYSA-N	380.389	0.737	30	1	GCEF	
COc1ccc(S(=O)(=O)N2Cc3cc(O)c(O)cc3C[C@@H]2C(=O)NO)cc1	13472389	ARYFYNRCEHBMQQ-CQSZACIVSA-N	394.405	0.727	30	1	GCEF	
CCC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33836683	FOTHOLWACKDDPD-QRJUGERDSA-N	395.504	0.425	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	100265815	ZTDFZLVUIVPZDU-YMRPJUJJSA-N	378.421	0.954	30	1	GCEF	in-vitro
CC[C@H]1C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)C2=O	238753514	GUCAZZVOPNEPFJ-CUCGDYHCSA-N	383.441	0.060	30	1	GCEF	
C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12COC(=O)[C@@](C)([C@H](O)[C@H](O)C1)[C@@H]2[C@@H]3C(=O)O	257529993	RERZXVXKJOZXIL-BQUJZQKTSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
N#Cc1nc(Cl)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c12	587221526	VXFJZQBAIDHLFD-RNFRBKRXSA-N	394.775	0.307	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@@H](OC(=O)C(=CCO)CO)[C@@H]12	2356637118	HUSWYTADELXPIC-BRSBDYLESA-N	378.421	0.954	30	1	GCEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1	5833059	RPGHQCNKOXWXAX-SOUVJXGZSA-N	396.321	0.596	30	1	GCEF	
CNCc1cccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)c1	144623264	LKSGIIAFXARDKX-OLZOCXBDSA-N	384.414	0.348	30	1	GCEF	
CCC/N=C1\C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@@H]3[C@@]1(OC)[C@@H]2COC(N)=O	169296154	ZXNXZTQDXAZLPO-BYGNUGBKSA-N	376.413	0.230	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@]23O[C@H]2CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)CO[C@H]3O	238738182	VPZCNCFYAPSUAL-FIJKSOLZSA-N	378.377	0.141	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@]1(C)[C@H](OC(=O)C(=CC)CO)CC[C@@]3(CO3)[C@@H]21	2356665435	GYTQOYJFIYKHCR-KGNKMYHKSA-N	378.421	0.885	30	1	GCEF	
C=C1C(=O)O[C@H]2C=C(C)CC[C@@H](O)C(=C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12	2356533605	MATHKSWBRWHKPE-VSZNYVQBSA-N	378.421	0.954	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	101348955	ZIJMHFXHKCZCCK-HJNVTFSJSA-N	382.409	0.336	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3cccc(C#N)c3)[C@H]21	2356861926	UVESXFJWDAVMOD-XAJHFOFHSA-N	386.477	0.376	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C3=CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(=CC)CO)[C@H]12	2356644186	VZEOYVPTUSFQTE-DIYQJYNUSA-N	390.388	0.497	30	1	GCEF	
CC1=CC(=O)[C@@H]2[C@@H]3[C@@H](C(C)(C)O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@]2(C)[C@@H]13	2356784099	NGDDYINPHJUBKI-YUBDUZDWSA-N	396.480	0.389	30	1	GCEF	
O=C1C2=CC[C@H]3C(=O)N(Cc4ccc5c(c4)OCO5)C(=O)[C@@H]3[C@@H]2[C@H](O)[C@@H]2O[C@H]12	7998683	LRWRULJRKDIYGQ-BWCIEUAASA-N	383.356	0.174	30	1	GCEF	
C[C@]1(CO)CCC[C@]2(C)[C@@H]3C[C@]45O[C@@H]4[C@H](O)[C@]4(CO)O[C@@H]4[C@@]5(O)CC3=CC[C@@H]12	2356718256	OYLVOLOSQHRPLK-MZDPCSRSSA-N	392.492	0.905	30	1	GCEF	
C=C1C(=O)[C@@]23[C@@H](CC[C@@H]1[C@H]2O)[C@@]12[C@@H](OC)O[C@@]3(O)[C@@H](O)[C@@H]1C(C)(C)CC[C@H]2O	101130655	UHERRNNNKBWWKU-YEXLOTSISA-N	394.464	0.348	30	1	GCEF	
Cc1c(C(=O)N2CCN(CCC#N)CC2)cnn1-c1nc(=O)c2cccn2[nH]1	1857583552	MSDLIYYPQUGEQY-UHFFFAOYSA-N	380.412	0.188	30	1	GCEF	
COc1cc(C=NO[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)nc(-c2ccccn2)c1	2356324800	LKWAMLIBKNOJKX-PRNPZUBZSA-N	375.381	0.330	30	1	GCEF	
C=C(C)[C@@H]1C[C@@]2(C)C(=CC(=O)C[C@H]2C)C=C1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670178	COXRJHSETJGOOL-CETPWIOUSA-N	394.464	0.824	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC)cc3)[C@H]12	2356829580	JAAMKITYPPJPFC-JJTUDDRGSA-N	391.493	0.513	30	1	GCEF	
O=C1C=C2C[C@H](C(=O)O)N(C=CC3=CC(=C(O)O)N[C@H](C(=O)O)C3)C2=CC1=O	2356848667	PHGYRWDYJWBGFA-WCQYABFASA-N	388.332	0.279	30	1	GCEF	
COc1cc2c(cc1OC)[C@@]1(O)[C@@H]3N(C)CC[C@@]34O[C@H]4[C@H](OC)[C@H]1OC2=O	14454846	GAIZQRCFAUCISE-GBHAUCNQSA-N	377.393	0.301	30	1	GCEF	
C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@@H](O)[C@H](C(=C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C2	238763341	VFWBKWFDMSNXAX-WSVVRNJXSA-N	378.377	0.370	30	1	GCEF	
CCCCCCCC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	116817730	GNYFNLGMSBCRCL-XKLVTHTNSA-N	393.444	0.931	30	1	GCEF	
Nc1nc(C#CCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	26375853	DMSPOLNMPCSGKG-IULIOSHDSA-N	395.419	0.004	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@H]2[C@H]2O[C@@H]21)C(=O)OC	195075514	DJQAYXQSWDXHIP-JUXAEDKISA-N	393.436	0.576	30	1	GCEF	
CCCCC#Cc1nc(NCC)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	13475050	DCQKFEHUCAMISH-XKLVTHTNSA-N	375.429	0.411	30	1	GCEF	
CSCC[C@H](NC(=O)c1cccc(CNC(=O)[C@@H](N)CS)c1)C(=O)O	26577047	GHRUAXWYPNULNT-STQMWFEESA-N	385.511	0.496	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@](C)(O)C(C)=O)CC(=C)[C@@H]1C[C@H](O)C(=C)[C@H]12	2356475614	JYPDPWOSQFAAQH-MAHXWWMISA-N	376.405	0.849	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(CO)C[C@@H](OC(=O)C(C)=CCO)[C@H]12	2356507324	ZOPQKMWHSMFPHD-BRSBDYLESA-N	378.421	0.954	30	1	GCEF	
CCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@](O)(C(=O)c2ccccc2)[C@H]3O)o1	2356522601	MNZOUJCDZSUFOG-TYPHKJRUSA-N	397.383	0.973	30	1	GCEF	
C=CCn1c(=O)/c(=C\c2ccccn2)s/c1=C(\C#N)C(=O)NC[C@@H]1CCCO1	12653143	MVCQQIBVPQLXKK-WJKGBGFASA-N	396.472	0.289	30	1	GCEF	
C#CCO[C@@H]1C[C@H](n2cnc3c(=O)[nH]c(NC(=O)C(C)C)nc32)O[C@@H]1CO	13479028	MKGQZKXZWZMTPE-IJLUTSLNSA-N	375.385	0.012	30	3	GCEF	
CCCCCCCCO[C@@H]1C[C@H](O)[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)O1	49872438	HWUIXTOYWVNJQE-FXVDGXSLSA-N	378.462	0.295	30	1	GCEF	
N#Cc1nc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2nc1C#N	587274031	YDFCFVNZVKJMRA-RYUDHWBXSA-N	394.307	0.037	30	1	GCEF	
COc1ccc(S(=O)(=O)N2C[C@H](NOC(C)(C)C)C[C@@H]2C(=O)NO)cc1	13803467	AJUUQAWYLUYLDD-BXUZGUMPSA-N	387.458	0.652	30	1	GCEF	
N#Cc1nc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2nc1C#N	587135451	AYIJZXPTWIJGKS-UHFFFAOYSA-N	393.310	0.992	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	95732942	LUVAADAAXLMVKF-VKJFTORMSA-N	396.509	0.673	30	1	GCEF	
C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@@H](OC)[C@H](O)C2(C)C)C[C@@]3(C)O	1857634726	LVTNTYUMDOSYCN-DDUQKZNUSA-N	382.497	0.598	30	1	GCEF	
CO[C@]1(C)CC[C@@H]2[C@H]1[C@@H](O)C1=C(C(=O)C3=C(C1=O)S(=O)(=O)CCN3)C2(C)C	2356734043	NAEALGVIKXJZBZ-CUNBXBJESA-N	395.477	0.496	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]4(CO)CO4)[C@H]12)O3	2356837337	LJMOAYAQYBADNI-HSTIVOPISA-N	378.377	0.429	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c(CC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)O)nc2c1	587221591	WTCOXHSZGYZSCS-ZJUUUORDSA-N	393.787	0.392	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@@H]3[C@@](C2)(C(=O)O[C@@H]2CCC(C)(C)[C@@H]4[C@H](O)O[C@H](OC)[C@@]432)[C@@H]1O	2356671673	HKFUVWBDJGPQNK-RKROBEAVSA-N	394.464	0.960	30	1	GCEF	
C[C@@H]1C[C@](C)(O)C(=O)[C@@H]2O[C@@H]2[C@H]2[C@@H](O)[C@@]3(C)OC4=C(C(=O)O[C@]42C[C@H]3C)C1=O	2356680323	DEDOORYCHRBMCA-OMHKLDPPSA-N	392.404	0.038	30	1	GCEF	
C=CCn1c(=O)/c(=C\c2ccccn2)s/c1=C(/C#N)C(=O)NC[C@H]1CCCO1	5658307	MVCQQIBVPQLXKK-ONFOADBTSA-N	396.472	0.289	30	3	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](OC(C)=O)[C@H]3[C@](C)(O)[C@H](OC(C)=O)[C@H](O)[C@@H]12	238780611	NQLSOZXAYWLVJD-YIJFICNYSA-N	380.393	0.265	30	1	GCEF	biogenic
CC[C@@H]1CCCCN1C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29560106	UQZKUCCETSAJQQ-NIFZNCRKSA-N	381.477	0.035	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)C[C@@H]3[C@@H](C)[C@@]4(O)C(=O)OC[C@@]13[C@H]42	257618603	XCAPDGKSNAMUQC-FQLXXZSKSA-N	376.405	0.374	30	1	GCEF	
C#CCO[C@@H]1CCN2C(=O)[C@@H]3[C@H](NC(=O)c4ccc(OC)cc4)CCN3C(=O)[C@H]12	2356316566	XEEGJCQKVFZYQP-BDXSIMOUSA-N	397.431	0.027	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]3C(C)=CC[C@H](O)[C@@]3(C)[C@@H](O)[C@@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12	2356744212	LPBXWOZPMYGXRR-UBLJZEDESA-N	378.421	0.881	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)CO)[C@H](O)C(=C)[C@@H]1[C@@H](O)C=C(C)[C@H]21	2356539967	HWMRAVUGIAMNQB-RJGWXTLFSA-N	376.405	0.419	30	1	GCEF	
C=C[C@@H]1[C@H](C)[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO	2356628319	OPEDAEVRMIIPOS-RJASUBJBSA-N	378.421	0.522	30	1	GCEF	
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=N/C3CCCCC3)N21	104188716	YEHCQLQJBSBARB-BTCVNVCGSA-N	390.484	0.858	30	3	GCEF	
C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](CC(=O)CC(=O)c2ccoc2)[C@H](O)[C@@H]1O	29552534	KPAPPGRSZVKDJC-PTHPGSLXSA-N	396.436	0.723	30	1	GCEF	
N#Cc1nc(C(=O)NCC(=O)O)c(O)c2c1N(Cc1ccccc1)C(=O)CC2	169710897	BVQDKTPHRASCEM-UHFFFAOYSA-N	380.360	0.953	30	1	GCEF	
COC1(OC)C[C@H](C)[C@@]23O[C@@]24C2=CC(=O)C=CC2=N[C@H]3C#CC=CC#C[C@@]14O	1857627044	OAGMOQFBOHDCHJ-UHWULVJNSA-N	377.396	0.719	30	1	GCEF	
C=C[C@@H]1[C@H](C)[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]1C(=C)CO	2356628318	OPEDAEVRMIIPOS-LQOUPOGRSA-N	378.421	0.522	30	1	GCEF	
CCC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@@H](O)[C@H]1O	49802996	MBXWXPUSFDNWKE-AXVVYFOYSA-N	393.403	0.407	30	1	GCEF	
C=C1[C@@H]2C[C@@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2OC[C@]4(C)CC[C@H](O)[C@@]32[C@@H]4C=O)[C@@H]1O	238764785	YSDDLDRLPGAKFP-KSTJQCCOSA-N	378.421	0.166	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@]12CC[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	253638491	RUQQPVXMOKJQCG-NKKZYEQXSA-N	387.432	0.877	30	1	GCEF	
CC=CC=C[C@]1(C)OC(=O)C(C(=O)C[C@H](C)OC[C@H](O)[C@@H](O)CO)=C1OC	2356407731	IVNYHQBSNJVKIG-XPVILTJLSA-N	384.425	0.413	30	1	GCEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1C(F)(C(F)(F)F)C(F)(F)F	5836126	DNUPNICBYLLDJY-ACZMJKKPSA-N	396.215	0.467	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	103558311	ZOPQKMWHSMFPHD-FXGGTFFUSA-N	378.421	0.954	30	1	GCEF	biogenic,in-vitro
CC1=C[C@@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@H]1OC(=O)CC(C)C)[C@@]31CO1	14692889	DDAUKBBLCGQHIP-MKUKFTDBSA-N	382.453	0.551	30	1	GCEF	endogenous,in-man
CC(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169373291	ZIJMHFXHKCZCCK-UNNTXNDQSA-N	382.409	0.336	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)CO)C[C@@]1(C)[C@@H]2[C@H](C=O)CC[C@H]1O	2356598215	JAMSYNVVOFKKIY-YPGIJBAISA-N	378.421	0.931	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	2356761243	RANGFOQREJPKIH-BCUUHHEESA-N	380.393	0.304	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@](C)(O)[C@H](C)O)C[C@@]1(C)[C@@H]2[C@H](C)CC[C@H]1O	2356787843	VUBMWJMJRVICBE-ZVVGZHCSSA-N	382.453	0.945	30	1	GCEF	
CCOC(=O)[C@@]1(C#N)[C@]2(C#N)C(N)=NC(ON=C(C)C)(ON=C(C)C)[C@]12C#N	5924119	LEVOJUHEUBDOIW-JYJNAYRXSA-N	385.384	0.942	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1	95795889	GZUVWCYBIDXRNG-VWPQPMDRSA-N	375.428	0.999	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@]1(O)O[C@@H]3OC	138655467	NUYJBFSDWBBTBE-IBHBDCDISA-N	394.464	0.960	30	1	GCEF	
O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3ccc(C#CCO)cc3)N2C(=O)[C@@H]2CCCN12	963215556	BEAUDLNEWMDLEO-JENIJYKNSA-N	376.416	0.601	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H]1O[C@@](C)(CCC(=O)[C@@]1(C)O)[C@@H]2O	2356613689	UTMNEQUXFHWOKE-HBXSUUKJSA-N	394.420	0.595	30	1	GCEF	
N=C(N)NCCCCNC(=O)C1=NO[C@]2(C=CC(=O)C(Br)=C2)C1	2356797730	OJJBFZYTZACRNA-AWEZNQCLSA-N	384.234	0.299	30	1	GCEF	
Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12	5624773	PFSMBPNVOZIFIQ-UHFFFAOYSA-N	383.433	0.977	30	3	GCEF	
NC(N)=N/C=C/c1ccc2c(c1)O[C@@H](N=C(N)N)[C@@H](c1ccc(O)c(O)c1)O2	143674313	POJHWMYSBBRFBZ-DOOVEFGSSA-N	384.396	0.454	30	1	GCEF	
COC[C@@H]1C(=O)[C@]23C[C@H]1CC[C@H]2[C@@]1(CO)[C@H](C[C@H](O)C(C)(C)[C@@H]1C=O)OC3=O	238768574	QPEQEZCPFMGPAC-HIXZIWCUSA-N	394.464	0.744	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@H]2[C@]3(C)O[C@@H]3[C@@H]3OC(=O)[C@H](CO)[C@@H]3[C@H](O)[C@]23O[C@@]13C	2356465647	CEWJOPKSFGXYQJ-LVWYSQOLSA-N	394.420	0.094	30	1	GCEF	
C=C(C)[C@@H]1CC(=O)C[C@H]2O[C@@](C)(CC2=O)C[C@H](O)[C@@H]2O[C@@]2(C(=O)OC)[C@H](O)C1	2356765058	LQKBZDWBXWSEMX-VKCDEGGJSA-N	396.436	0.471	30	1	GCEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1	17215705	RPGHQCNKOXWXAX-ZNMIVQPWSA-N	396.321	0.596	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(\CO)[C@H]3O[C@H]3[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]12	31960587	TZMBEJAHWVHDNJ-VGYMCPCESA-N	392.404	0.182	30	1	GCEF	
CN(C)CCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	40953603	OYPFAQIQTLGFMO-LJQANCHMSA-N	385.445	0.325	30	1	GCEF	
NC(=S)N/N=C1/C[C@H](n2nnnc2-c2ccccc2Cl)[C@@H]2CO[C@@H]1O2	100520878	YBDDQEKCHZFQOA-OVFSHCJGSA-N	379.833	0.869	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@@H](CC[C@H]2O)[C@@H](O)O[C@H]3[C@@H]1C(=C)C(=O)OC	165569228	XMGJMAXQRQINRK-DUKGFYTGSA-N	396.436	0.306	30	1	GCEF	
C=C1[C@H](O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@]12[C@@H](OC)O[C@@]3(O)[C@H](O)[C@H]1C(C)(C)CC[C@H]2O	255219483	IGWYEXHQPGSZHK-CBUOEZGDSA-N	396.480	0.140	30	1	GCEF	
CC(C)(C)c1nnc(NN/C=C2\C=C(Br)C=CC2=O)n(N)c1=O	13120144	FFUBQFDYQIPZND-BQYQJAHWSA-N	381.234	0.868	30	3	GCEF	
O=C(COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1)NO	29471224	PRPRMHWOAFLLTG-HNNXBMFYSA-N	376.409	0.979	30	1	GCEF	
C=C[C@]1(CO)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)CO	2356698170	LLQFQSPYTBILCD-DRCYAFTPSA-N	378.421	0.668	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC(=NO)[C@H]2[C@@H](O)[C@H]3OC4=C(C(=O)O[C@@]42C[C@H]3C)C1=O	2356715181	FHTFDKWORXYZHH-DHOQCQSASA-N	377.393	0.986	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]2C	14450236	AVZCSGMWWXMJEA-HNPFASLLSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
CCCCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	43278924	OIMMRHBOIMZDAG-WHTWZSQMSA-N	375.429	0.342	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)C1=O	219466154	LCQFWABXVYPPQW-BUXKBTBVSA-N	399.428	0.280	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H](C)[C@]3(C)[C@H](O)C[C@H](O)[C@]3(C)[C@H](OC(C)=O)[C@@H]12	2356427159	QVPZCCBUSKOYDY-AOTJFDEMSA-N	396.436	0.735	30	1	GCEF	
CC(=O)O[C@]1(C)C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@H]4C)[C@H]23	2356673901	RBCAOQGTCQIAIE-XBACDKAGSA-N	393.436	0.975	30	1	GCEF	
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#C[C@H](CO)NCCO)c21	14947111	LICPCHXULHJNTF-XTCQQWIJSA-N	385.395	0.949	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)C[C@@H](C)O)[C@H]2OC(=O)[C@H](C)CC	34495773	CFNPAWULBAZKEI-INQNUPMQSA-N	398.452	0.514	30	1	GCEF	biogenic
COc1ccc([C@@H]2[C@@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1OC	103131028	YJWAFVAWZVQNAA-LDYMZIIASA-N	395.422	0.389	30	1	GCEF	
C=C1C[C@H](O)[C@H]2[C@H](CN[C@H](C(=O)O)C(C)C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12	40874054	NNBPMFMHJCFBIS-WLEINZGESA-N	379.453	0.717	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	169372769	RNXXTXZMLODQHB-PPBZOUFVSA-N	398.496	0.922	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@@H]12	238782841	ZDNNJCOUNKNSGH-NVXPTTAPSA-N	376.405	0.659	30	1	GCEF	biogenic
COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](O)C=CC[C@@H](C)OC2=O	2356487068	NWBBODCXRAHUEM-KGTNFSLWSA-N	380.393	0.819	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@H](O)[C@@]3(CO3)[C@@H]21	2356506914	RWDWCHAZOMBQBT-GKSWBSDJSA-N	376.405	0.659	30	1	GCEF	
O=C[C@H](CC(=O)O)NC(=O)Cn1cccc(NC(=O)CCc2ccccc2)c1=O	26281163	KCTYTWXJHCZHSS-HNNXBMFYSA-N	399.403	0.578	30	1	GCEF	
C=CCc1c(O)n(Cc2ccccc2)c2nc3c(c(=O)n(C)c(=O)n3C)n2c1=O	34090845	REJNQCFXPWPCPK-UHFFFAOYSA-N	393.403	0.529	30	1	GCEF	
C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)N1CCC1	205798325	BTFRIVLLGBFUKK-FQEVSTJZSA-N	398.394	0.515	30	1	GCEF	
C=C(C)[C@@H]1CC[C@@]2(C)[C@H](O)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(=C)[C@@H]2C1	238762109	VGMXDSYTGIFDBM-OADARFEMSA-N	398.496	0.491	30	1	GCEF	
C=C[C@]1(C)[C@H](OC(=O)C(=C)[C@H](O)CO)C[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO	2356360196	ZXYASCOGVKCEDD-OLPWTBESSA-N	378.421	0.666	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@H](O)[C@@]3(CO3)[C@H]21	2356506913	RWDWCHAZOMBQBT-BYJGPTFXSA-N	376.405	0.659	30	1	GCEF	
C[C@H]1[C@H]2O[C@]2([C@H](C)CO)[C@H](O)[C@@]23O[C@H]2C[C@H]2C4=C(CC[C@]25O[C@@]153)C(=O)OC4	2356627572	NFGOHYJHDNTTSQ-JNXFAGHBSA-N	376.405	0.076	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@@H]12	238732550	ZDNNJCOUNKNSGH-HFQDAWPGSA-N	376.405	0.659	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@]1(C)[C@H](O)C[C@H](O)[C@@]1(C)[C@H](C)[C@H]2OC(C)=O	238750390	QVPZCCBUSKOYDY-MQUYPEIUSA-N	396.436	0.735	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H](CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@H]12)O3	100776755	SNUZCOSRHAIVKC-UPSLTSPZSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
COc1cc2c(cc1OC)[C@]1(OC2=O)[C@H](O)[C@@H](OC)[C@@H]2O[C@@]23CCN(C)[C@H]31	169650584	ICRGIRKQLKQVJZ-ZOLWUENMSA-N	377.393	0.301	30	1	GCEF	
CC[C@@H]1C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@](C)(O)[C@H](C)[C@H]1O)C2=O	238781350	GUCAZZVOPNEPFJ-AQQJZDITSA-N	383.441	0.060	30	1	GCEF	
C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@]12C[C@H](c1ccoc1)OC2=O	2356629220	VYKKARPJZXXUQF-JZNKHXCBSA-N	390.388	0.716	30	1	GCEF	
CO[C@]12Oc3c(cc(C=NO)nc3-c3ccccn3)O[C@@H]1O[C@H](C)[C@H](O)[C@@H]2O	2356791902	JCQWAYDGTXYFMH-MSALCMTLSA-N	389.364	0.532	30	1	GCEF	
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1C[C@H](O)[C@@]2(O)C(=O)CO	95618799	SEKYBDYVXDAYPY-YDVHHMMYSA-N	376.449	0.528	30	1	GCEF	world
CCCC[C@@H](CC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560204	MFGGZOXRUQUDRB-MRLBHPIUSA-N	383.493	0.329	30	1	GCEF	
C=CCO[C@@H]1CCN2C(=O)[C@@H]3CN(C(=O)c4ccc(OC)cc4)CCN3C(=O)[C@H]12	2356858216	SXKOUHKPTGEEKB-KSZLIROESA-N	399.447	0.534	30	1	GCEF	
CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)CF)cc1-2	219503822	KUXHJIZWSSMSIU-LJQANCHMSA-N	386.383	0.473	30	1	GCEF	
CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@H](C)C(=O)N4CC(C#N)C4)c3n2)cn1	96258710	VFFSAQXTKFQKMB-LLVKDONJSA-N	392.423	0.942	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@@H]2[C@H]2O[C@H]21)C(=O)OC	101132608	DJQAYXQSWDXHIP-WFLHHYRESA-N	393.436	0.576	30	1	GCEF	
CC(=O)O[C@@H]1C[C@]23[C@H](O)[C@]4(CO4)[C@@H]1C[C@H]2[C@@]12[C@@H](O)CC[C@@]4(C)CN[C@H]1[C@@H]3C[C@@H]42	2356711834	BVGZGEVHAANCGX-JGELCYEVSA-N	389.492	0.843	30	1	GCEF	
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC=O	13437601	XINICLVCHOJSEW-CVEARBPZSA-N	377.441	0.587	30	1	GCEF	
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)[C@H](OC(C)=O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1	100257214	UROCTWOJYLMRHO-SCVDCXHFSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=CCN(C)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCCN1CCOCC1	2356753447	XNMURRMCLHSVNN-FHWLQOOXSA-N	395.617	0.611	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@@H]2[C@H](C=C(C)C3=CC(=O)[C@](C)(O3)[C@H]1O)OC(=O)[C@@]21CO1	2356760875	SCYULBYWDDKXSN-PDHPZOLYSA-N	376.361	0.348	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)CO4)[C@@H]12)O3	238782889	PUZOXMKYIJZDML-FQFNPJCSSA-N	376.361	0.349	30	1	GCEF	
COc1ccc([C@@]2(C#N)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1	963206652	QADLTUVNQLJBLI-FTRWYGJKSA-N	377.404	0.943	30	1	GCEF	
CC(=O)O[C@]1(C)C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@@H]23	2356673900	RBCAOQGTCQIAIE-RBYIIDSCSA-N	393.436	0.975	30	1	GCEF	
CNC(=O)[C@@H](NC(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO)C(C)(C)C	13473801	IOLRUMINDIUCLJ-RRFJBIMHSA-N	395.456	0.170	30	1	GCEF	in-vivo
CCNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	13475053	OVWITDYOKXEQLX-AEVYOOLXSA-N	395.419	0.269	30	1	GCEF	
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCCO)CC(=O)NO	13741984	HCELOWJRPJWTPO-CVEARBPZSA-N	379.457	0.524	30	1	GCEF	
CC1=CC(=O)[C@@H](O)[C@]2(C)[C@@H]3C(=O)[C@@H](O)[C@@H](C)[C@@H]4CC(=O)O[C@H](C[C@H]12)[C@@]43CO	27751473	BOQRDFOSFFKHHP-PBFWLOHZSA-N	378.421	0.009	30	1	GCEF	
CCC(=O)[C@@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@@H](O)[C@@H]1O	49802999	MBXWXPUSFDNWKE-OGNFBWPZSA-N	393.403	0.407	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@H]2C1	95795887	GZUVWCYBIDXRNG-SJBKTWHCSA-N	375.428	0.999	30	1	GCEF	
COC1=C(CO)[C@@H]2CC(=O)O[C@@H]3C[C@H]4CC[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C	1857566129	UKVHEBKUBZOGBC-OJNCIZPQSA-N	378.421	0.766	30	1	GCEF	
C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@@H](C)C(=O)C[C@@H]12	1857630431	RSMYKTKKFRLXQD-RHZIFZKOSA-N	376.405	0.708	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12	523041522	JAMSYNVVOFKKIY-FRAXHVOESA-N	378.421	0.931	30	1	GCEF	biogenic
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H]([C@@H](C)C(=O)O)[C@H](OC(=O)C(=C)CO)C2	2356553542	DXPZBIQCCNPZKD-HFNSESNSSA-N	380.393	0.450	30	1	GCEF	
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CC(C(=O)O)C3)cc12	14960812	VRZHMXKNAYJAJH-UHFFFAOYSA-N	383.817	0.498	30	1	GCEF	
COc1c2c(cc3oc([C@H](O)CCN=C(N)N)cc(=O)c13)O[C@H](C(C)(C)O)C2	85594505	ROQYMKZRAFQPBX-BMIGLBTASA-N	391.424	0.573	30	1	GCEF	biogenic,in-vitro
N#C[C@@H]1C[C@H](F)CN1C(=O)CN[C@H]1[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]21	101180779	CCAHGNFSCCVYCY-QHUBEEEXSA-N	398.364	0.982	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@H]21	2356497092	ZDNNJCOUNKNSGH-DULLKXICSA-N	376.405	0.659	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O	219487130	JPNYVAOUEXCOSB-IBGZPJMESA-N	384.367	0.125	30	1	GCEF	
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)CO)CC1	222097568	JOGKUCKFWMUUPZ-UHFFFAOYSA-N	382.424	0.949	30	1	GCEF	
CCOC(=O)[C@H]1O[C@@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	195137653	RUQQPVXMOKJQCG-RWMKOVQRSA-N	387.432	0.877	30	1	GCEF	
C[C@](O)(C#Cc1cc(-n2ccc3c[nH]c(=N)nc32)ccn1)C(=O)N1CCCC1	1857610522	XFQIPYSYVGZULQ-FQEVSTJZSA-N	376.420	0.953	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(CO1)[C@H]1CC=C(C)[C@H]21	2356762206	HUWHDSWKOJKFSR-NELCAIQGSA-N	376.405	0.662	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@@](C)(CO)C[C@@H]21	2356791714	IXDCDHNDDADZSP-RICCDJSHSA-N	392.448	0.988	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccc(C#N)cc3[nH]2)cc1	586939602	BIVWRTCTGFPKHU-UHFFFAOYSA-N	394.416	0.901	30	1	GCEF	
CC(C)C[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NO	29328087	SPHJNGSYONHROL-CQSZACIVSA-N	394.428	0.065	30	1	GCEF	
CCS(=O)(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CC4CC4)cc3)[C@@H]2C1	95797500	IARDCQPZJHUTTL-CMKODMSKSA-N	388.489	0.769	30	1	GCEF	
CC(=O)C1=C(O)C=C2O[C@]34O[C@]3(C(C)=O)C(O)=C(C)C(=O)[C@@]4(O)[C@@]2(C)C1=O	621430867	CCGMYIMQBASKSA-TVFCKZIOSA-N	376.317	0.091	30	1	GCEF	
O=C(N[C@H]1CCCN2CC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1	26178097	HPLIOAAHFNYSEA-KKUMJFAQSA-N	377.466	0.709	30	1	GCEF	
C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	29134112	KCJQFSPRHCELGR-OFHBECOOSA-N	380.437	0.865	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@H]1[C@@H](O)[C@H](C(=C)C(=O)OC)[C@@H](OC(=O)C(=C)CO)C2	43510021	FZALQGCQQJLGKE-MRNSRZSKSA-N	392.404	0.458	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	1857623061	NFHWFFQENCGSQZ-RMVYBZJPSA-N	376.405	0.801	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1	95795888	GZUVWCYBIDXRNG-TUNNFDKTSA-N	375.428	0.999	30	1	GCEF	
C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	2356488004	VKWPHWWPBMZQKB-JOCJLNAJSA-N	396.480	0.699	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2nc(C(F)(F)F)nc2C1	40915463	KUXNBUCQZYEEAI-QWRGUYRKSA-N	399.377	0.261	30	1	GCEF	
COC(=O)CCOC(=O)[C@H](C)/N=C/C=C/N[C@@H](C)C(=O)OCCC(=O)OC	45352681	SGDQUPOFRRIRNK-GLHJBIDCSA-N	386.401	0.150	30	1	GCEF	
C=C1C=C(C)[C@H]([C@@H](O)C[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)C1	2356422922	YFGZJFBYIYYGAI-NGWHVPJMSA-N	386.485	0.491	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C(=O)O[C@H](C)[C@](C)(O)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356778987	ISIOGBQKYACMTR-YHEOXHNVSA-N	394.420	0.966	30	1	GCEF	
N#Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc2c(c1)CC2	1857756668	PHWCVZCLJNTHBQ-BDHVOXNPSA-N	381.428	0.763	30	1	GCEF	
C=C1C(=O)[C@@]23[C@H](O)[C@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC	2356483778	XHYABSFBWXRDOI-PXXUYMGISA-N	394.464	0.348	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@]1(O)CC=C(C)[C@H]21	2356594713	FYELXSMRGZZTNO-JZBZHOAESA-N	376.405	0.564	30	1	GCEF	
C=C[C@]1(CO)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)CO	2356698172	LLQFQSPYTBILCD-RXBWTVHKSA-N	378.421	0.668	30	1	GCEF	
CCCC[C@H](CC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29554154	MFGGZOXRUQUDRB-CAEXGNQWSA-N	383.493	0.329	30	1	GCEF	
C[C@@H](O)[C@@](C)(O)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)O)=C[C@H]2[C@]1(C)O	238747145	HZBXIEAITFVANO-NISKBURESA-N	384.469	0.867	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H]4OC[C@](C)([C@@H](O)C[C@@H]1OC3=O)[C@@H]42	238747252	CORVIGTUSONGEO-FWYYDOJKSA-N	376.405	0.184	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@@H](OC(=O)C(=C)CO)C1	2356628262	MSWZYJMTCURMLM-NMHRLERGSA-N	380.393	0.579	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@@]1(O)O[C@@H]3OC	238746768	NUYJBFSDWBBTBE-RFDMKKSSSA-N	394.464	0.960	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@]3(CO3)[C@H]21	2356287410	ILBSAWZDZCQMLZ-ZRHPZAPZSA-N	390.388	0.738	30	1	GCEF	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1ccsc1	29550661	INYTUGGDZCKECJ-KBPBESRZSA-N	377.491	0.989	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@H](O)[C@H]3O[C@@]3(C)[C@]21O	31671904	NFHWFFQENCGSQZ-MBCXXKBSSA-N	376.405	0.801	30	1	GCEF	
CC(=O)O[C@H]1C[C@@]2(CO)[C@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2	34096937	UROCTWOJYLMRHO-ZXHZLALASA-N	382.409	0.096	30	1	GCEF	in-man
CCC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O	96900495	MBXWXPUSFDNWKE-TVKQPGBESA-N	393.403	0.407	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC(=O)[C@](C)(O)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356379951	MEMMEVBUUCPXSU-VZXXYCNRSA-N	394.420	0.354	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)C(=C)[C@@H]1[C@@H](O)C=C(C)[C@]21O	2356510143	ONMIIVSKCOOGNN-SNCRXCSTSA-N	376.405	0.561	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@H](O)[C@]1(C)[C@H](O)CC=C(C)[C@@H]21	2356744211	LPBXWOZPMYGXRR-IEWPVZQISA-N	378.421	0.881	30	1	GCEF	
C=C1C[C@@]23C[C@@]4(O)[C@H]5[C@]6(C)CN4[C@H]4[C@H]2[C@H](OC(C)=O)[C@H]1[C@@H](O)[C@H]3[C@@]45CC[C@H]6O	2356782861	KLDNQFXMBMDPMZ-ICRZSBHUSA-N	387.476	0.655	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3C(=C(CO)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)C[C@H](O)[C@]3(C)O	40872924	CITDRWAOOHPFCD-XFTYBKLESA-N	378.421	0.787	30	1	GCEF	
Cn1c(-n2[nH]c3c(c2=O)C(=O)CC(=O)O3)nc(-c2ccccc2)c(C#N)c1=O	103136809	WJTABARKGSXEHG-UHFFFAOYSA-N	377.316	0.290	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3	254145259	LJFIVFJQZWRSAJ-LVGUQXSBSA-N	394.420	0.513	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@@]3(CO3)C[C@@H](OC(=O)CC(C)C)[C@@H]12	523041516	IOOQCLHIPYJBMO-PZLJSPQTSA-N	378.421	0.979	30	1	GCEF	biogenic
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@@H](OC=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	40496377	AEPKEGZWKSHFOR-SIJUNNIXSA-N	382.453	0.740	30	1	GCEF	
CCOC(=O)[C@]1(C#N)[C@@]2(C#N)C(ON=C(C)C)(ON=C(C)C)N=C(N)[C@]12C#N	102950046	LEVOJUHEUBDOIW-PMPSAXMXSA-N	385.384	0.942	30	1	GCEF	
C=C(CO)[C@@H]1[C@H]2OC(=O)C(=C)[C@@H]2[C@@H](OC(=O)C(=C)[C@@H](O)CO)C[C@]1(C)C(=C)O	238773460	OINUCGBMSBDZAV-XFNMEUKGSA-N	394.420	0.552	30	1	GCEF	
C[S@@+](CCCOc1ccccc1)CC(O)(P(=O)(O)O)P(=O)(O)O	28862345	UGVYRAGFCCZORE-HSZRJFAPSA-O	387.307	0.705	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@@H]2[C@@H]2O[C@H]21)C(=O)OC	101132637	DJQAYXQSWDXHIP-MYCHGPFCSA-N	393.436	0.576	30	1	GCEF	
Cc1nc([C@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)n[nH]1	219458754	UECRYHYXEPHFDD-LJQANCHMSA-N	396.382	0.866	30	1	GCEF	
CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@]23O[C@H]2C[C@](C)(O)[C@]3(O)[C@H]2OC(=O)[C@@H](C)[C@H]12	238757607	JOBAOHFOADHRSC-UATQIPCHSA-N	398.452	0.300	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@@]1(O)CC[C@@H](C)O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238775643	BHXJSTODGQOUCK-IUZKZEOGSA-N	386.485	0.312	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12COC(=O)[C@](C)([C@@H](O)[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O	85800081	RERZXVXKJOZXIL-JAOWMHBPSA-N	378.421	0.325	30	1	GCEF	in-man
CCOC(=O)[C@@H]1O[C@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	195054921	RUQQPVXMOKJQCG-UVHVQKIOSA-N	387.432	0.877	30	1	GCEF	
CN1CCC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1=O	215746618	GRFKWCCCJKSZAX-HXUWFJFHSA-N	380.404	0.376	30	1	GCEF	
CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2ccccc2C(=O)O)c1=O	1857591254	KHLOLWFTVYQPED-MRXNPFEDSA-N	396.447	0.707	30	1	GCEF	
CC1=C2C(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@@](C)(O)[C@@]2(O)CC1	2356512775	DOZVKVJPJOEXOY-BALFXXBRSA-N	384.469	0.867	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C(=O)OC(C)(C)[C@](C)(O)[C@@H]1O	2356580086	ODESZJAFYLEJHT-HIYHZLHVSA-N	394.420	0.966	30	1	GCEF	
O=C(NO)c1cnc(N2CCN([C@@H](/C=C/c3cccc(F)c3)CO)CC2)nc1	45390735	JQUGGCHYIXURKK-BDUNBXCCSA-N	387.415	0.931	30	1	GCEF	
CC(=O)O[C@H]1[C@H]([C@@H]2CN(C)CCN(C)C2=O)[C@H](O)C[C@@H](C)[C@@H]2C=CC(=O)[C@@]12C	169322654	RNVVNXKEZATVOL-XTNNQQNNSA-N	392.496	0.716	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@H](O)C[C@@H]2OC3=O	238747236	DOCCUZZGOVNQFS-FALSTODFSA-N	378.421	0.166	30	1	GCEF	
CN(C)c1ccnc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)c1	96168628	LUEMNFVXJULDIV-MNOVXSKESA-N	385.402	0.089	30	1	GCEF	
C=C1[C@@H]2C[C@H](O)[C@@H]3[C@](C2)(C(=O)O[C@H]2CCC(C)(C)[C@H]4[C@H](O)O[C@@H](OC)[C@]234)[C@@H]1O	205076501	HKFUVWBDJGPQNK-INYASTLKSA-N	394.464	0.960	30	1	GCEF	
COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@@H]2N[C@H]1C[C@H]1C(C(C)=O)=COC[C@@]21O	238730676	ATORCSRBUZODQC-OMBLBEMTSA-N	384.432	0.894	30	1	GCEF	
C[C@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@H](C)CC[C@@]24O	257387026	BKRBOORGXGTRIL-NGJIIJCXSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@]1(O)C=C[C@@](C)(O)[C@H]21	2356453706	INZYZLOQCFZVFR-YOSIWLQUSA-N	378.421	0.785	30	1	GCEF	
C=C[C@@]1(C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@@H]2C[C@H]1OC(=O)C(=C)[C@@H](O)CO	95910665	ZXYASCOGVKCEDD-XFNMEUKGSA-N	378.421	0.666	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@H]12)O3	169643571	LNRVVOBVXXPDNC-HVVOUCQPSA-N	394.420	0.752	30	1	GCEF	biogenic
O=C(O)C1=CC(=CC=N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@@H](C(=O)O)N1	2356532806	YSNPSKZBOQYUHH-AAEUAGOBSA-N	390.348	0.506	30	1	GCEF	
O=C1Oc2c(O)cccc2[C@@]2(O)C[C@H]1[C@@]13O[C@@]21C(=O)c1c(O)cccc1C3=O	2356755863	AAJNAPPNFBZHCQ-VONWNFJESA-N	380.308	0.811	30	1	GCEF	
N#Cc1ncnc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3)c[nH]c12	95593772	UUXFDKRBQNHBNO-UHFFFAOYSA-N	388.387	0.997	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	169355370	NFHWFFQENCGSQZ-VUWQIMQXSA-N	376.405	0.801	30	1	GCEF	
C=C[C@]1(CO)C[C@H](OC(=O)/C(=C\C)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO	238763897	LLQFQSPYTBILCD-CREJLFHUSA-N	378.421	0.668	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@@H]12)O3	2356408045	SNUZCOSRHAIVKC-KORQSVFKSA-N	396.436	0.593	30	1	GCEF	
CCCCCCCC(=O)OCCSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC	84654044	CBLRRJLZCXEOOU-KBPBESRZSA-N	392.518	0.601	30	1	GCEF	
O=C(COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1)NO	29471220	PRPRMHWOAFLLTG-OAHLLOKOSA-N	376.409	0.979	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(=C)[C@@H]2CCC(CO)=C[C@@H]2[C@@H]1C(=C)C(=O)O)[C@H](O)CO	31170379	OUHXXXBKZQPLON-AVEIZBFRSA-N	378.421	0.969	30	1	GCEF	biogenic
CCOC(=O)[C@@H]1O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	31414281	RUQQPVXMOKJQCG-ZEDPFBHNSA-N	387.432	0.877	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H]1O[C@@](C)(CCC(=O)[C@]1(C)O)[C@@H]2O	525914844	UTMNEQUXFHWOKE-ILFCBBJHSA-N	394.420	0.595	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@H](O)[C@]3(C)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12	2356737393	PGUAGAYXKYJYDR-LTOAOAETSA-N	378.421	0.788	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@H]12	2356755485	PQMWCHJGFCQNRD-GHPKIJJTSA-N	376.405	0.899	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12CO[C@@H]4O[C@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@@H]42	2356786681	SJWINKDBDHFDEN-XGXFSVJVSA-N	376.405	0.532	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@H]1[C@H](O)[C@@H](C(=C)C(=O)OC)[C@H](OC(=O)C(=C)CO)C2	898709	FZALQGCQQJLGKE-QVTQBDIJSA-N	392.404	0.458	30	1	GCEF	
CCCCCCCCc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49802269	MNZDTQPQUDHCOK-FSUOKIBISA-N	379.461	0.923	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@H]1/C=C\C(C)=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238786018	ZQNWZSDLRNNPNH-URWDHFEXSA-N	396.480	0.867	30	1	GCEF	
C=C(CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)COC(=O)C=Cc1ccccc1	2356611961	PJOFVVRGQAIWEF-MTEHYEEQSA-N	394.420	0.006	30	1	GCEF	
S=C(NN=C1CCCCC1=NNC(=S)N1CCOCC1)N1CCOCC1	263590962	LJONAKPOHQHSGL-UHFFFAOYSA-N	398.558	0.686	30	3	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CO[C@@H]4OC[C@@](C)([C@H]41)[C@H](O)C[C@H]2OC3=O	2356733183	CORVIGTUSONGEO-ZOTYOEGWSA-N	376.405	0.184	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1	95874157	ZDFVZRKTEWGSHZ-QNWVGRARSA-N	399.535	0.997	30	1	GCEF	
COc1ccc(-c2cn(CC[C@](C)(C(=O)NO)S(C)(=O)=O)nn2)c(F)c1	95557187	YFZPUFYXZVVJGS-OAHLLOKOSA-N	386.405	0.792	30	1	GCEF	
CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]21	100304899	VXMGWBBELIEFKJ-QEXHCEIWSA-N	388.372	0.426	30	1	GCEF	in-vitro
CN(C)[C@@H]1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)C1	146333944	XUWURQSLAYAHGE-OAHLLOKOSA-N	378.477	0.803	30	1	GCEF	
O=C1N2C[C@@H](CC[C@H]2Cn2cc(-c3ccccc3)nn2)N1OS(=O)(=O)O	1857547867	FJBRUEBHSHMEMV-QWHCGFSZSA-N	379.398	0.948	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@]1(C)O[C@@H]1C)[C@H](O)[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21	2356744210	LPBXWOZPMYGXRR-CXTRLYIWSA-N	378.421	0.881	30	1	GCEF	
COc1cc(OC)cc([C@@H](P(=O)(O)O)S(=O)(=O)CC(=O)N(C)O)c1	1857559024	XELRRDNEFKKXKL-LBPRGKRZSA-N	383.315	0.143	30	1	GCEF	
CCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@@](O)(C(=O)c2ccccc2)[C@@H]3O)o1	238759632	MNZOUJCDZSUFOG-HMXCVIKNSA-N	397.383	0.973	30	1	GCEF	
CC(C)C1=C(O)C(=O)C2=C(C1=O)[C@H]1OC(=O)[C@@]23CCC[C@](C)(CO)[C@@H]3[C@H]1O	238767399	BROROJVFCBHECH-NDLGOLERSA-N	376.405	0.988	30	1	GCEF	
C=C1[C@]2(C)CC[C@@]3(O)[C@H](C)C[C@@]2(C[C@H](O)[C@]2(O)C(C)(C)[C@H](O)[C@H](O)[C@@]12C)[C@H]3O	2356347218	LHLWKUMQYBFARS-DUJBFZTISA-N	396.524	0.725	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12	2356637119	HUSWYTADELXPIC-TVFCKZIOSA-N	378.421	0.954	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC[C@H]2[C@H](O)[C@@]3(C)OC4=C(C(=O)O[C@@]42C[C@@H]3CO)C1=O	2356335436	ZTMDLJADCRURSE-ADUASXHLSA-N	378.421	0.909	30	1	GCEF	
N#Cc1c(NCc2ccccc2)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	142051001	OUDNVPMBLOCZKA-QEPJRFBGSA-N	396.407	0.109	30	1	GCEF	
C=C[C@@H]1[C@@H](C)[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO	238756209	OPEDAEVRMIIPOS-WBCDLYHVSA-N	378.421	0.522	30	1	GCEF	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCON=C(C)C)[C@@H]2SC1	29210303	SKVQSUDBJWHECH-DOMZBBRYSA-N	399.425	0.091	30	1	GCEF	
O=C(N[C@@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccno1	40568032	XZJUCBSAXCTKLA-QWHCGFSZSA-N	377.422	0.905	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@](C)(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12	523041854	UGWSDSBZZKPRAP-GPZJXISVSA-N	380.437	0.961	30	1	GCEF	biogenic
CC=C(C)C(=O)O[C@@H]1[C@H](O)[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@]3(CO3)[C@H]21	2356287409	ILBSAWZDZCQMLZ-XLANADEISA-N	390.388	0.738	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@]4(CO)CO4)[C@@H]12)O3	2356837339	LJMOAYAQYBADNI-QVHMSYDXSA-N	378.377	0.429	30	1	GCEF	
N#C[C@H]1[C@H](c2ccc(-c3cncnc3)cc2)[C@@H](CO)N1C(=O)CN1CCOCC1	95897999	BGDYSSQWKBYNJL-ZVDOUQERSA-N	393.447	0.655	30	1	GCEF	
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](C)[C@H](CC(=O)O)[C@]13COC(=O)[C@H]23	238757926	HEARPDWGNHOTSL-KTQNBEMBSA-N	392.404	0.714	30	1	GCEF	
NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CS)NC(=O)CS	49032830	FTQGNUDDXWRGFQ-STQMWFEESA-N	380.495	0.025	30	1	GCEF	
C[C@H]1C[C@H](O)[C@@]23COC(=O)[C@]2(O)[C@H]2O[C@H]2C[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O	238757019	QHSCKUHYGHIDLV-QVCQBBPNSA-N	390.388	0.716	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27647505	YOJOUEVWVFOYQS-ZVNJNTSYSA-N	380.393	0.544	30	1	GCEF	
C=C1C(=O)O[C@H]2C(CO)=CCCC=C(C)C[C@@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]12	2356287521	LBCBLDXREDUCHQ-MHORFTMASA-N	378.421	0.954	30	1	GCEF	
C=C1CC[C@H](O)C(C)(C)[C@@H]1C=CC(C)=C[C@H](O)[C@]12O[C@@H]1[C@H](O)C(CO)=C[C@H]2O	2356723359	GCFQOTAUBKKAQI-GTDRIRFSSA-N	392.492	0.995	30	1	GCEF	
O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1)NO	34374624	JRJZPKJIRHUYNP-AATRIKPKSA-N	389.437	0.506	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2cccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	82158475	NPAYPQBDCIQNPL-STRQVWJDSA-N	380.857	0.688	30	1	GCEF	
C[C@H]1CC[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]2(C(=O)[C@]4(C)C([C@@H](C)CO)=CC3=O)[C@@H]1O	104366472	BKRBOORGXGTRIL-ZYOZKWIPSA-N	380.437	0.089	30	1	GCEF	in-man
C=C1C[C@H](OC(=O)[C@](C)(O)C(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2C(=C)[C@H](O)C[C@H]12	2356475615	JYPDPWOSQFAAQH-XBVQEJTRSA-N	376.405	0.849	30	1	GCEF	
C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+](=O)c(C(=O)OC)c(C)n2O	49802851	MRIGDVFFJKKYBB-GIJQJNRQSA-O	376.418	0.872	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(CO)\C=C/[C@H]3O[C@@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12	238762398	PJPPGFOTUNLSNL-WNXVUIRJSA-N	376.405	0.971	30	1	GCEF	
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n([C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1N	17260908	YCVBNENTOZMDIA-GUSZCTEKSA-N	384.417	0.822	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)C[C@H](C)O)[C@H]2OC(=O)[C@@H](C)CC	34495776	CFNPAWULBAZKEI-LAEJNWDASA-N	398.452	0.514	30	1	GCEF	biogenic,in-vitro
N#Cc1cnc2ccc(-c3cnc(N)c(S(=O)(=O)N4CCOCC4)c3)cn12	71330279	IRFXECOAAKZZQQ-UHFFFAOYSA-N	384.421	0.871	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]2C	85847480	AVZCSGMWWXMJEA-WFJZUDGOSA-N	396.480	0.843	30	1	GCEF	in-man
C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	238759122	RXCXIMNHJACJBR-XBCOOIRZSA-N	390.388	0.716	30	1	GCEF	
N#CCC[C@@]1(c2nc(N)nc(N)n2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963229855	QIOCVQMQHWZTQS-IFXJQAMLSA-N	390.407	0.730	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@]1(O)O[C@@H]3OC	1772634847	NUYJBFSDWBBTBE-UYZBEOPQSA-N	394.464	0.960	30	1	GCEF	
NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/OCc1ccccc1	1857613410	FHPHDLXSJRVFEQ-HEHNFIMWSA-N	391.449	0.912	30	1	GCEF	
O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@@](O3)(O2)[C@H](O)C[C@@H]5O)[C@H]2O[C@@H]12	2356568940	QKLVXISZLKJRFY-OFQNBYTCSA-N	382.324	0.961	30	1	GCEF	
O=C1Oc2c(O)cccc2[C@@]2(O)C[C@H]1[C@]13O[C@@]21C(=O)c1c(O)cccc1C3=O	2356755862	AAJNAPPNFBZHCQ-SEKDPYQVSA-N	380.308	0.811	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=CC[C@@H]3[C@@]3(CO3)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12	2356762209	HUWHDSWKOJKFSR-WVMITNOHSA-N	376.405	0.662	30	1	GCEF	
O=C1C=C2C[C@@H](C(=O)O)N(C=CC3=CC(=C(O)O)N[C@H](C(=O)O)C3)C2=CC1=O	2356848665	PHGYRWDYJWBGFA-AAEUAGOBSA-N	388.332	0.279	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2ccc(F)cc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	82158282	MNVYQYCNDAEJEM-QZKOUSHUSA-N	392.818	0.766	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@]1(C)[C@H](O)CC[C@@](C)(O)[C@@H]21	2356545458	SVFPCVAHUZWSGH-YTTXUWBFSA-N	380.437	0.865	30	1	GCEF	
C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@H](C2=C[C@H]([C@H](O)C(C)(C)O)OC2=O)[C@@H]1CO	2356764499	MQIRKBSTEITVIF-GGYYRLTESA-N	382.453	0.453	30	1	GCEF	
CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCC(N)=O	26155661	SYDBLAFWWVBIGG-ULQDDVLXSA-N	390.484	0.037	30	1	GCEF	
C[C@H]1CC[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@]2(C(=O)[C@@]4(C)C([C@@H](C)CO)=CC3=O)[C@H]1O	100778676	BKRBOORGXGTRIL-WQNLQBQPSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
CCCN=C1C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@@H]3[C@@]1(OC)[C@H]2COC(=N)O	1857622164	ZXNXZTQDXAZLPO-IMYRLMCESA-N	376.413	0.644	30	1	GCEF	
C=C[C@](C)(O)[C@H](O[C@H]([C@H](O)CC(C)(C)O)[C@@](C)(O)C=C)[C@H](O)CC(C)(C)O	2356434451	RZOLATFOMQUCOR-BXXLAGKGSA-N	390.517	0.658	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO	100265813	ZTDFZLVUIVPZDU-ZWSPDTATSA-N	378.421	0.954	30	1	GCEF	
CN(C)c1ccc([C@H]2[C@@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1	103131043	ZJQFYFPTWIOGPR-MNOVXSKESA-N	378.439	0.438	30	1	GCEF	
C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O	142939592	FMUHXPKLGMHDNM-PBHICJAKSA-N	382.416	0.993	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@H]4O[C@@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@@H]42	49047740	SJWINKDBDHFDEN-WEZFAZIHSA-N	376.405	0.532	30	1	GCEF	
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(C)(=O)=O	40424778	OQMZPGBWBMCCID-YPMHNXCESA-N	377.440	0.276	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/C)CO)[C@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@H]21	238732563	HWMRAVUGIAMNQB-FLRVQQPKSA-N	376.405	0.419	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@]1(O)O[C@H]3OC	1857583054	NUYJBFSDWBBTBE-SWEDNULPSA-N	394.464	0.960	30	1	GCEF	
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)NO	28714443	RKNUZXZUVAWQOQ-ILXRZTDVSA-N	393.440	0.590	30	1	GCEF	
CNC(=O)OCc1c2c(n(C)c1COC(C)=O)C(=O)C(C)=C(N1CC1)C2=O	29547163	NWBVASXXFGWCOF-UHFFFAOYSA-N	375.381	0.913	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)CO[C@H]3O	100899495	VPZCNCFYAPSUAL-LQLHESBKSA-N	378.377	0.141	30	1	GCEF	in-vitro
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1[C@H](O)[C@H](O)[C@@](C)(O)[C@@H]12	2356286901	BBZPFHHMPSIYMT-XTQHWTOVSA-N	378.421	0.785	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@H]12)O3	2356455235	LJFIVFJQZWRSAJ-RXLILWNASA-N	394.420	0.513	30	1	GCEF	
C=C1C(=O)[C@@]23[C@H](O)[C@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@@H](O)[C@@]3(O)O[C@H]2OC	2356483779	XHYABSFBWXRDOI-ZOKDOHANSA-N	394.464	0.348	30	1	GCEF	
COc1ccc(S(=O)(=O)N2Cc3cc(N)ccc3C[C@H]2C(=O)NO)cc1	1489007	ROVRDWIOAVCKAV-INIZCTEOSA-N	377.422	0.898	30	1	GCEF	
N#Cc1nc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2nc1C#N	587273161	RDOCMQCMZOVDIG-NSHDSACASA-N	391.351	0.903	30	1	GCEF	
C=C(CO)[C@]12O[C@@]13[C@@H](OC(=O)[C@H](O)C(C)C)C(C)(C)C[C@@H]3[C@@H](C)[C@H](O)C2=O	2356435162	TYSMGDPIYYHWHH-LXUQBTTBSA-N	382.453	0.597	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@@]3(CO3)[C@@H]21	2356529946	XPLDQUHNWMTPHP-GDNCQQSUSA-N	390.388	0.739	30	1	GCEF	
CC(=O)O[C@H]1CC[C@@H](C)O[C@]12CC1=C(CO2)C(=O)[C@](C)(O)[C@@H](O)[C@@H]1OC(C)=O	2356802122	RWODYNSLPQJZMF-DXFKKUELSA-N	398.408	0.157	30	1	GCEF	
Cc1ccc(-c2c(C#N)c3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	73195636	NNZVXHPOYSQSAB-BVNXPQQUSA-N	381.392	0.472	30	1	GCEF	
CC#CCn1c(N2CCC[C@@H](N)C2)cc(=O)n(Cc2nc3ccccc3[nH]2)c1=O	96284195	YVFRUBWAYRHIRX-OAHLLOKOSA-N	392.463	0.885	30	1	GCEF	
COC1=C[C@@H](C)[C@@H]2C[C@@H]3O[C@@H](O)C[C@H]4[C@](C)(O)[C@@H](O)C(=O)[C@@H]([C@@]2(C)C1=O)[C@]34C	238777016	NWJNNRWDONVYAY-JAYOLLRQSA-N	394.464	0.802	30	1	GCEF	
CO[C@@H]1[C@@H]2OC(=O)[C@@H]([C@@H]2C(C)C)[C@]2(O)[C@H]3O[C@H]3[C@]3(C[C@@H]([C@H](C)O)C(=O)O3)[C@]12C	255288118	ZZBIHAVENDMJFR-DEKYSQEQSA-N	396.436	0.030	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(COC(C)=O)=CCC[C@]1(CO)O[C@H]21	2356486794	DUTVXWKDWRTKRZ-FSNPWBFUSA-N	380.393	0.819	30	1	GCEF	
NC(N)=NCCCCCC(=O)N1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1	13558374	ZBHQMZXPJBIOEB-KRWDZBQOSA-N	388.516	0.061	30	1	GCEF	
C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccccc1	13765404	JXRKSYPTADMDFW-XIRDDKMYSA-N	387.484	0.518	30	1	GCEF	
CC(=O)C1=C(O)C=C2O[C@]34O[C@]3(C(C)=O)C(O)=C(C)C(=O)[C@@]4(O)[C@]2(C)C1=O	621430866	CCGMYIMQBASKSA-MLHJIOFPSA-N	376.317	0.091	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	14450238	AVZCSGMWWXMJEA-MNNJCGFTSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](O)[C@@]1(C)[C@@H](C)[C@H]2OC(C)=O	2356427162	QVPZCCBUSKOYDY-PMZQGAPCSA-N	396.436	0.735	30	1	GCEF	
CC(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=C1C[C@]2(C)C(=CC1=O)CCC[C@@H]2C	2356493689	BMEBQSNRADUDKN-YFKBYTDISA-N	396.480	0.845	30	1	GCEF	
C[C@]12CC(=O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@]2(O)C(=O)CO	2356534377	BCHHPSBWEQCAPG-WPFKJHJBSA-N	376.449	0.961	30	1	GCEF	
CC[C@@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26022585	CRUTXKSXIUCGGL-UBDQQSCGSA-N	398.548	0.881	30	1	GCEF	
C[C@H](Cn1ncc(C#N)n1)n1cnc2cc3c(=O)n(C4CC4)nnc3cc2c1=O	73158093	NYRUFPDUHNFFTH-SNVBAGLBSA-N	389.379	0.561	30	1	GCEF	
CC(=O)O[C@@H]1[C@H](O)[C@@H]2O[C@@H]3C=C(C)[C@H](OC(C)=O)C[C@@]3(CO)[C@@]1(C)[C@@]21CO1	100257226	UROCTWOJYLMRHO-JHFVDCSKSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
NC(=S)N/N=C1/C[C@@H](n2nnnc2-c2ccccc2Cl)[C@@H]2CO[C@@H]1O2	100520869	YBDDQEKCHZFQOA-QUSGTQJRSA-N	379.833	0.869	30	1	GCEF	
C=C(C)C(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O	157024418	XTUQPQRJSZRSDZ-VPKOSVKTSA-N	380.393	0.616	30	1	GCEF	
C=C(C)[C@@H]1CC[C@]2(C)[C@H](O)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356424416	VGMXDSYTGIFDBM-AUOKPYDFSA-N	398.496	0.491	30	1	GCEF	
C[C@H](O)CCC(=O)C1=C2O[C@]3(C)[C@@H](O)[C@@H](C=CC(=O)O)[C@@]2(C[C@H]3C)OC1=O	2356687985	HXUORWAUCSCXSP-MQWXSDABSA-N	380.393	0.713	30	1	GCEF	
CN(C)C(=N)/N=C(\N)NS(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	299819040	CFQKQVWTFFPBET-UHFFFAOYSA-N	382.324	0.703	30	1	GCEF	
OC[C@H]1O[C@@H](OCc2ccc(C#Cc3ccccc3)s2)[C@@H](O)[C@H](O)[C@H]1O	2356416937	LEVGAHRJCGJQQE-MTHXSQLBSA-N	376.430	0.464	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)C(C)=CCO)[C@H]12	2356476647	MODAISDAHGURPG-KSZLIROESA-N	378.421	0.956	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(CO)[C@@H]1CC[C@@]2(O)C(=O)CO	2356405106	HESFZGWRDUVOMS-LZBRDQHESA-N	378.465	0.754	30	1	GCEF	
C=C(C)[C@@H]1CC(=O)C[C@H]2O[C@@](C)(CC2=O)C[C@H](O)[C@@H]2O[C@]2(C(=O)OC)[C@H](O)C1	2356765056	LQKBZDWBXWSEMX-LQOLHSOWSA-N	396.436	0.471	30	1	GCEF	
CC(=O)CCC(=O)N[C@@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O	40568471	AAZGZAPEWGKYOO-LSDHHAIUSA-N	380.466	0.972	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCN(C(C)=O)CC2)cc1	40973358	UZCHBPQXZPPPNZ-UHFFFAOYSA-N	394.449	0.749	30	1	GCEF	
Cc1ncc(COP(=O)(O)O)c(/C=N/[C@@H](CCC(=O)O)C(=O)O)c1O	58651782	ZZRWFCMLYWHYGX-XSFFOXFNSA-N	376.258	0.442	30	1	GCEF	in-vitro
CN(C)Cc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)cc1	96168615	NZNMYJQMRVIPTP-KGLIPLIRSA-N	398.441	0.690	30	1	GCEF	
C=C(O[C@@H]1C=C(CO)C2=CC(=O)[C@@](C)(C[C@@H]3OC(=O)C(=C)[C@H]31)O2)C(=O)OC	2356384861	CXAAAQLJZJSLPB-PGSNGQOISA-N	376.361	0.720	30	1	GCEF	
Oc1ccc2c3c1[C@@H](O)[C@H]1O[C@H]1[C@]31Oc3cccc4c3[C@](O2)(O1)[C@H](O)C[C@@H]4O	40834372	OTPVNHGOMNEPSU-KZYZBILJSA-N	384.340	0.812	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NCc3ccc(OC)cc3)CN12	2356840379	MQHKMFDRMWWRAC-ZHALLVOQSA-N	384.480	0.256	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@@]4(C)O[C@H]4C)[C@@]12O[C@H]3O	523041901	WFLSXZQWWJXMLO-ZRNBRBLKSA-N	394.420	0.752	30	1	GCEF	biogenic
COC1=C(CC(C)C)C(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@@]1(O)[C@@H]3[C@H](CN21)[N@@]3C	1857536292	XUNWXSGYDHBPMW-DDEFMUQWSA-N	391.424	0.165	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@H](C)CC)[C@H]12)O3	2356541886	PBHKMDBIOFKKFO-WSDMHYNZSA-N	396.436	0.593	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@H](O)[C@H]([C@H](C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C1	2356708883	GXAXDQKTBBMKOO-QNILMXGZSA-N	398.408	0.099	30	1	GCEF	
CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	5767520	UROCTWOJYLMRHO-WVJYZQHISA-N	382.409	0.096	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3ccnc(O)c3[nH]2)cc1	586940490	UKXJIGCWAATWML-UHFFFAOYSA-N	386.393	0.130	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)[C@H](C(=O)NO)C2CCS(=O)CC2)cc1	13586014	NPIXRIRDKCZNLD-ZTKGMFRUSA-N	399.490	0.895	30	1	GCEF	
C=C[C@]1(C)C[C@H](OC(=O)[C@H](C)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO	238755878	XLTGCIHAXSOPDM-IXUKWGKQSA-N	382.453	0.994	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)C[C@@H]3[C@H](C)[C@@]4(O)C(=O)OC[C@@]13[C@H]42	257618604	XCAPDGKSNAMUQC-IIZZHSDXSA-N	376.405	0.374	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@]12O[C@@H]3O	523041898	WFLSXZQWWJXMLO-YKCHKRDYSA-N	394.420	0.752	30	1	GCEF	biogenic
CO[S@@](=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO	2356808391	YSXFPXFUNVHEDS-OAQYLSRUSA-N	379.232	0.954	30	1	GCEF	
C=C(C(=O)O[C@H]1C[C@@]2(C)[C@H](O)CCC(=C)[C@]2(O)[C@H]2OC(=O)[C@@H](C)[C@H]12)[C@@H](C)O	238742479	XEZPEWWGRNCOKY-DWAHKKALSA-N	380.437	0.865	30	1	GCEF	
C[C@@H]1[C@H](O)C[C@@]23COC(=O)[C@]2(O)[C@H]2O[C@H]2C[C@H]3[C@@]12C[C@H](c1ccoc1)OC2=O	238747792	VYKKARPJZXXUQF-SVONEYMHSA-N	390.388	0.716	30	1	GCEF	
CC1=CC[C@@H](O)C(C)(C)[C@H]1/C=C/C(C)=C\[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O	238788265	MFBZDUOKEXHQGD-LAYKWLOLSA-N	392.492	0.995	30	1	GCEF	
O=C(NO)c1cnc(N2CCO[C@H](CN[C@H](/C=C/c3ccccc3)CO)C2)nc1	45358098	ZYAUSXQMBKTROG-IKSUFZCESA-N	399.451	0.465	30	1	GCEF	
COCC#Cc1ccc([C@@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCC4)C[C@@H]23)cc1	95797742	KCHQXIBFRAJOHB-ZJOUEHCJSA-N	382.460	0.982	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@]21O	195466867	ADBOAFOIAMBXJT-ZESOLSMVSA-N	376.405	0.803	30	1	GCEF	
C[C@@H]1C[C@]2(C)O[C@H]2C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O	2356317901	ZRIQEDVCFTZLLQ-GDZQFVHLSA-N	381.425	0.221	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(N(C)C)cc3)S[C@H]12	2356839351	LTNKVOKNMUIXQK-JSRQGNBESA-N	388.493	0.496	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(COC(C)=O)=CCC[C@@]1(CO)O[C@@H]21	2356486793	DUTVXWKDWRTKRZ-BCDMZGRMSA-N	380.393	0.819	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@@H]2C(=C)C(=O)O[C@@H]2C=C(CO)CCC=C1C)[C@H](O)CO	2356773010	OCQTZSWITIFTEM-BRSBDYLESA-N	378.421	0.954	30	1	GCEF	
Cc1ccnc2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc12	586940370	NYJHHDQMDCUFDJ-UHFFFAOYSA-N	384.421	0.733	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c(CC[C@@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O)nc2c1	587221590	WTCOXHSZGYZSCS-VHSXEESVSA-N	393.787	0.392	30	1	GCEF	
COc1cc(C=NO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)nc(-c2ccccn2)c1	2356324803	LKWAMLIBKNOJKX-YNBLHMCPSA-N	375.381	0.330	30	1	GCEF	
N#CCC[C@]1(c2nc(N)nc(N)n2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21	963229860	QIOCVQMQHWZTQS-LIRRHRJNSA-N	390.407	0.730	30	1	GCEF	
NCCCNC[C@@H](O)[C@@H](O)CNCCC/N=C1/CCCc2ccccc2N1	64448620	SIRKTTVKEGVKTL-MOPGFXCFSA-N	377.533	0.473	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@@](O)(C[C@@H]2O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]21	238754397	VTEAXXDANDDCCN-LUDDXEAOSA-N	380.393	0.123	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(=C)CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@H]1O	2356387571	YVCKUIYFOOOQJA-LTMAVZABSA-N	376.405	0.946	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@H](C)[C@@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356488862	BNSRRGINQVIFFG-LIWZQMIOSA-N	398.452	0.156	30	1	GCEF	
C=C[C@@]1(C)[C@H](C(=C)CO)[C@@H]2OC(=O)C(=C)[C@H]2C[C@H]1OC(=O)C(=C)[C@H](O)CO	2356360195	ZXYASCOGVKCEDD-BDYSUAKQSA-N	378.421	0.666	30	1	GCEF	
C=C(C(=O)O)[C@H]1[C@@H](O)CC(=C)[C@@H]2C[C@H](O)C(=C)[C@H]2[C@H]1OC(=O)[C@@H]1CCCN1	2356692048	HDPVXRRHYPQQSU-KTSXYBPLSA-N	377.437	0.781	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665302	RUQQPVXMOKJQCG-YHGCDCBASA-N	387.432	0.877	30	1	GCEF	
CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC3(O)CCC3)cc1-2	215762126	HDVQCBOQKJROCC-UHFFFAOYSA-N	380.404	0.668	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@H](CCN2Cc2ccc(OC)cc2)N1C	2356815426	CRAYVYCFUGNJAO-SLYNCCJLSA-N	398.507	0.598	30	1	GCEF	
CN(C/C(O)=N/S(=O)(=O)c1nc2ccc(OCCO)cc2s1)C(=N)N	27196946	ABEINLXYVVBZFJ-UHFFFAOYSA-N	387.443	0.138	30	1	GCEF	
CC(=O)C1=C(O)C=C2O[C@]34O[C@]3(C(C)=O)C(O)=C(C)C(=O)[C@]4(O)[C@@]2(C)C1=O	621430864	CCGMYIMQBASKSA-BDXSIMOUSA-N	376.317	0.091	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@](C)(F)CO3)C1=O	219474058	OISYCVGRZBHWPJ-PMACEKPBSA-N	398.394	0.493	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(C)=C(O)CCC(CO)=C[C@@H]2OC(=O)C(=C)[C@H]21)[C@H](O)CO	2356480992	YXSRKMIQVUZBKW-BDXSIMOUSA-N	394.420	0.840	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C	95732253	LUVAADAAXLMVKF-RKVPGOIHSA-N	396.509	0.673	30	1	GCEF	
C#CCN1C(=O)COc2cc(F)c(-n3nnc4nn(CC=C)cc4c3=O)cc21	98084269	GGEFWHCJPGULFO-UHFFFAOYSA-N	380.339	0.661	30	1	GCEF	
C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1C[C@H](O)[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21	145123221	FLRGNOFPZHOVBJ-HAJIUMPOSA-N	390.388	0.715	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	253693221	YOJOUEVWVFOYQS-UJGURONMSA-N	380.393	0.544	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@](C)(C(=C)O)[C@H](C(=C)CO)[C@@H]2OC(=O)C(=C)[C@H]21)[C@H](O)CO	2356442100	OINUCGBMSBDZAV-BDCPWUBGSA-N	394.420	0.552	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@H]1C[C@H](O)[C@H]2[C@]12CO[C@H]4O[C@@H](O)[C@@](C)(CC[C@H]1OC3=O)[C@@H]42	2356783322	LFLODSREXVMKOC-ZDPBEPAPSA-N	378.421	0.324	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)C[C@H](O)[C@](C)(O)C[C@H](OC(=O)[C@H](C)CC)[C@H]12	2356597819	VNVRUPDBEIOIML-WDOLBNGGSA-N	396.436	0.436	30	1	GCEF	
C=CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NC(CC)CC)ncnc32)[C@H](O)[C@@H]1O	48998047	VLURUACXSRDDGN-MOROJQBDSA-N	390.444	0.348	30	1	GCEF	
C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)NC1CC1	215738864	PBULEEQKQSTBAM-HXUWFJFHSA-N	398.394	0.562	30	1	GCEF	
CC1=C2C(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@](C)(O)[C@]2(O)CC1	2356512777	DOZVKVJPJOEXOY-RUNITJMPSA-N	384.469	0.867	30	1	GCEF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1	1630751	RPGHQCNKOXWXAX-ILXRZTDVSA-N	396.321	0.596	30	1	GCEF	
CCOP(=O)(NNc1nc(N)c(C(=O)N=C(N)N)nc1Cl)OCC	73129745	PHEDMLDSRWPJTN-UHFFFAOYSA-N	380.733	0.223	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)C(=O)[C@@H]3O[C@@H]3[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	525914837	SUBGEMJEVFBRLC-ULFQHWJPSA-N	392.404	0.372	30	1	GCEF	biogenic
COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(CO)[C@H](C[C@@H](O)C(C)(C)[C@@H]1C=O)OC3=O	2356673588	QPEQEZCPFMGPAC-MPXKZJEQSA-N	394.464	0.744	30	1	GCEF	
COCCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=Nc3cc(C)cc(C)c3)S[C@H]12	2356834524	KBWFGLHPGZIWJU-JSRQGNBESA-N	393.509	0.869	30	1	GCEF	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CS	48972065	RNOOFIAHJWHAQP-IRXDYDNUSA-N	385.489	0.857	30	1	GCEF	
C[C@]12C[C@H](O)[C@H]3[C@@H](C[C@H](F)C4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO	78509734	SBTGISCCOLPWIT-WREZKNJXSA-N	396.455	0.700	30	1	GCEF	
C#Cc1ccc(-c2cn([C@H]3C=C(Br)[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1	96907897	CQAXHXIWLCDFSK-ZJIFWQFVSA-N	376.210	0.843	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	100778368	FQTLNSKVFLETSS-KEBRQDRUSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC(=O)[C@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238772051	JSVOGERDQXWCMQ-MQPLLFDDSA-N	392.404	0.720	30	1	GCEF	
CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(=O)(=O)/N=C(\O)CNC)cc21	27199197	LDZKSFIAAKAVTR-WPRPVWTQSA-N	395.528	0.829	30	1	GCEF	
C[C@@](CCn1ccc(C#Cc2ccccc2)cc1=O)(C(=O)NO)S(C)(=O)=O	84620136	SQLYNXHSRIWJLS-LJQANCHMSA-N	388.445	0.947	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](O)[C@H]3[C@@]3(CO3)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356497093	ZDNNJCOUNKNSGH-KWHDRGAPSA-N	376.405	0.659	30	1	GCEF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]21CO1	2356516845	LWDKIUHKLIZGEF-UQSYLFMPSA-N	376.405	0.661	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@@H](COC)[C@H]21	2356580222	NFTKOFUBUQZORK-WOMMPRAXSA-N	392.404	0.843	30	1	GCEF	
CC(=O)O[C@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2	34096935	UROCTWOJYLMRHO-FMKNUBLKSA-N	382.409	0.096	30	1	GCEF	in-man
C=C1[C@@H]2CC[C@@H]3[C@@H](O)[C@@]2(C[C@@H](O)[C@@]2(O)[C@H]1[C@H](OC)[C@H](O)C2(C)C)C[C@@]3(C)O	40866438	LVTNTYUMDOSYCN-UNXWYAAGSA-N	382.497	0.598	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665308	RUQQPVXMOKJQCG-YOQTYQRRSA-N	387.432	0.877	30	1	GCEF	
C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@H]2C=C(C)CC[C@@H]1O	2356533606	MATHKSWBRWHKPE-XLAORIBOSA-N	378.421	0.954	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3C[C@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	254071313	SXQQMCLQCSKJNC-ZLQJMPCFSA-N	396.455	0.845	30	3	GCEF	
CSC[C@H]1O[C@@H](n2cnc3c(N)nc(N/N=C/CC(C)C)nc32)[C@H](O)[C@@H]1O	13472028	NUBVUORRDABELS-AYSLJPDLSA-N	395.489	0.835	30	1	GCEF	
C[C@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@H](C)CC[C@]24O	257387027	BKRBOORGXGTRIL-SPAINOAUSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
CC[C@H]1CCCCN1C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29560108	UQZKUCCETSAJQQ-CAEXGNQWSA-N	381.477	0.035	30	1	GCEF	
CCC[C@@H]1O[C@H]([C@H](O)C(N)=O)C[C@]23O[C@]12C(=O)c1c(O)cc(OC)cc1C3=O	2356714743	IQMIEGKPWKDDCT-DOMJJGQYSA-N	391.376	0.091	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](O)(C(=O)C[C@@H](C)O)[C@@H](C)[C@H](O)C[C@H]12	40413323	CFNPAWULBAZKEI-KKNLJDKJSA-N	398.452	0.514	30	1	GCEF	
COc1ccc(C(=O)N[C@@H](Cc2ccc(NC(=N)N)cc2)C(=O)NCC#N)cc1	82062221	PZCSCHXATCQKLK-KRWDZBQOSA-N	394.435	0.981	30	1	GCEF	
CCOC(=O)[C@]1(C#N)[C@@]2(C#N)C(N)=NC(ON=C(C)C)(ON=C(C)C)[C@@]12C#N	169431362	LEVOJUHEUBDOIW-BZUAXINKSA-N	385.384	0.942	30	1	GCEF	
COc1ccc2cc(/C=C/C(=O)C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)ccc2c1	299829451	KOBWSBLADQWBNP-PBLWQEDTSA-N	388.416	0.663	30	1	GCEF	
O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cc(C#CCO)cs3)N2C(=O)[C@@H]2CCCN12	963218258	QNPDOBLTHKUIHS-ZQIUZPCESA-N	382.445	0.662	30	1	GCEF	
COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)C(F)(F)F	29562620	MAYCNKJOJLHPKK-QWRGUYRKSA-N	378.372	0.864	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@@H]21	2356510198	PWJPDPKHMIOIIC-ZHJQMQMESA-N	376.405	0.659	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@H]1C[C@H](O)[C@H]2[C@@]12[C@@H](OC)O[C@@H](O)[C@H]1C(C)(C)CC[C@H]2OC3=O	2356671675	HKFUVWBDJGPQNK-ZIFNYEBNSA-N	394.464	0.960	30	1	GCEF	
COc1cc(OC)cc([C@H](P(=O)(O)O)S(=O)(=O)CC(=O)N(C)O)c1	1857559023	XELRRDNEFKKXKL-GFCCVEGCSA-N	383.315	0.143	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(C)cc3)[C@H]21	2356845289	ODEKTDCIWUUFQV-XAJHFOFHSA-N	375.494	0.813	30	1	GCEF	
COC(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)c1cccc2ccccc12	27893763	HAHQSRBFKWFRFM-AWEZNQCLSA-N	378.454	0.713	30	1	GCEF	
CC[C@@H](CO)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13C2=O	1857608220	UFMJXENGSMEAQT-FINCRXTOSA-N	388.416	0.674	30	1	GCEF	
C=C1C[C@]23C[C@@]4(O)[C@H]5[C@]6(C)C[C@H](O)[C@@H](OC(C)=O)[C@]57[C@H]2C[C@@H]1C(=O)[C@@H]3[C@H]7N4C6	2356598513	SMKLDHHGRDTUQJ-SWQJLAOSSA-N	385.460	0.863	30	1	GCEF	
COCCNC(=O)N[C@H](C(=O)N(CC(=O)NO)CC1CCCC1)C(C)(C)C	58538134	GEBZGSJAHHGWIS-OAHLLOKOSA-N	386.493	0.871	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(\CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	238787436	WBUYPTDEWJGFBU-RRTJNCJNSA-N	382.409	0.203	30	1	GCEF	
N#Cc1nc(N)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1	299861006	HKFWLYRWTWQDEB-JTSVONRASA-N	398.448	0.722	30	1	GCEF	
COc1ccccc1-n1cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn1	1857550096	ITBKCZHBYWJDII-ZDUSSCGKSA-N	376.417	0.995	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@H]1C(C)C	2356417887	PKFUSHXXVZSPEC-RCWVKNBDSA-N	398.452	0.682	30	1	GCEF	
CCCCCCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564868	SWAYIROKNUBACG-AJNGGQMLSA-N	383.493	0.283	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(O)c3[nH]2)cc1	586940089	HVFZBCLBHXBURC-UHFFFAOYSA-N	385.405	0.735	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@](C)(O)[C@H](C)O)C[C@]1(C)[C@H](O)CC[C@@H](C)[C@@H]21	2356787840	VUBMWJMJRVICBE-GFKIMUFYSA-N	382.453	0.945	30	1	GCEF	
CN1CC[C@@]23C(=O)C[C@@H]4[C@@H]5[C@@H]2N(C(=O)C[C@H]5OC[C@H]2O[C@]24C1)c1c(O)cccc13	3619382	LNLMCLDEZUWTRG-ALOOEFSMSA-N	396.443	0.826	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169332775	TVZHDVCTOCZDNE-ICQGVRJWSA-N	382.409	0.096	30	1	GCEF	
C=C1C[C@]23C[C@H]1[C@@H]1C[C@H]2[C@@]2(C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]2[C@@H]3C(=O)O)C(=O)O1	238750639	TUPQTEAXZZYYGA-XLVXFLBMSA-N	392.404	0.418	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](OC(=O)C(C)=CC)[C@](C)(O)[C@]1(O)C=C[C@@](C)(O)[C@@H]21	2356376418	SQRSEJMUWJOLCL-WLKSBDNNSA-N	378.421	0.785	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@@H](CO)C[C@@H]21	2356791949	JECJZVUUVWHENH-MGCYDNRHSA-N	378.421	0.598	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)[C@H](C)CC)C[C@@](C)(O)[C@@]1(O)[C@@H](O)[C@H]3O[C@@]3(C)[C@H]21	238767306	BXHVKGAAZHPUIH-XVJFZSSCSA-N	396.436	0.076	30	1	GCEF	
C=C[C@]12[C@H](CC)OC(=O)C(=C)[C@@H]1[C@@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)CCO)[C@@H]2O	2356508836	RZVMPVHNSFYQFW-URZPNPMKSA-N	392.404	0.433	30	1	GCEF	
CC1=CC(=O)C[C@@]2(C)CC[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]12	2356456025	OZZNTAYWTGDTHK-NKDZKEDISA-N	398.496	0.923	30	1	GCEF	
O=C(O)C1=CC(=CC=N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@H](C(=O)O)N1	2356532807	YSNPSKZBOQYUHH-DGCLKSJQSA-N	390.348	0.506	30	1	GCEF	
C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)C[C@H](Cc1ccccc1)N2	82205569	ZQHHDEMZPUZKKR-AWEZNQCLSA-N	398.419	0.734	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@]4(CC[C@H](OC(=O)/C(=C\C)CO)[C@]3(C)C[C@H](O)[C@@H]12)CO4	238769089	GYTQOYJFIYKHCR-FLCJAWTQSA-N	378.421	0.885	30	1	GCEF	biogenic
C=C1CC(=O)C=C(C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H]2C[C@@H]([C@@]3(C)CO3)[C@H](O)[C@]1(O)O2	299806657	HSSPWYAJKLQQPG-UWFYVAJJSA-N	392.404	0.158	30	1	GCEF	
O=C1C[C@H](O)[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@@H]5O	2356515802	BCPICRNXIKGDCQ-HUPFBWQXSA-N	382.324	0.961	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@]4(C)CO4)[C@@H]12)O3	2356585432	PUZOXMKYIJZDML-JNGUWMMZSA-N	376.361	0.349	30	1	GCEF	
NC(=O)C1CCN(c2ncc(C(=O)NCCCCCCC(=O)NO)cn2)CC1	118363826	ZAOCGWQOQOSCFO-UHFFFAOYSA-N	392.460	0.364	30	1	GCEF	
CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@](C)(O)COC)cc1-2	219539954	QBAUJOBSLRRVIH-FQEVSTJZSA-N	398.419	0.150	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)C1=C[C@H](O)[C@@H]1O[C@]123	2356726203	IMRLVMUNXUFBQB-AXYBUVBISA-N	388.372	0.781	30	1	GCEF	
O=C(NO)[C@@H]1C[S@@](=O)CN1S(=O)(=O)c1ccc(-c2ccccc2)cc1	73313685	FYFJMQCWKQDEQR-OWJWWREXSA-N	380.447	0.938	30	1	GCEF	
C=C1C[C@@H](OC(=O)[C@](C)(O)C(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](O)C[C@@H]12	238773137	JYPDPWOSQFAAQH-MLBSSRPKSA-N	376.405	0.849	30	1	GCEF	
C=C[C@](C)(O)[C@H](O[C@H]([C@H](O)CC(C)(C)O)[C@](C)(O)C=C)[C@@H](O)CC(C)(C)O	2356434454	RZOLATFOMQUCOR-MGTDTEAMSA-N	390.517	0.658	30	1	GCEF	
C=C(C)C(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@](C)(O)C[C@H]2O)OC1=O	2356628560	XTUQPQRJSZRSDZ-HAFFEQERSA-N	380.393	0.616	30	1	GCEF	
CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCC3)cc1	225180116	PLYKINYNVPDMBD-KRWDZBQOSA-N	383.404	0.981	30	1	GCEF	
CS(=O)(=O)N1CCc2c(ccc(-c3nc4nc(C#N)c(C#N)nc4[nH]3)c2N)C1	586955313	PANOXFPCAPBPLP-UHFFFAOYSA-N	394.420	0.663	30	1	GCEF	
N#Cc1cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C#N	587218776	IKVKXJBOKYYFNM-WDEREUQCSA-N	384.352	0.130	30	1	GCEF	
COC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)Cc1ccc(C(C)(C)C)cc1	28397898	RSQWBBUCBHMOPL-HOTGVXAUSA-N	391.516	0.565	30	1	GCEF	
C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(C)=C[C@@H](O)[C@@H]12	238765055	IKJCOTOCIDNGHA-KTFAJWTQSA-N	376.405	0.420	30	1	GCEF	biogenic
CC1(NS(=O)(=O)c2ccc3c(c2)c(=O)n(CC#N)c(=O)n3CC2CC2)CC1	1857767392	ZTTOLYZHBSVAED-UHFFFAOYSA-N	388.449	0.928	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@@H](C(=C)C(=O)O)[C@H](OC(=O)C(=C)CO)C2	2356455485	VFWBKWFDMSNXAX-YHZMMZGRSA-N	378.377	0.370	30	1	GCEF	
CCS(=O)(=O)c1nn2c(N)c(/C=C3/C=CC(=O)C(OC)=C3)c(=O)nc2s1	15974116	CXAMRMKVEKMFAI-VURMDHGXSA-N	394.434	0.579	30	3	GCEF	
C#CCN1C[C@@H](N(C)CCOC(=O)c2ccc(OC)c(OC)c2)CS1(=O)=O	96020622	SABJGVVTPQIGSN-OAHLLOKOSA-N	396.465	0.440	30	3	GCEF	
C[C@H](CO)C1=CC(=O)[C@]2(C)C[C@@]3(O)O[C@]4(C(=O)[C@@]13C)[C@@H](O)[C@@H](C)CC[C@@]24O	100778681	BKRBOORGXGTRIL-IUMYQCFLSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
C=C(CO)CCO[C@@H]1O[C@H](COC(=O)C=Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	2356616272	UWQYFRLKACSGMZ-MTEHYEEQSA-N	394.420	0.006	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	33913438	LJFIVFJQZWRSAJ-ITOWRCPISA-N	394.420	0.513	30	1	GCEF	
CC(C)[C@@]12O[C@@H]1[C@]13O[C@H]1C[C@H]1C4=C(CC[C@@]1(C)[C@@]3(O)[C@H](O)[C@@H]2O)C(=O)OC4	70454476	FMCYKVIHEKZEQY-PJNBDVDCSA-N	378.421	0.058	30	1	GCEF	biogenic,in-vitro
C=C[C@H]1COC(=O)[C@H](C=O)C[C@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)C(=C)CO)C1	95486291	MSWZYJMTCURMLM-AQGHMYMLSA-N	380.393	0.579	30	1	GCEF	biogenic,in-vitro
CC(=O)C1=C(O)C=C2O[C@@]34O[C@]3(C(C)=O)C(=O)C(C)=C(O)[C@@]4(O)[C@]2(C)C1=O	169640179	URWDTWBQFIXPCU-BSDSXHPESA-N	376.317	0.091	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(C)=O)C/C(COC(C)=O)=C/CC[C@@]1(CO)O[C@H]21	238765008	DUTVXWKDWRTKRZ-CYNNGFSISA-N	380.393	0.819	30	1	GCEF	
C=C(O[C@@H]1C=C(CO)C2=CC(=O)[C@@](C)(C[C@H]3OC(=O)C(=C)[C@@H]13)O2)C(=O)OC	2356384857	CXAAAQLJZJSLPB-GTACMHHNSA-N	376.361	0.720	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	17119672	DQSOKUXXNKVRAY-DOSMIGLWSA-N	378.377	0.512	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@](C)(O)CO)[C@@H]12)O3	84154330	YPLCCQMLBSLPHF-QVHMSYDXSA-N	380.393	0.411	30	1	GCEF	biogenic,in-vitro
CCOC(=O)[C@H]1O[C@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665376	RUQQPVXMOKJQCG-MMSARLRBSA-N	387.432	0.877	30	1	GCEF	
O=C(CCS(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO	28527790	VZNKSEFCLYNXRA-UHFFFAOYSA-N	394.453	0.941	30	1	GCEF	
CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@](C)(O)CF)cc1-2	219503748	KUXHJIZWSSMSIU-IBGZPJMESA-N	386.383	0.473	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC[C@H]2[C@@H](O)[C@@]3(C)OC4=C(C(=O)O[C@@]42C[C@H]3CO)C1=O	2356335439	ZTMDLJADCRURSE-OSTOQVRPSA-N	378.421	0.909	30	1	GCEF	
CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)C1(CC(=O)NO)CCCC1	29465934	DOCXBWVWGRPLQP-HNNXBMFYSA-N	377.441	0.924	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@H]4[C@](O)(OC[C@@]4(O)C[C@@H](OC(=O)CC(C)C)[C@@H]12)[C@H]1O[C@@]31C	238741178	BFVFZYVPBPSEFF-VUQFRUAXSA-N	394.420	0.299	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@]23O[C@H]2CC/C(=C/[C@@H]2OC(=O)C(=C)[C@H]21)CO[C@@H]3O	145729860	VPZCNCFYAPSUAL-RPJKVMPJSA-N	378.377	0.141	30	1	GCEF	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@@H]1[C@H](C(=O)O)C[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	2356542934	BXVKWOYHHOIALN-GZHDSTHDSA-N	394.420	0.967	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27627684	TVZHDVCTOCZDNE-IMECAPTFSA-N	382.409	0.096	30	1	GCEF	
Cc1ncccc1C#Cc1c(Cl)nc(N)nc1N[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O	73222037	AYWMWZVREPISIP-NGFQHRJXSA-N	389.843	0.330	30	1	GCEF	
N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccoc1	82065673	ZHIIMFYXJIIIKU-HNNXBMFYSA-N	375.406	0.633	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H](CO)[C@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@H]12)O3	100776751	SNUZCOSRHAIVKC-RJOUUTITSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
O=C(O)Cn1c(O)cn(/N=C/c2ccc(-c3ccc(O)c(C(=O)O)c3)o2)c1=O	169727424	WHTHPMVMXZOAHB-NGYBGAFCSA-N	387.304	0.986	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)=CC)[C@@H](O)[C@]1(C)OC(=CC1=O)[C@@H](C)[C@H]2O	2356518006	BOSMSDXDJXIVAW-COVLLLJVSA-N	392.404	0.576	30	1	GCEF	
O=C(OC[C@H]1CO1)c1ccc(C(=O)OC[C@H]2CO2)c(C(=O)OC[C@H]2CO2)c1	100049709	YNOWBNNLZSSIHM-JHJVBQTASA-N	378.333	0.353	30	1	GCEF	
C=C1CC[C@@H](O)[C@]2(C)C[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)O)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]12	29134115	KCJQFSPRHCELGR-VCODTPBCSA-N	380.437	0.865	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@@H](O)[C@H]2[C@]12CO[C@@H]4O[C@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@@H]42	49047744	SJWINKDBDHFDEN-KKVZTXORSA-N	376.405	0.532	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	62234783	FQTLNSKVFLETSS-MDZJMMHDSA-N	394.420	0.967	30	1	GCEF	in-man
C=C(C)[C@@H]1C[C@H]2O[C@](O)(C(=C)CC(=O)/C=C(/C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O	102919556	YVCKUIYFOOOQJA-VXXWIWKDSA-N	376.405	0.946	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2	2356761246	RANGFOQREJPKIH-MQDAKDOASA-N	380.393	0.304	30	1	GCEF	
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCN)c21	40429811	YSASGHSLMIIWAY-UHFFFAOYSA-N	385.428	0.933	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H]([C@H](C)C(=O)O)[C@H](OC(=O)C(=C)CO)C2	2356553541	DXPZBIQCCNPZKD-FDWMQONHSA-N	380.393	0.450	30	1	GCEF	
CCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O	44093717	ZWFXTBCMBWKCBF-VDNDLQMASA-N	383.445	0.739	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665311	RUQQPVXMOKJQCG-LCNYISICSA-N	387.432	0.877	30	1	GCEF	
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cccnc3)NC(=O)NC1=O)C2	149687482	WXCVOHBWBOAZLS-HXUWFJFHSA-N	394.362	0.815	30	1	GCEF	
CC(=O)OCC1=C2[C@@H](O)C[C@@](C)(OC(C)=O)C(=O)CC[C@@]3(C)O[C@H]3[C@H]2OC1=O	1857761488	QXUZRSNRAGMYAO-RTKIRCTNSA-N	396.392	0.365	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H](C=O)[C@@H]1CC[C@@](C)(O)[C@H]21	2356628461	UQAUQYHROZPOMC-GICDGRFBSA-N	378.421	0.929	30	1	GCEF	
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCN=C(N)N)c1ccccc1	26935847	JXRKSYPTADMDFW-OIISXLGYSA-N	387.484	0.518	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H](O)[C@H](C)C3=CC(=O)[C@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238748977	BOSMSDXDJXIVAW-TXYGKKGISA-N	392.404	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@H](O)CC=C(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12	1857632833	HUSWYTADELXPIC-XDXUQPDOSA-N	378.421	0.954	30	1	GCEF	
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@H](O)C[C@]1(C)[C@@H]2[C@H]2OC(=O)[C@@]1(O)[C@H]1O[C@H]12	2356744546	PYRTUYSUPAFERK-QNVYNHQJSA-N	390.388	0.715	30	1	GCEF	
C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C\C(=O)/C=C(\C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	34172728	NYQXKINSRDCSCG-RHHIARGZSA-N	376.405	0.946	30	1	GCEF	
COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O	49089518	NWBBODCXRAHUEM-OSMRJIJKSA-N	380.393	0.819	30	1	GCEF	
CCOC(=O)[C@H]1O[C@]12CC[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	253884026	RUQQPVXMOKJQCG-GMTRQUHLSA-N	387.432	0.877	30	1	GCEF	
C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12COC(=O)[C@@](C)([C@H](O)[C@H](O)C1)[C@H]2[C@@H]3C(=O)O	257529994	RERZXVXKJOZXIL-UCRPEDHSSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC(=O)[C@](C)(O)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356379950	MEMMEVBUUCPXSU-VORILXPSSA-N	394.420	0.354	30	1	GCEF	
CC(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=C1C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C	2356493688	BMEBQSNRADUDKN-XVCBVVQYSA-N	396.480	0.845	30	1	GCEF	
CCC[C@@H]1CCCCN1C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33836681	FOTHOLWACKDDPD-XFIYOXNOSA-N	395.504	0.425	30	1	GCEF	
CC(=O)O[C@@H]1CC[C@H](C)O[C@]12OCC1=C(C[C@H](O)[C@@](C)(O)C1=O)[C@H]2OC(C)=O	2356719014	MPVZXVXIZMIJFZ-KGXAFKEKSA-N	398.408	0.157	30	1	GCEF	
C=C1[C@H](O)[C@]23[C@H](O)[C@@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC	2356626169	MQFOWMSWYZXMPL-VBUZOPNCSA-N	396.480	0.140	30	1	GCEF	
CCC[C@@H]1CCCCN1C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29569423	FOTHOLWACKDDPD-RBGFHDKUSA-N	395.504	0.425	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]2C	85847489	AVZCSGMWWXMJEA-IYJMSWKPSA-N	396.480	0.843	30	1	GCEF	in-man
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	169363969	DJQAYXQSWDXHIP-DPSMQRQNSA-N	393.436	0.576	30	1	GCEF	
N[C@@H](CCCC/N=C1/C[S@@](=O)C[C@@H](CCC(=O)O)[C@H]1CC(=O)O)C(=O)O	58660520	OXEYOJPDXMYXIZ-KCFLLCMTSA-N	390.458	0.344	30	1	GCEF	in-vitro
C=C(CO)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC/C(=C\[C@H]2OC(=O)C(=C)[C@H]12)CO[C@@H]3O	100265544	VPZCNCFYAPSUAL-QPEZITIHSA-N	378.377	0.141	30	1	GCEF	
C/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1C(=O)N(C)C(=O)N(C)C1=O	103235916	NGCRCSRKORWSQF-VIZOYTHASA-N	378.301	0.957	30	1	GCEF	
CNC(=O)[C@@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1	225154720	WEXNKFCFOBZFCW-INIZCTEOSA-N	385.376	0.774	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	257473874	LKLDZCIWUDJQCF-ZJUDRLQRSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC(=O)[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]12	2356379949	MEMMEVBUUCPXSU-QQFIWZNKSA-N	394.420	0.354	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@](C)(O)[C@@H]1CC=C(C)[C@@H]21	2356390493	DYAHLLPCEAGRPJ-PEUATVKMSA-N	378.421	0.644	30	1	GCEF	
Nc1nc(C#CCCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	12405359	LIEDMTGTABXUMA-BGIGGGFGSA-N	387.440	0.342	30	1	GCEF	
CC(C)C[C@H](NC(=O)NCc1cn(Cc2cccc(N)c2)nn1)C(=O)NO	1857751630	HMWJGPBJXHAYMH-HNNXBMFYSA-N	375.433	0.628	30	1	GCEF	
C=C[C@@H]1[C@H](C)[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)CO	2356628317	OPEDAEVRMIIPOS-BCRGBEGPSA-N	378.421	0.522	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H]2O[C@@H]2[C@H](C)[C@]1(O)C(=O)C[C@@H](C)O	2356490735	UFACXRAFFYZVIR-QPDZMIOBSA-N	396.436	0.530	30	1	GCEF	
O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@@](O3)(O2)[C@H](O)C[C@@H]5O)[C@@H]2O[C@H]12	2356568943	QKLVXISZLKJRFY-XWQJYFADSA-N	382.324	0.961	30	1	GCEF	
C=C1C[C@@]23C[C@@]4(O)[C@H]5[C@]6(C)CN4[C@H]4[C@H]2[C@H](OC(C)=O)[C@H]1[C@@H](O)[C@H]3[C@@]45CC[C@@H]6O	2356782858	KLDNQFXMBMDPMZ-APIZXNQUSA-N	387.476	0.655	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@@H](CO)C[C@H]21	2356791951	JECJZVUUVWHENH-TXZIIRQMSA-N	378.421	0.598	30	1	GCEF	
CCOC(=O)[C@H]1O[C@@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	139843666	RUQQPVXMOKJQCG-KTIJDBJWSA-N	387.432	0.877	30	1	GCEF	
CC(=O)O[C@H]1CCC(=O)O[C@@H]1[C@H]1O[C@H]1C=C[C@H](OC(C)=O)[C@@H](C)OC(C)=O	2356417449	BGZBBOABPPQXTB-KFJISPNZSA-N	384.381	0.831	30	1	GCEF	
CCCCNC(=O)[C@@H](NC(=O)/C(=N\OC)c1csc(N)n1)C(OC)OC	87528444	MVDVILFCLHGAFU-BPXUPMHTSA-N	387.462	0.096	30	1	GCEF	in-vitro
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@@H]2O)/C(CO)=C\[C@H]2OC(=O)C(=C)[C@@H]21	257574813	VTEAXXDANDDCCN-CEHTZHQXSA-N	380.393	0.123	30	1	GCEF	biogenic
C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C=C[C@@]2(C)O	2356287487	KNBQELVVKBFJKR-KAPKYQHQSA-N	376.405	0.420	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3C(=C)[C@@H](O)[C@@H](OC(=O)C(=CC)CO)[C@H]12	2356539964	HWMRAVUGIAMNQB-AJNSVLDYSA-N	376.405	0.419	30	1	GCEF	
CN(C)C(=O)[C@H](Cc1ccc(COc2ccccc2)cc1)NC(=O)C(=O)NO	13439905	WFYLXIFCLIAISI-KRWDZBQOSA-N	385.420	0.887	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)O3	105396069	LJFIVFJQZWRSAJ-YCANHJGASA-N	394.420	0.513	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(C)=C(O)CCC(CO)=C[C@@H]2OC(=O)C(=C)[C@@H]21)[C@H](O)CO	2356480995	YXSRKMIQVUZBKW-ZJPYXAASSA-N	394.420	0.840	30	1	GCEF	
C=C1C(=O)O[C@@H]2C3=C(C)[C@H](O)C[C@H]3[C@](C)(O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]12	39161733	JTQJIRXXEDGVRG-LEUZWMKNSA-N	380.393	0.410	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@@]1(O)C(=O)[C@@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	169364786	DJQAYXQSWDXHIP-QZKFXUDJSA-N	393.436	0.576	30	1	GCEF	
C=C[C@]12[C@H](CC)OC(=O)C(=C)[C@@H]1[C@@H]1OC(=O)C(=C)[C@@H]1[C@H](OC(=O)CCO)[C@@H]2O	2356508834	RZVMPVHNSFYQFW-JDTGTMNESA-N	392.404	0.433	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@]12CO2	2356568972	RDNBTHMQYKALRD-MOBHRDKOSA-N	380.393	0.304	30	1	GCEF	
CNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc([N+](=O)[O-])cc21	6041456	NZYVTOAYVMMSGE-LGMDPLHJSA-N	378.414	0.029	30	1	GCEF	
CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@@H](C(=O)NO)N1CCCC1)C(C)(C)C	13802386	YHQYCXXDVJZMED-QLFBSQMISA-N	384.521	0.895	30	1	GCEF	
C=CCCCCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49018467	WURHLJKAHCLJRT-SDBHATRESA-N	381.458	0.468	30	1	GCEF	
CN1CCC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)C1=O	215746571	GRFKWCCCJKSZAX-FQEVSTJZSA-N	380.404	0.376	30	1	GCEF	
C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H](C)C(=O)C[C@H]12	2356617794	RSMYKTKKFRLXQD-BINTVBDLSA-N	376.405	0.708	30	1	GCEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(C(F)(F)F)C(F)(F)F	17216336	DNUPNICBYLLDJY-XVMARJQXSA-N	396.215	0.467	30	1	GCEF	
CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C=O	13437587	FAFCWIZUCJNALJ-UAGQMJEPSA-N	391.468	0.975	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(CO)C[C@H](OC(=O)C(=CC)CO)[C@@H]12	2356461839	WBZULALSEKFYIU-WDHIOAMHSA-N	376.405	0.971	30	1	GCEF	
C=C1C[C@H](O)[C@]2(O)[C@H](CC2(C)C)C(CO)=C[C@H](O)[C@@H]1NC(=O)C=C(C)CCO	2356788801	CMJXRYDKHRUJLL-BFDCFGGLSA-N	395.496	0.178	30	1	GCEF	
CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1	95869542	MQRMNHBIWMSUQW-QKNQBKEWSA-N	398.507	0.689	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@]2(C)C[C@H]3C(=O)O[C@@H](C4=C(C)[C@H](O)C[C@H]42)[C@@H]13)[C@H](O)CO	238730634	BKVPBYRTFSFTEK-NHCMVAIMSA-N	378.421	0.476	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@](O)(CO)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@H]12	2356657291	AQWYQKBXSZYHMI-JOYWHVJOSA-N	396.436	0.388	30	1	GCEF	
C=C(C)[C@@H]1C[C@@H]2O[C@@](O)(C(=C)CC(=O)/C=C(/C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O	238749379	YVCKUIYFOOOQJA-LKGPDEJKSA-N	376.405	0.946	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@@H]1C[C@@H]1OC(=O)C[C@@H]3[C@H](C)[C@H](O)[C@@]4(O)OC[C@@]13[C@H]42	257567068	VLYMLZRDCSQUQF-UVNSZLSGSA-N	378.421	0.166	30	1	GCEF	
O=C(CC[C@H](NC(=O)CCCCC(=O)Nc1ccccc1)C(=O)NO)NO	1772630878	YJGBVZSASMDFDQ-ZDUSSCGKSA-N	380.401	0.461	30	1	GCEF	
CC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C=O)CCCCN)C(C)C	40465028	GRTWEYRCFAVSEC-IXDOHACOSA-N	384.521	0.491	30	1	GCEF	
CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)NO	49111770	XXZNXULRAJJTRV-LLVKDONJSA-N	394.247	0.128	30	1	GCEF	
C=CCN(C)C[C@@H]1CN2CC[C@H]1C[C@H]2CNC(=S)NCCN1CCOCC1	2356753449	XNMURRMCLHSVNN-OTWHNJEPSA-N	395.617	0.611	30	1	GCEF	
CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NC(=O)Nc2cccc(C#N)c2)[C@@H]1O	2356854746	RRXZAFPQNOZMTK-FPSMNIFISA-N	389.456	0.026	30	1	GCEF	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC(=O)[C@H]4C(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO	38933849	AKGNEJHNADLZKW-WGPCGGRZSA-N	376.449	0.817	30	1	GCEF	in-man
C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@]12COC(=O)[C@](C)([C@H]1[C@H]3C(=O)O)[C@@H](O)[C@H](O)C2	100778422	RERZXVXKJOZXIL-IYMIDATMSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
Cn1cc(-c2nn(C[C@@H]3CCCN(C(=O)CC#N)C3)c3ncnc(N)c23)cn1	1857767459	QQGDMRXNKJFHEN-GFCCVEGCSA-N	379.428	0.961	30	1	GCEF	
OC[C@@H]1O[C@@H](O/N=C/c2ccc(OCc3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	28525532	KYYOETBZDHJWBK-CRLZGYNPSA-N	389.404	0.416	30	1	GCEF	
COc1ccc(CCCN/C(N)=N/C(=O)c2nc(Cl)c(N)nc2N)cc1	36176061	MNUFMYQWEVSFMV-UHFFFAOYSA-N	377.836	0.980	30	1	GCEF	
CC(C)NC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1	95869545	MQRMNHBIWMSUQW-IRFCIJBXSA-N	398.507	0.689	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@](O)(CO)[C@@H](O)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238777382	AQWYQKBXSZYHMI-DDMMOONKSA-N	396.436	0.388	30	1	GCEF	
C=C(CO)[C@]12O[C@@]13[C@@H](OC(=O)[C@H](O)C(C)C)C(C)(C)C[C@@H]3[C@@H](C)[C@@H](O)C2=O	2356435163	TYSMGDPIYYHWHH-NDNCUKFVSA-N	382.453	0.597	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	27627689	TVZHDVCTOCZDNE-MAORFSPBSA-N	382.409	0.096	30	1	GCEF	
COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C	33833039	JTUXCVKEZIPSKW-XGWPDQFHSA-N	394.464	0.802	30	1	GCEF	biogenic,in-vitro
CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1	95869573	MQRMNHBIWMSUQW-ZVDOUQERSA-N	398.507	0.689	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]4[C@](O)(OC[C@@]4(O)C[C@@H](OC(=O)CC(C)C)[C@@H]12)[C@H]1O[C@@]31C	238769636	BFVFZYVPBPSEFF-QEXVZRRVSA-N	394.420	0.299	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356563826	NSIQFTFECCWKID-CSMMIWBUSA-N	396.436	0.220	30	1	GCEF	
NC(N)=Nc1nc(CSCC/N=C(\N)NCCCc2c[nH]cn2)cs1	38896379	SDSBSDJISPODJX-UHFFFAOYSA-N	381.535	0.541	30	1	GCEF	
CC(=O)O[C@@H]1C[C@]2(CO)[C@@H](C=C1C)O[C@H]1[C@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@]12CO2	100257221	UROCTWOJYLMRHO-VUTFFHJCSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
Cc1nc([C@@](C)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)CO)n[nH]1	215738181	JIZVMAYJOZDNSM-FQEVSTJZSA-N	392.419	0.770	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	14450241	AVZCSGMWWXMJEA-OGAIHWIASA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@H]1CO1	40954804	QXPRIMHKXWCGCU-STQMWFEESA-N	394.449	0.804	30	1	GCEF	
C=C(CO)CCO[C@H]1O[C@H](COC(=O)C=Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	2356616273	UWQYFRLKACSGMZ-XZEJUNMKSA-N	394.420	0.006	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@]1(O)C[C@H](O)[C@@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@H]1OC3=O)[C@H]42	2356401200	WNCXXTYZZHJBOB-YHIXOIKUSA-N	378.421	0.120	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(C)[C@H](O)CC=C(C)[C@@H]21	2356573946	GWJXGILYDSNHLU-PVZJGROWSA-N	378.421	0.644	30	1	GCEF	
CC(C)(CNS(=O)(=O)c1ccccc1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N	40937145	YTWYAQLLBQVJFF-KBPBESRZSA-N	382.461	0.796	30	1	GCEF	
C=C1C[C@]23C[C@@]4(O)[C@H]5[C@]67[C@H](OC(C)=O)[C@@H](O)C[C@@]5(C)CN4[C@@H]6[C@H]2C(=O)[C@H]1C[C@@H]73	95911809	SMKLDHHGRDTUQJ-QBOMOUJKSA-N	385.460	0.863	30	1	GCEF	biogenic,in-vitro
Cc1ncc(COP(=O)(O)O)c(C/N=C(\C=C\OCCN)C(=O)O)c1O	98209316	OBCQKAZQAHYUOZ-CALQLVRRSA-N	389.301	0.220	30	1	GCEF	in-vitro
C/C=C(/C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]1C(C)C	238751045	PKFUSHXXVZSPEC-YSGBXONQSA-N	398.452	0.682	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@]4(O)[C@H](C)[C@H](O)[C@H](O)[C@H]([C@H]34)[C@]2(C)C1=O	2356488417	LXOOTOQKADUTAC-DIBZYCONSA-N	380.437	0.412	30	1	GCEF	
CN(C)C(=O)c1ccc2c(c1)/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2	13470460	DKXHWVOIGOXEOZ-UHFFFAOYSA-N	387.421	0.804	30	1	GCEF	
C#CCNC(=O)C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NO	96909801	JLODPOWORIGMEU-IBGZPJMESA-N	389.411	0.830	30	1	GCEF	
N#CCNC(=O)[C@H](CC(=O)N1CCCC1)CS(=O)(=O)Cc1ccccc1	82064855	FIXWTGUPKBIHJE-MRXNPFEDSA-N	377.466	0.870	30	1	GCEF	
C=C1C[C@H](O)[C@H](C(=C)C(=O)O)[C@H](OC(=O)[C@@H]2CCCN2)[C@@H]2C(=C)[C@H](O)C[C@H]12	2356692050	HDPVXRRHYPQQSU-XGFXEOLMSA-N	377.437	0.781	30	1	GCEF	
O=C1NC(=O)C(=CC2=CN[C@H]3C(=NC4CC4)N=C(c4cccc(F)c4)C=[N+]23)N1	1857628666	SWFCXWWWHGEOFZ-QGZVFWFLSA-O	379.375	0.767	30	1	GCEF	
CCCCC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O	35859848	NUNQIQQEEPOGDJ-JDOAOKHLSA-N	395.412	0.337	30	1	GCEF	in-vivo
CC1(C)S[C@H]([C@@H](C=O)NC(=O)[C@@H](C(=O)O)c2ccccc2)N[C@H]1C(=O)O	58649790	YABPSSAFCROUQF-OWTLIXCDSA-N	380.422	0.433	30	1	GCEF	in-vitro
C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	238765467	ZMEFVYTUBDLSJT-NPUYJLKLSA-N	376.405	0.661	30	1	GCEF	biogenic
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](CO)O2)cc1C(F)(C(F)(F)F)C(F)(F)F	5836140	DNUPNICBYLLDJY-VQVTYTSYSA-N	396.215	0.467	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)N2CCN(C)CC[C@@H]2C(=O)NO)cc1	28334644	UNINFAIJOLFFHN-MRXNPFEDSA-N	381.454	0.289	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]12	299844457	TZMBEJAHWVHDNJ-HLZFWKDSSA-N	392.404	0.182	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	13685008	LJFIVFJQZWRSAJ-XHQDUOMNSA-N	394.420	0.513	30	1	GCEF	
C=C[C@H]1O[C@@H](n2cc(I)c3c(N)ncnc32)[C@H](O)[C@@H]1O	13809463	PXCJRAZXTOLWHN-WOUKDFQISA-N	388.165	0.423	30	1	GCEF	
CC(=O)OC[C@]12[C@H](O)[C@H](O)C(C)=C[C@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2	85849783	JSKXQQKSUOVSKS-HMLCPWEMSA-N	382.409	0.096	30	1	GCEF	in-man
C=C1C(=O)O[C@H]2[C@H](O)[C@]3(C)CCC(=O)[C@](C)(O)[C@H](O3)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356613692	UTMNEQUXFHWOKE-YIDJCFEKSA-N	394.420	0.595	30	1	GCEF	
C#CCN1C[C@H](N(C)CCOC(=O)c2ccc(OC)c(OC)c2)CS1(=O)=O	96020623	SABJGVVTPQIGSN-HNNXBMFYSA-N	396.465	0.440	30	3	GCEF	
COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@](C)(O)[C@@H](O)C(=O)[C@@H]([C@@]2(C)C1=O)[C@@]34C	238755728	NWJNNRWDONVYAY-FRMYVSSMSA-N	394.464	0.802	30	1	GCEF	
C=C1C[C@]23C[C@]4(O)[C@H]5[C@@]6(C)C[C@H](O)[C@@H](OC(C)=O)[C@@]57[C@H]([C@H]2C(=O)[C@H]1C[C@@H]37)N4C6	255265118	SMKLDHHGRDTUQJ-RXQMBHOVSA-N	385.460	0.863	30	1	GCEF	
COC1=C/C(=c2/[nH]c3n(c2=Nc2ccc4c(c2)OCCO4)C=CNC=3)C=CC1=O	263591675	FIKGDWDHWFNNQY-BSIGILQVSA-N	390.399	0.409	30	3	GCEF	
CN(C)C(=O)COc1cc(C(=O)N2CCC[C@@H](N)C2)nn1-c1ccc(C#N)cc1	1772642668	FMJSNTDMWQHNSZ-OAHLLOKOSA-N	396.451	0.774	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H](O)[C@](C)(O)[C@@H](C)OC(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]21	2356387518	WOCWXHOEKDDPHY-BWDYKABKSA-N	380.393	0.576	30	1	GCEF	
C=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@H](O)CC=C(C)[C@H]2C1	2356430982	YCPOPAUEGHAQIJ-YPTLFQBJSA-N	398.496	0.493	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)[C@](O)(CO)[C@H](C)O)[C@@H]12	2356472603	CSLDZLRWNOJBIW-OOBLHPBESA-N	396.436	0.148	30	1	GCEF	
CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C(=O)OC)N2/C1=N\C	61942255	ZFAVMBHTPBBQJO-IUVRTWELSA-N	398.463	0.725	30	3	GCEF	
C[C@H]1C[C@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O	2125883	CZQLULNMKQAIQL-SVWNOQBBSA-N	381.425	0.221	30	1	GCEF	biogenic,in-vitro
O=C(Cc1ccccc1[N+](=O)[O-])On1c(=O)c(F)cn([C@@H]2CCCO2)c1=O	40747204	PMPPCBUETABYMG-ZDUSSCGKSA-N	379.300	0.564	30	1	GCEF	
C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)C	95712358	ZAUQWYYYMXHWKM-FCEWJHQRSA-N	388.512	0.776	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@@H]2[C@H]2O[C@H]21)C(=O)OC	101132645	DJQAYXQSWDXHIP-FYLHROLFSA-N	393.436	0.576	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C(=O)O[C@H](C)[C@@](C)(O)[C@@H]1O	2356387520	WOCWXHOEKDDPHY-JHKFUBFRSA-N	380.393	0.576	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@@H]3[C@H]([C@H](O)[C@H](O)[C@@]4(C)O)[C@]2(C)C1=O	2356709467	FWRJMYHVRDNRRQ-INHVLXLJSA-N	380.437	0.412	30	1	GCEF	
CC(=O)OC[C@@H]1C=C(OC(C)=O)C(=O)[C@@H](OCC(=O)NCc2ccccc2)O1	66259153	LWSWXMJDWBODHB-KXBFYZLASA-N	391.376	0.624	30	1	GCEF	
N#CCNC(=O)[C@@H](CC(=O)N1CCOCC1)CS(=O)(=O)Cc1ccccc1	82064837	LXBPFBABWSVQQV-INIZCTEOSA-N	393.465	0.106	30	1	GCEF	
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@H]2C(=O)C3=C(O)c4c(O)cccc4C[C@@H]3C[C@@H]12	100759636	ARIAFWGPXNYCQI-JXHLQSRASA-N	398.415	0.849	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)CC(=C)[C@@H]1[C@H](O)C=C(C)[C@H]21	238750173	IKJCOTOCIDNGHA-KCUCPFHUSA-N	376.405	0.420	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@@]4(C)O[C@@H]4C)[C@@]12O[C@@H]3O	523041894	WFLSXZQWWJXMLO-HVCNWDFISA-N	394.420	0.752	30	1	GCEF	biogenic
O=C(N[C@H]1CN([C@@H](C(=O)O)c2ccc(O)cc2)C1=O)C(=NO)c1ccc(O)cc1	2356704926	NMMOYDKOFASOBV-GOEBONIOSA-N	399.359	0.429	30	1	GCEF	
C/C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C1/C[C@@]2(C)C(=CC1=O)CCC[C@@H]2C	238755447	BMEBQSNRADUDKN-YUTKSKABSA-N	396.480	0.845	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@]3(C)OC(=CC3=O)[C@H](C)[C@@H](O)[C@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12	238762423	DPWFMICLQOCEEX-PDVHGJTFSA-N	392.404	0.816	30	1	GCEF	
O=C(NO)[C@@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	1857756738	KKRXEVRPSWCKFJ-INIZCTEOSA-N	389.433	0.707	30	1	GCEF	
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@@H](O)CC)[C@H](F)C(=O)NO	13587655	ZWAGHAOKLTZRCM-CRWXNKLISA-N	375.441	0.514	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12CO[C@@H]4O[C@H](O)[C@](C)(CC[C@H]1OC3=O)[C@@H]42	2356786679	SJWINKDBDHFDEN-BLPSUJFDSA-N	376.405	0.532	30	1	GCEF	
C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	257418695	FQTLNSKVFLETSS-ZKXBFEFHSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
O=C1C2=C(C(=O)c3ccccc31)[C@]1(CS2)NC(=O)[C@H](Cn2ccnc2)NC1=O	28635303	YGPZOTMVTMAZLS-BUXKBTBVSA-N	394.412	0.317	30	1	GCEF	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)c1cccs1	29555226	XVLBOSGYEHDGOE-STQMWFEESA-N	377.491	0.989	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)C(=O)O[C@@](C)([C@H](C)O)[C@H]1O	238755427	UNYWYFFFHHQZSP-HOVAUFACSA-N	380.393	0.576	30	1	GCEF	
C=C1CC[C@@H](O)C(C)(C)[C@H]1/C=C/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O	202154509	GCFQOTAUBKKAQI-DYYYMCMPSA-N	392.492	0.995	30	1	GCEF	
CCC(=O)N1CCC(c2ccc(C(=O)N=C(N)N)cc2S(C)(=O)=O)CC1	95557618	WGLLOZFTMLKSGQ-UHFFFAOYSA-N	380.470	0.620	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@@]4(C)O[C@H]4C)[C@@]12O[C@@H]3O	523041897	WFLSXZQWWJXMLO-WEGCQOTESA-N	394.420	0.752	30	1	GCEF	biogenic
CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4c3CCCC4)c2)C1=O	1857759626	ANPWZZNJYGIQMA-FQEVSTJZSA-N	379.420	0.190	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@](C)(C(=C)O)[C@H](C(=C)CO)[C@@H]2OC(=O)C(=C)[C@@H]21)[C@H](O)CO	2356442101	OINUCGBMSBDZAV-BDYSUAKQSA-N	394.420	0.552	30	1	GCEF	
CCCCOc1ccc(S(=O)(=O)N2C[C@H](NOC)C[C@@H]2C(=O)NO)cc1	13803458	NIUQIJFMBOIHLA-IUODEOHRSA-N	387.458	0.654	30	1	GCEF	
C#CCn1c(=O)c2c(nc3n2CCCN3Cc2cccc(OC)c2)n(C)c1=O	103251205	JOAYKSVANSXOGH-UHFFFAOYSA-N	379.420	0.949	30	1	GCEF	
COc1cc(O)c2c(c1)NC(=O)C[C@H](O)[C@H](O)C(=O)/C=C/[C@@H](C)[C@H](C)OC2=O	169345913	NLQIYBZZANXCBC-PVSHCJBDSA-N	393.392	0.772	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@]2(C)O[C@@](O)(C[C@@H]2O)/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]21	238754412	VTEAXXDANDDCCN-FPDPNRLYSA-N	380.393	0.123	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CC[C@@H]3O[C@]3(COC(C)=O)C[C@@H](OC(C)=O)[C@H]12	2356420431	AMOCTMOKYBTADW-ILYVXUQDSA-N	380.393	0.819	30	1	GCEF	
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	101324793	TVZHDVCTOCZDNE-IUSNHSHASA-N	382.409	0.096	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@]1(CO1)[C@@H]1[C@H](O)[C@H]3O[C@@]3(C)[C@]21O	238771584	QUSNLLJZMPVTTC-GKMXUJGRSA-N	392.404	0.014	30	1	GCEF	
CO[C@]12[C@@H](COC(N)=O)C3=C(C(O)=C(C)/C(=N\C4CC4)C3=O)N1C[C@@H]1[C@H]2N1C	100997173	QTWCZIHYOXSAGZ-VTKBFBMJSA-N	388.424	0.325	30	1	GCEF	
COCC1(C#N)CCN(C(=O)c2cnn(-c3nc(=O)c4cccn4[nH]3)c2C)CC1	1857607644	WWRYYSSTZXFTFX-UHFFFAOYSA-N	395.423	0.909	30	1	GCEF	
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@@H]2C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@@H]12	100759634	ARIAFWGPXNYCQI-UEVPNFDOSA-N	398.415	0.849	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)C=C(C)[C@]1(O)CC=C(C)[C@H]21	238736181	HEAIOJBLGNUAOY-OIECKMMNSA-N	376.405	0.564	30	1	GCEF	
CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O	584905561	TZWJROGWIGFGSI-ULQDDVLXSA-N	389.452	0.942	30	1	GCEF	in-vitro
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@H]12)O3	2356412622	WBUYPTDEWJGFBU-PHGIVBCJSA-N	382.409	0.203	30	1	GCEF	
CCCCCCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1F	44352444	ILQVLPINFSBBFG-QPZWGXJQSA-N	396.452	0.243	30	1	GCEF	
C#CCN1C(=O)COc2cc(F)c(-n3nnc4c(cnn4CCC)c3=O)cc21	98082347	BAAUYDHSONOOPV-UHFFFAOYSA-N	382.355	0.885	30	1	GCEF	
C[C@@H]1C[C@@H](O)[C@@]23COC(=O)[C@]2(O)[C@H]2O[C@H]2C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	238764496	RXCXIMNHJACJBR-WJNVTSDDSA-N	390.388	0.716	30	1	GCEF	
CCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@@](O)(C(=O)c2ccccc2)[C@H]3O)o1	2356522599	MNZOUJCDZSUFOG-CEWLAPEOSA-N	397.383	0.973	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@]21O	263591225	NFHWFFQENCGSQZ-YLCMGEFKSA-N	376.405	0.801	30	3	GCEF	
C=C[C@]12[C@H](CC)OC(=O)C(=C)[C@@H]1[C@@H]1OC(=O)C(=C)[C@@H]1[C@H](OC(=O)CCO)[C@H]2O	2356508833	RZVMPVHNSFYQFW-BQEACQEKSA-N	392.404	0.433	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H]1C[C@H]2[C@]2(C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]2[C@H]3C(=O)O)C(=O)O1	2356525007	TUPQTEAXZZYYGA-WQBPQWPBSA-N	392.404	0.418	30	1	GCEF	
C=C(C(=O)O)[C@H]1[C@H](OC(=O)C(=C)[C@@H](O)CO)CC(=C)[C@@H]2CCC(CO)=C[C@H]12	2356847164	OUHXXXBKZQPLON-NNPSNHGLSA-N	378.421	0.969	30	1	GCEF	
C#CCN1C[C@H](N(C)CCOC(=O)c2cc3ccccc3[nH]2)CS1(=O)=O	96020621	SOFLOFSSZMQVAV-HNNXBMFYSA-N	375.450	0.904	30	3	GCEF	
CSCC[C@H](NC(=O)Cc1cccc(NC(=O)[C@@H](N)CS)c1)C(=O)O	26667942	LRDPXQAREBTFEK-STQMWFEESA-N	385.511	0.747	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27656923	ZIJMHFXHKCZCCK-DXZAWPFPSA-N	382.409	0.336	30	1	GCEF	
C/C(=N\OC[C@@H](O)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	96170328	KUMSNGMQFQVMGX-ZWGXDWAISA-N	393.407	0.912	30	1	GCEF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)N2C[C@@H]3C[C@]3(C#N)C2)C1	261126890	KITABLLENVFMQT-JRATXPSKSA-N	387.469	0.605	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H](OC(=O)C(=C)CO)C1	2356628263	MSWZYJMTCURMLM-QOTRURMSSA-N	380.393	0.579	30	1	GCEF	
O=C(O)c1ccc(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)cc1	207074456	MZGGYBVJMCPSIY-QWRGUYRKSA-N	385.354	0.326	30	1	GCEF	
N#Cc1cccc(CN[C@@H]2CO[C@H](CNS(=O)(=O)c3ccccc3)[C@@H]2O)c1	2356311421	OQUWELAMJKLRDJ-GUDVDZBRSA-N	387.461	0.755	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@H]12	2356755487	PQMWCHJGFCQNRD-YKEYSAJTSA-N	376.405	0.899	30	1	GCEF	
C[C@@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)cc21	219509193	CFLBIYUFBUMQSE-ODXCJYRJSA-N	380.404	0.412	30	1	GCEF	
C[C@@H]1C[C@H](O)[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@@]12C[C@H](c1ccco1)OC2=O	2356425631	QHSCKUHYGHIDLV-FMYMUQERSA-N	390.388	0.716	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@@H]3[C@H]([C@H](O)[C@H](O)[C@@]4(C)O)[C@@]2(C)C1=O	2356709466	FWRJMYHVRDNRRQ-BMIRSXNLSA-N	380.437	0.412	30	1	GCEF	
CC(=O)O[C@H]1C[C@@]2(CO)[C@@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2	34096936	UROCTWOJYLMRHO-BKVIYUTGSA-N	382.409	0.096	30	1	GCEF	in-man
CCNc1nc(C#Cc2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49109923	OVWITDYOKXEQLX-RKURPORMSA-N	395.419	0.269	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)/C(CO)=C/[C@H]2OC(=O)[C@@H](COC)[C@@H]21	103559982	NFTKOFUBUQZORK-KOHYINLCSA-N	392.404	0.843	30	1	GCEF	biogenic,in-vitro
CC(=O)OC[C@]12[C@H](C=C(C)[C@H](O)[C@@H]1O)O[C@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2	257457886	JSKXQQKSUOVSKS-YISWTCPOSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@H]21	2356485273	ZMEFVYTUBDLSJT-JEGNEPSBSA-N	376.405	0.661	30	1	GCEF	
O=C(N[C@@H](Cc1ccccc1)C(=O)NO)N[C@@H](Cc1ccccc1)C(=O)NO	84690784	YLEMAUWUWDHKAI-HOTGVXAUSA-N	386.408	0.519	30	1	GCEF	
CNCc1cccc(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)c1	207069348	LKSGIIAFXARDKX-STQMWFEESA-N	384.414	0.348	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2cccc(-n3nc(C(N)=O)c4cccnc43)c2)C1=O	1857754536	QRHDTFFVGFIUKH-FQEVSTJZSA-N	375.388	0.464	30	1	GCEF	
C=C(C)[C@H]1CC[C@]2(C)[C@H](O)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356424417	VGMXDSYTGIFDBM-KJCDTDNYSA-N	398.496	0.491	30	1	GCEF	
C=CCNC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(F)cc21	28651480	HJGNXUCTBWMEPQ-HKWRFOASSA-N	377.445	0.816	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3cccc4ccccc34)[C@H]12	2356837538	LKKYRIRZPNIPJU-QTUASDBPSA-N	395.484	0.763	30	1	GCEF	
O=C(C=Cc1ccccc1)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2356448793	OWEQIVOUCFSICJ-VIYGXFRKSA-N	386.400	0.761	30	1	GCEF	
C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@@H]1CC(=O)[C@@H]2C	2356617795	RSMYKTKKFRLXQD-DLFDGGKESA-N	376.405	0.708	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@]12F	254071309	SXQQMCLQCSKJNC-FUYORGBVSA-N	396.455	0.845	30	3	GCEF	
CC(=O)O[C@@H]1C2=C(C=C3C(=O)c4c(O)cccc4C(O)=C32)C(=O)[C@](C)(O)[C@@H]1O	28540817	ORBJGHYACRGKCY-RLLQIKCJSA-N	384.340	0.721	30	1	GCEF	biogenic
C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@](O)(C(=O)C[C@H](C)O)[C@@H](C)[C@H](O)C[C@H]12	40413329	CFNPAWULBAZKEI-NQGHXPHWSA-N	398.452	0.514	30	1	GCEF	
CO/N=C(\C(=O)N[C@H](C(=O)O)[C@@H]1NC(C(=O)O)=C(C)CS1)c1ccco1	103536170	XTOFBDKWRLNHGR-LHLQUDMSSA-N	383.382	0.221	30	1	GCEF	in-vitro
CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC3(O)CCC3)cc1-2	215761806	QRGXNJDEIXQRDF-UHFFFAOYSA-N	398.394	0.807	30	1	GCEF	
C=C(C)[C@@H]1CC[C@]2(C1)C(C)=CC(=O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	2356488007	VKWPHWWPBMZQKB-YQELUMDCSA-N	396.480	0.699	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@@H]21)CO[C@H]3O	2356589851	VPZCNCFYAPSUAL-FPGLTXJFSA-N	378.377	0.141	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356715928	XOJYVZGODJPTEG-AANAOERPSA-N	396.436	0.076	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	2356761245	RANGFOQREJPKIH-IQPAKEGGSA-N	380.393	0.304	30	1	GCEF	
O=C1N2C[C@@H](CC[C@H]2Cn2cc(-c3cccnc3)nn2)N1OS(=O)(=O)O	1857578919	QLGVQDVBFRYKPP-NWDGAFQWSA-N	380.386	0.343	30	1	GCEF	
N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](OCC(N)=O)CO[C@H]43)n2)c1	2356841274	NGLUFKDUBBBGEP-MXSMSXNCSA-N	381.392	0.464	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	1570837	FAQMCKSIBZGZIB-GOKFXCSCSA-N	380.393	0.304	30	1	GCEF	
C#C[C@H](CC(=O)O)NC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O	3985773	ZNBWKHIYCLLIHV-JKSUJKDBSA-N	398.463	0.814	30	1	GCEF	
CSCC[C@H](NC(=O)CCCCCCNC(=O)[C@@H](N)CS)C(=O)O	26666011	ZMTILBPFJCBPIT-RYUDHWBXSA-N	379.548	0.633	30	1	GCEF	
CN(C)CCCN1CC(=O)N[C@@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	40954623	SMIFZCXTQFKPNJ-HXUWFJFHSA-N	399.472	0.715	30	1	GCEF	
C=C(CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)COC(=O)C=Cc1ccccc1	2356611962	PJOFVVRGQAIWEF-XZEJUNMKSA-N	394.420	0.006	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2[C@@H](CCN2Cc2ccc(OC)cc2)N1C	2356815427	CRAYVYCFUGNJAO-YFVAEKQCSA-N	398.507	0.598	30	1	GCEF	
CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)[C@@H](O)[C@H](O)[C@@H]21	5497109	VXMGWBBELIEFKJ-QZQTZWBHSA-N	388.372	0.426	30	1	GCEF	in-vitro
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](O)[C@@]1(C)[C@@H](C)[C@H]2OC(C)=O	2356427161	QVPZCCBUSKOYDY-MDFMKQNHSA-N	396.436	0.735	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@]4(O)[C@H](C)[C@H](O)[C@H](O)[C@H]([C@H]34)[C@@]2(C)C1=O	2356488420	LXOOTOQKADUTAC-WOOITTAQSA-N	380.437	0.412	30	1	GCEF	
CC(=O)O[C@H]1C[C@]2(CO)[C@@H](C=C1C)O[C@H]1[C@@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@]12CO2	34096934	UROCTWOJYLMRHO-DMPCJOICSA-N	382.409	0.096	30	1	GCEF	in-man
CC(C)[C@H](NC(=O)N[C@@H](CS)C(=O)NC[C@H](N)Cc1ccccc1)C(=O)O	40977096	OIWXQADGSMPYNK-ILXRZTDVSA-N	396.513	0.379	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)CC[C@H]3O[C@@]3(COC(C)=O)C[C@H](OC(C)=O)[C@@H]12	238770938	AMOCTMOKYBTADW-KBNDMIQYSA-N	380.393	0.819	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(C)=O)CC(COC(C)=O)=CCC[C@]1(CO)O[C@@H]21	2356486796	DUTVXWKDWRTKRZ-OYNZLANYSA-N	380.393	0.819	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@H]12)O3	2356602781	LNRVVOBVXXPDNC-VMOJUYBOSA-N	394.420	0.752	30	1	GCEF	
O=C(N[C@H]1CCC(=O)N2CC[C@@H](C(=O)O)N2C1=O)[C@@H](S)Cc1ccccc1	26178984	DQZOBCXSUVKSEO-IHRRRGAJSA-N	391.449	0.235	30	1	GCEF	
NS(=O)(=O)c1cccc2c1C(=O)C(SCCO)=C(SCCO)C2=O	96914783	APCMVHYTSUTWQR-UHFFFAOYSA-N	389.476	0.376	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@H](COC)[C@H]21	2356580215	NFTKOFUBUQZORK-ICHPOFKISA-N	392.404	0.843	30	1	GCEF	
N#Cc1ccc(Cc2ccc3c(c2)[C@]2(OC3)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	95552357	SXDBPOMGXXFOGD-ADAARDCZSA-N	383.400	0.306	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@]2(C)[C@H]([C@H](C=O)CC[C@H]2O)[C@@H](O)[C@@H]1C(=C)C(=O)OC	238743520	AXTHWXPLSBCNCK-FYALYEGMSA-N	396.436	0.149	30	1	GCEF	
CCCCCCCCNC(=S)N1C[C@H](NC(C)=O)[C@H](O)[C@H](O)[C@H]1CO	1772599320	OGAPJXHWULCOJW-XUWVNRHRSA-N	375.535	0.124	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12	2356637012	DPWFMICLQOCEEX-HEYUEXJBSA-N	392.404	0.816	30	1	GCEF	
CCC[C@@H]1O[C@H]([C@H](O)C(N)=O)C[C@@]23O[C@@]12C(=O)c1c(O)cc(OC)cc1C3=O	2356714742	IQMIEGKPWKDDCT-BCGVMYJISA-N	391.376	0.091	30	1	GCEF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@H]3CO[C@@H](C/N=C/N(C)C)C3)[C@H](C)[C@H]12	26834376	QFNTZGGFKYDAMX-OMJFZLHNSA-N	397.497	0.621	30	1	GCEF	
COC1(OC)C[C@H](C)[C@@]23O[C@]24C2=CC(=O)C=CC2=N[C@H]3C#C/C=C/C#C[C@]14O	105522008	OAGMOQFBOHDCHJ-NPZZILAGSA-N	377.396	0.719	30	1	GCEF	
C=C1C[C@H](OC(=O)C(=CCO)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C=C[C@]2(C)O	2356287489	KNBQELVVKBFJKR-VRCAPQLRSA-N	376.405	0.420	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H](O)[C@]3(C)CCC(=O)[C@@](C)(O)[C@H](O3)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356613691	UTMNEQUXFHWOKE-SHBKNEMZSA-N	394.420	0.595	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(CO)\C=C/[C@H]3O[C@@]3(C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12	238762410	PJPPGFOTUNLSNL-AOESFFGMSA-N	376.405	0.971	30	1	GCEF	
N#Cc1nc(Cl)cc2nc([C@@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c12	587221525	VXFJZQBAIDHLFD-NKWVEPMBSA-N	394.775	0.307	30	1	GCEF	
C=C1C(=O)OC2=C(C)CC3=CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(=CC)CO)[C@H]12	2356782993	KRDOIFUKTCEIJK-WVSUBDOOSA-N	390.388	0.847	30	1	GCEF	
Nc1nc(C#CCCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	26378022	LIEDMTGTABXUMA-XXHPDZBISA-N	387.440	0.342	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	40718571	RNXXTXZMLODQHB-YDYCJUJBSA-N	398.496	0.922	30	1	GCEF	
CC1=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](O)[C@@H]2C(C)=CC[C@H](O)[C@]2(C)[C@@H](O)[C@@H](O)C1	2356588491	WUKXQWFCPWEFDX-BKPMAINOSA-N	380.437	0.206	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CO)C[C@@]1(C)[C@@H]2[C@@H](C(=O)O)CC[C@H]1O	2356674476	JPYFFTKCSKPWHH-NBAXHXFTSA-N	382.409	0.506	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@]1(O)C=C[C@](C)(O)[C@H]21	2356453703	INZYZLOQCFZVFR-APJTUZKOSA-N	378.421	0.785	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12	238756970	JAMSYNVVOFKKIY-XUZDSHCNSA-N	378.421	0.931	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(C)cc3)[C@@H]21	2356845288	ODEKTDCIWUUFQV-HMDCTGQHSA-N	375.494	0.813	30	1	GCEF	
CCC(=O)Nc1cccc(C2=NO[C@@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1	13478991	YOIPVHWFVIWVBY-BEFAXECRSA-N	383.408	0.898	30	3	GCEF	
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	59206138	FQTLNSKVFLETSS-QBCIWLIXSA-N	394.420	0.967	30	1	GCEF	in-vitro
N#C[C@H]1[C@H](c2ccc(-c3cncnc3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1	95664652	BGDYSSQWKBYNJL-ZJOUEHCJSA-N	393.447	0.655	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@@H]1C(C)C	2356417884	PKFUSHXXVZSPEC-AYCDZVMBSA-N	398.452	0.682	30	1	GCEF	
CC1=C[C@@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@@](C)([C@]2(CO)C[C@@H]1OC(=O)CC(C)C)[C@]31CO1	65748759	DDAUKBBLCGQHIP-FNJQTMKGSA-N	382.453	0.551	30	1	GCEF	in-man
CC=C1C[C@]2(COC(C)=O)O[C@]2(C)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@H]23	2356438030	PSLAXCVGXXVNFJ-XAMWDVODSA-N	391.420	0.897	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NCc3ccc(N(C)C)cc3)CN21	2356859615	SWHAHJWSEICHDZ-RLLQIKCJSA-N	397.523	0.313	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H](O)[C@]1(C)[C@@H]2[C@@](C)(O)CC[C@H]1O	238764760	SVFPCVAHUZWSGH-LNCRVRSESA-N	380.437	0.865	30	1	GCEF	
CC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C=O)CCCCN)C(C)C	40465029	GRTWEYRCFAVSEC-BRWVUGGUSA-N	384.521	0.491	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@@H]2O)C(CO)=C[C@H]2OC(=O)C(=C)[C@H]21	2356678848	VTEAXXDANDDCCN-IHRPUDPBSA-N	380.393	0.123	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1[C@H](C(=C)C(=O)OC)CC[C@@]2(C)[C@H](O)C[C@H](O)C(=C)[C@H]12	238766767	WTUJWAGXQOPSNS-WUMBSXJCSA-N	380.437	0.890	30	1	GCEF	
CC(=C(O)CO)[C@@H]1OC(=O)C=C2[C@]3(C)[C@@H]4O[C@@H]4C[C@@H]4C(=O)O[C@H]([C@@H]43)[C@H]3O[C@]213	2356493781	GTLXGEXLDIMHND-IQEGYTRBSA-N	376.361	0.149	30	1	GCEF	
C=C1[C@H](O)[C@@]2(O)OC[C@]34[C@H]1CC(=O)O[C@@H]3C[C@H]1C(C)=CC(=O)[C@@H](O)[C@]1(C)[C@@H]24	5305957	WBBVXGHSWZIJST-VZEWIXTPSA-N	376.405	0.086	30	1	GCEF	
N#Cc1cc2c(n([C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCCC2	17259094	UKPICPQZFRGKQT-QEOTZNIISA-N	380.466	0.721	30	1	GCEF	
Cc1ccc(S(=O)(=O)/N=C(\O)N[C@H](CCCCNC(=N)N)C(=O)O)cc1	31901251	JRDPWGBJEXONCV-GFCCVEGCSA-N	385.446	0.294	30	1	GCEF	
NC(N)=NS(=O)(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	73167485	HTELUAOUADPLLL-UHFFFAOYSA-N	393.381	0.574	30	1	GCEF	
CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)[C@H]1CN	299822724	CCRZGHRYQSQCDZ-XGRPOSTHSA-N	393.350	0.666	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12)O3	523042153	PBHKMDBIOFKKFO-AHLMOBMRSA-N	396.436	0.593	30	1	GCEF	biogenic
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)[C@@]2(O)C(=O)CO	2356543481	SQPRYYSTJMNHSK-COCVYKNRSA-N	378.465	0.752	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H](O)C[C@@H](OC(=O)CC(C)C)[C@H]1[C@@H](C)[C@H]2O	2356631790	OKSQNWDMNROCEX-RISBHGBOSA-N	382.453	0.801	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12CO[C@@H]4O[C@H](O)[C@](C)(CC[C@@H]1OC3=O)[C@H]42	2356786682	SJWINKDBDHFDEN-ZIODTMCZSA-N	376.405	0.532	30	1	GCEF	
CC(C)C[C@H](NC(=O)c1cccc(C(=O)N2CCN(C)CC2)c1)C(=O)NCC#N	82061381	VKMANYFOJOMPHB-SFHVURJKSA-N	399.495	0.858	30	1	GCEF	
Cc1nc(N)c2nc(N=[N+]=[N-])n([C@@H]3O[C@@H]4CO[P@@](=O)(O)O[C@H]4[C@H]3O)c2n1	169339030	LVRCYVDIAVKHHQ-KQYNXXCUSA-N	384.249	0.433	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC[C@H]2[C@@H](O)[C@@]3(C)OC4=C(C(=O)O[C@@]42C[C@@H]3CO)C1=O	2356335438	ZTMDLJADCRURSE-OIHBCHFRSA-N	378.421	0.909	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12	2356637120	HUSWYTADELXPIC-XDNAFOTISA-N	378.421	0.954	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(C)[C@@H](O)CCC(=C)[C@@H]21	2356674845	WLFVPPSXKYSJGO-SPABQMGBSA-N	378.421	0.644	30	1	GCEF	
C#C[C@H](CC(=O)O)NC(=O)Cn1ccc2ccc(N3CCNCC3)cc2c1=O	13760122	LJZHSZZBSGPRLB-OAHLLOKOSA-N	382.420	0.004	30	1	GCEF	
CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	49124579	OARASXRFGSHMDZ-HOCLYGCPSA-N	376.482	0.751	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@@]4(C)O[C@@H]4C)[C@@H]12)O3	523041386	LNRVVOBVXXPDNC-SRWFWHJJSA-N	394.420	0.752	30	1	GCEF	biogenic
C[C@]12C[C@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]13COC(=O)C1=C[C@H](O)[C@H]1O[C@]123	2356726209	IMRLVMUNXUFBQB-SMFGWGFPSA-N	388.372	0.781	30	1	GCEF	
O=C(CCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO	103232980	QMGDCUHFYVMSBA-GJZGRUSLSA-N	390.440	0.844	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC(=O)[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]12	2356379948	MEMMEVBUUCPXSU-PVYJTOEFSA-N	394.420	0.354	30	1	GCEF	
CONC(=S)N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Cl)cc21	66079661	CSZHLIIEQQDNEV-LGMDPLHJSA-N	383.861	0.706	30	1	GCEF	
Cc1nc([C@](C)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)CO)n[nH]1	215738134	JIZVMAYJOZDNSM-HXUWFJFHSA-N	392.419	0.770	30	1	GCEF	
Cc1nccc2[nH]c(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)nc12	586940381	OGNFAAOJZKCTJD-UHFFFAOYSA-N	384.421	0.733	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](OC(C)=O)[C@H]1[C@@H](C)[C@H]2O	2356428988	FQCOUKWLWDFEQU-JOEUCKBLSA-N	382.409	0.345	30	1	GCEF	
CC(C)NC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#CCN(C)C)cc1)[C@@H]2CO	95869546	MQRMNHBIWMSUQW-DYXWJJEUSA-N	398.507	0.689	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](C)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238734672	BDYSVDKPQDAEPO-ZHJRCVNISA-N	384.469	0.088	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356690909	PWSUYVPATIVWCL-FUUAXTEJSA-N	398.452	0.156	30	1	GCEF	
CC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560250	UQZKUCCETSAJQQ-MRLBHPIUSA-N	381.477	0.035	30	1	GCEF	
N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]1C[C@H](NS(=O)(=O)c2ccc(Cl)cc2)CN1	14948920	VLFPNEGRKDEGFL-QTZPLXLNSA-N	394.884	0.862	30	1	GCEF	
Cn1c(=O)c(=O)n(Cc2ccccc2C#N)c2c(N3CCC[C@@H](N)C3)ccnc21	299829371	JMFONLSPFSQMSR-MRXNPFEDSA-N	390.447	0.943	30	1	GCEF	
COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)C=CC[C@@H](C)OC2=O	2356487067	NWBBODCXRAHUEM-HKFZXTEASA-N	380.393	0.819	30	1	GCEF	
COC1=C/C(=C\Nn2cnnc2NN/C=C2\C=CC(=O)C(OC)=C2)C=CC1=O	60210813	XDERMLBBPPDYHM-FMYPVGJQSA-N	382.380	0.844	30	3	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12	523041494	HUSWYTADELXPIC-WGBGBEOUSA-N	378.421	0.954	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@]1(C)[C@H](O)CC[C@](C)(O)[C@@H]21	2356545450	SVFPCVAHUZWSGH-BUBGXOTPSA-N	380.437	0.865	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(=CCO)CO)[C@@H]12	2356653472	DWAUXXXGNFAKQL-XILPYWAXSA-N	394.420	0.166	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@@]1(C)[C@@H]2[C@]2(CC[C@H]1OC(=O)C(=CC)CO)CO2	2356665436	GYTQOYJFIYKHCR-MKFHVVEZSA-N	378.421	0.885	30	1	GCEF	
CCCCCCC/C=C\C(=O)O[C@H]1[C@H](O)[C@H](n2ccc(N)nc2=O)O[C@@H]1CO	169328152	BIBBVKUNGMHCAW-YVNGSZQASA-N	395.456	0.905	30	1	GCEF	
Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](O)CO3)no1	473233292	MMRJVLFFIHRZNO-UZLBHIALSA-N	394.387	0.953	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@H](O)[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@]3(CO3)[C@H]21	2356760873	SCYULBYWDDKXSN-AOBHSWNLSA-N	376.361	0.348	30	1	GCEF	
C=C1[C@@H]2CC[C@H]3[C@]45[C@@H](O)CCC(C)(C)[C@H]4[C@H](O)[C@@](O)(O[C@@H]5OC)[C@@]3([C@@H]1O)[C@@H]2O	96915224	IGWYEXHQPGSZHK-OZJHOVKHSA-N	396.480	0.140	30	1	GCEF	
C=CCO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)C4CCCCC4)C[C@@H]3C(=O)N2C1	2356317679	KSTWJXNMJYNXKZ-BRWVUGGUSA-N	375.469	0.792	30	1	GCEF	
Cn1c(=O)c2c(nc(N3CCC[C@@H](N)C3)n2Cc2ccccc2C#N)n(C)c1=O	3839213	XJNKUWDMCBZMTG-OAHLLOKOSA-N	393.451	0.281	30	1	GCEF	in-vivo
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@]4(O)C(=O)OC[C@@]31[C@@H]24	6488796	XCAPDGKSNAMUQC-XRFSQBOSSA-N	376.405	0.374	30	1	GCEF	biogenic,in-vitro
C[C@H]1[C@H]2O[C@]2([C@H](C)CO)[C@@H](O)[C@]23O[C@H]2C[C@H]2C4=C(CC[C@]25O[C@@]153)C(=O)OC4	2356627571	NFGOHYJHDNTTSQ-AFJCBJDKSA-N	376.405	0.076	30	1	GCEF	
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@@H](OC=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	40496374	AEPKEGZWKSHFOR-COKJOWCLSA-N	382.453	0.740	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@H]21	2356510196	PWJPDPKHMIOIIC-BYJGPTFXSA-N	376.405	0.659	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@]12CO2	2356761244	RANGFOQREJPKIH-BPFOSOSISA-N	380.393	0.304	30	1	GCEF	
CCc1ncnc(N2CCN(S(C)(=O)=O)CC2)c1C#Cc1ccc(N)nc1	169699818	UCMVQGINVPKUQE-UHFFFAOYSA-N	386.481	0.498	30	1	GCEF	
COc1cccc(-c2c(C#N)c3c(N)ncnc3n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1	73195638	WMSIXPCSBJXYOK-BVNXPQQUSA-N	397.391	0.172	30	1	GCEF	
C=C[C@]1(C)C[C@H](OC(=O)[C@@]2(CO)CO2)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO	238731508	KAPWIPXPRDGQEP-CCOVMOLUSA-N	396.436	0.127	30	1	GCEF	
CC1=CC(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)=NCC1=O	96173915	XKHOOOHELXQCNT-FQBWVUSXSA-N	395.839	0.367	30	1	GCEF	
N#Cc1nc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c2nc1C#N	586942878	RVTAZUWIFJQGTA-UHFFFAOYSA-N	388.800	0.666	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@]1(O)O[C@@H](C[C@H]1C)C[C@](C)(O)[C@@H]2OC(=O)C(C)C	1772646106	MBBCRMZJLXIWGT-NVZLRDNQSA-N	384.425	0.281	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(CO)=C1C[C@H](O)[C@@](C)(O)[C@H]12	2356459207	CITDRWAOOHPFCD-KOVNWGBHSA-N	378.421	0.787	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(=CCO)CO)[C@@H]12	2356653470	DWAUXXXGNFAKQL-TXJWRWGXSA-N	394.420	0.166	30	1	GCEF	
COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N=C(N)N)cc2)cc1	73166278	LJOHDYMWVFJPNR-UHFFFAOYSA-N	378.410	0.675	30	1	GCEF	
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1C(=C)CO	238758870	XIAXBMHXCXTVFY-YMWMWFIQSA-N	380.437	0.746	30	1	GCEF	biogenic
C=C1[C@@H]2C[C@H](O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(O[C@@H]5OC)[C@@]3([C@@H]1O)[C@@H]2O	255236206	MQFOWMSWYZXMPL-OJYNKCQCSA-N	396.480	0.140	30	1	GCEF	
CC1=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](O)[C@@H]2C(C)=CC[C@H](O)[C@]2(C)[C@@H](O)[C@H](O)C1	2356588492	WUKXQWFCPWEFDX-IZZMJNLLSA-N	380.437	0.206	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](C)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@@](C)(O)CO)[C@H]12)O3	2356597916	YPLCCQMLBSLPHF-ATVNRCFBSA-N	380.393	0.411	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H](C(=C)C(C)=O)[C@H](OC(=O)C(=C)CO)C2	2356615174	XIAJIWWHTWNYLB-RXFYRGCNSA-N	376.405	0.874	30	1	GCEF	
CCC[C@@H]1O[C@H]([C@H](O)C(N)=O)C[C@@]23O[C@]12C(=O)c1c(O)cc(OC)cc1C3=O	2356714745	IQMIEGKPWKDDCT-UPEVVCSUSA-N	391.376	0.091	30	1	GCEF	
COCc1cn([C@@H]2CO[C@@H]3[C@H](NC(=O)Nc4cccc(C#N)c4)CO[C@@H]32)nn1	2356855887	RUHCWEOGOHNWSF-QBPKDAKJSA-N	384.396	0.825	30	1	GCEF	
N#Cc1cccnc1N1CCN([C@@H]2CN[C@H](C(=O)N3CCC(F)(F)C3)C2)CC1	40407890	NOMKZQKLENFAJZ-HOTGVXAUSA-N	390.438	0.673	30	1	GCEF	
C[C@H](Sc1ncc(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	96269979	VNXZFASKVPZSSK-QMMMGPOBSA-N	379.423	0.408	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356474402	QOSNJOGSMDVGIL-LIWZQMIOSA-N	398.452	0.156	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@](C)(CO)C[C@@H]21	2356791715	IXDCDHNDDADZSP-WMVOPNASSA-N	392.448	0.988	30	1	GCEF	
C=C[C@H](C[C@@H]1C[C@@H]1NC(=O)[C@@H]1OC(=O)[C@H]1[C@@H](C)CC)NC(=O)[C@H](C)NC(C)=O	95591593	SIQLJSAWLUDVNW-DEWMUMHDSA-N	393.484	0.664	30	1	GCEF	
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@H]3[C@H](C)[C@]4(O)C(=O)OC[C@@]31[C@@H]24	238783495	XCAPDGKSNAMUQC-QVMFOWILSA-N	376.405	0.374	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356425230	JOBAOHFOADHRSC-KRMMXMMSSA-N	398.452	0.300	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)CC(CO)=C1C[C@@H](O)[C@@](C)(O)[C@H]12	238746998	CITDRWAOOHPFCD-DDOGPHGISA-N	378.421	0.787	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](OC(C)=O)[C@H]1[C@@H](C)[C@H]2O	2356428990	FQCOUKWLWDFEQU-XYEHQIQQSA-N	382.409	0.345	30	1	GCEF	
NC(N)=Nc1nc(C(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)cs1	28104059	JRIHZIHMJOARPI-UHFFFAOYSA-N	397.467	0.557	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	253693481	ZIJMHFXHKCZCCK-CTNLHAFUSA-N	382.409	0.336	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@H](C)[C@@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356416970	MGXGYVFGGBQQIP-JYWWSUNKSA-N	398.452	0.156	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C(=O)O[C@H](C)[C@](C)(O)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356778986	ISIOGBQKYACMTR-SHRPEWESSA-N	394.420	0.966	30	1	GCEF	
CC(=O)OC[C@]12[C@H](O)C(=O)C(C)=C[C@H]1O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2	5767579	RANGFOQREJPKIH-CHPZEFIJSA-N	380.393	0.304	30	1	GCEF	
CNC(=O)[C@@H]1CCCCNC(=O)CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1	13863580	IKFMCZJWBBXODH-MJBXVCDLSA-N	384.477	0.081	30	1	GCEF	
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n([C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1N	17260905	YCVBNENTOZMDIA-PWXKEOIMSA-N	384.417	0.822	30	1	GCEF	
CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1	35847317	MOWBUOOHZBNNQZ-SONRMIBWSA-N	386.456	0.512	30	1	GCEF	
OC[C@@H]1O[C@@H](O/N=C/c2ccc(OCc3ccccc3)cc2)[C@H](O)[C@@H](O)[C@H]1O	40548124	KYYOETBZDHJWBK-ASHSHPAKSA-N	389.404	0.416	30	1	GCEF	
C[C@@H]1C[C@]2(C)O[C@@H]2C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O	2356317902	ZRIQEDVCFTZLLQ-UJXUIQATSA-N	381.425	0.221	30	1	GCEF	
CC(=O)O[C@]1(C)C(=O)OCC2=CCN3CC[C@H](OC(=O)[C@]4(C[C@@H]1C)O[C@@H]4C)[C@H]23	2356673898	RBCAOQGTCQIAIE-NJNFUQFISA-N	393.436	0.975	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	27442614	RNXXTXZMLODQHB-GTXCAEGLSA-N	398.496	0.922	30	1	GCEF	
Nc1nc(C#CCCc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	26375851	DMSPOLNMPCSGKG-LKCJXIOFSA-N	395.419	0.004	30	1	GCEF	
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@@H](OC=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	169322187	AEPKEGZWKSHFOR-RPCCQMPLSA-N	382.453	0.740	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356425226	JOBAOHFOADHRSC-DCDABNRHSA-N	398.452	0.300	30	1	GCEF	
CCOC(=O)c1cnn(-c2nc(-c3cccc(O)c3O)c(C#N)c(=O)n2C)c1N	72184052	HMMNGNOGFPYXHV-UHFFFAOYSA-N	396.363	0.675	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1	95795886	GZUVWCYBIDXRNG-JAXLGGSGSA-N	375.428	0.999	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](O)[C@@]1(C)[C@@H]([C@@H](OC(=O)/C(C)=C\C)C[C@H]1O)[C@H](C)[C@H]2O	238736450	MPPUQBHRJQOHGA-KXIHVOMESA-N	380.437	0.721	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]3[C@@](C)(O)C=C[C@@]3(O)[C@@](C)(O)[C@@H](OC(=O)C(C)=CC)C[C@H]12	2356376413	SQRSEJMUWJOLCL-APJTUZKOSA-N	378.421	0.785	30	1	GCEF	
C=C(CO)CCO[C@@H]1O[C@H](COC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O	137727279	UWQYFRLKACSGMZ-KRWVDWDSSA-N	394.420	0.006	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)[C@@H]3O[C@@H]3[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356586945	SUBGEMJEVFBRLC-MUSRCFSTSA-N	392.404	0.372	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@]21O	263591224	NFHWFFQENCGSQZ-FMCGPQJNSA-N	376.405	0.801	30	3	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	102288570	FAQMCKSIBZGZIB-AGMWBROTSA-N	380.393	0.304	30	1	GCEF	
COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@@H]4[C@H]3[C@H]([C@H](O)[C@@H](O)[C@@]4(C)O)[C@@]2(C)C1=O	238766598	FWRJMYHVRDNRRQ-LVCDJISTSA-N	380.437	0.412	30	1	GCEF	
CC(=O)NCCCN([C@H](C)C(=O)NO)S(=O)(=O)c1ccc(F)c(C)c1	473145091	BEPIELCMQHKGPV-LLVKDONJSA-N	375.422	0.545	30	1	GCEF	
N#Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)[nH]c2cc1C#N	587218774	IKVKXJBOKYYFNM-MNOVXSKESA-N	384.352	0.130	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@H]1[C@H]2C(C)=C[C@@H]1O	2356381322	IKJCOTOCIDNGHA-ZDRBWGSPSA-N	376.405	0.420	30	1	GCEF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]21CO1	2356516844	LWDKIUHKLIZGEF-NHAGCDNQSA-N	376.405	0.661	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(CO)C[C@@H](OC(=O)C(=CC)CO)[C@H]12	2356461840	WBZULALSEKFYIU-XDCWJTEKSA-N	376.405	0.971	30	1	GCEF	
C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2[C@H](C)C(=O)C[C@@H]12	238743816	RSMYKTKKFRLXQD-VDRIGBRRSA-N	376.405	0.708	30	1	GCEF	
C[C@@H]1C[C@@H](O)[C@]23CO[C@](O)(CC[C@]2(O)[C@@]12C[C@@H](c1ccoc1)OC2=O)[C@]31CO1	169669931	ZPHWIHFEZZOGHC-YUHBELALSA-N	392.404	0.654	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@@]21O	254136664	ADBOAFOIAMBXJT-QFRVZKRPSA-N	376.405	0.803	30	1	GCEF	
CN1CC[C@@]23C(=O)C[C@]4(O)[C@@H]5[C@@H]2N(C(=O)C[C@H]5OC[C@H]2O[C@]24C1)c1ccccc13	238735515	LFRUIFVGLYORRJ-JGCJNFGPSA-N	396.443	0.235	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3	238758657	PBHKMDBIOFKKFO-IEXVORCVSA-N	396.436	0.593	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cc(N)c(N)cc3[nH]2)cc1	586940088	HTWPQBSONVHCBW-UHFFFAOYSA-N	399.436	0.194	30	1	GCEF	
CC(C)C[C@H](NC(=O)NCc1cn(Cc2cccc(C#N)c2)nn1)C(=O)NO	1857636779	SUAPQPYNNZDLPP-INIZCTEOSA-N	385.428	0.917	30	1	GCEF	
CC=CC=C[C@]1(C)OC(=O)C(C(=O)C[C@H](C)OC[C@@H](O)[C@@H](O)CO)=C1OC	2356407728	IVNYHQBSNJVKIG-FIIQBIKZSA-N	384.425	0.413	30	1	GCEF	
C[C@@H]1C[C@H](O)[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@@]12C[C@@H](c1ccco1)OC2=O	2356425634	QHSCKUHYGHIDLV-YAXQNEGTSA-N	390.388	0.716	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356743424	BDZHFCAKQIOKHS-CQWYJFLJSA-N	398.452	0.300	30	1	GCEF	
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	100778362	LKLDZCIWUDJQCF-RIIQQYSRSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
N#Cc1cc2c(nc1N1CCOCC1)sc1c(N3CCNCC3)nnnc12	27524585	VODXKLBJZKQZBN-UHFFFAOYSA-N	382.453	0.752	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(\CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3	238778926	PBHKMDBIOFKKFO-RPASFNDISA-N	396.436	0.593	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@](C)(O)C[C@@H](OC(=O)CC(C)C)[C@@H]12	523041684	NZVGAGHOTYPHNG-WIRVGOFHSA-N	380.437	0.961	30	1	GCEF	biogenic
CC=C(C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]1C(C)C	2356417886	PKFUSHXXVZSPEC-PYMGOFIGSA-N	398.452	0.682	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](O)[C@H](C)C3=CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]12	2356518005	BOSMSDXDJXIVAW-BSEIGKKESA-N	392.404	0.576	30	1	GCEF	
C=C(C)C(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@@H]2O)OC1=O	2356628561	XTUQPQRJSZRSDZ-JHQYFNNDSA-N	380.393	0.616	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	95727333	BBRSVMSGZNDGOR-FSZRXZPDSA-N	396.509	0.407	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(CO)=C1C[C@H](O)[C@](C)(O)[C@@H]12	2356459205	CITDRWAOOHPFCD-BSPRTOCGSA-N	378.421	0.787	30	1	GCEF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNCc3ccc(C#CCCO)cc3)O2)c(=O)[nH]c1=O	61922298	VWYURSLNXVSPBC-IPMKNSEASA-N	399.447	0.017	30	3	GCEF	
C#CCN1C[C@@H](N(C)CCOC(=O)c2cc3ccccc3[nH]2)CS1(=O)=O	96020620	SOFLOFSSZMQVAV-OAHLLOKOSA-N	375.450	0.904	30	3	GCEF	
CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NCCO)n2)cc1	38151256	KLYSOWZEHKSGHP-UHFFFAOYSA-N	389.437	0.273	30	1	GCEF	
N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(C(=O)Cc2cccnc2)CC1	48998439	NMJMOXBLZHCUOW-MRXNPFEDSA-N	388.497	0.216	30	1	GCEF	
COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCC4)C[C@H]23)cc1	95797710	KCHQXIBFRAJOHB-SBHAEUEKSA-N	382.460	0.982	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	27442609	RNXXTXZMLODQHB-ZDYLTCTCSA-N	398.496	0.922	30	1	GCEF	
C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N2	29334010	YBIFQUJWWDAUKV-HNNXBMFYSA-O	379.506	0.360	30	1	GCEF	
Cc1nnc([C@@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)o1	215751178	VVADFPPMSXQGLT-IBGZPJMESA-N	379.376	0.992	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@@H](O)[C@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3	238732464	PBHKMDBIOFKKFO-JLLCBYLYSA-N	396.436	0.593	30	1	GCEF	
COC(=O)[C@@]1(O)C=C(C)C2=CC(=O)[C@@]3(C)[C@H]4C(=O)O[C@H]([C@@H]4C)[C@H](O)[C@@H]3[C@]21C	238743168	UKYGHEWHLCCDTL-LEWRQVKHSA-N	376.405	0.541	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@H]3[C@]45[C@@H](OC)O[C@@H](O)[C@H]4C(C)(C)CC[C@H]5OC(=O)[C@@]3(C2)[C@@H]1O	2356671672	HKFUVWBDJGPQNK-BGLOYEFMSA-N	394.464	0.960	30	1	GCEF	
CO[C@]12Oc3c(cc(C=NO)nc3-c3ccccn3)O[C@@H]1O[C@H](C)[C@@H](O)[C@H]2O	2356791900	JCQWAYDGTXYFMH-GFCRHFMASA-N	389.364	0.532	30	1	GCEF	
C=CC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@@H]3[C@@H](N3C)[C@]1(OC)[C@H]2COC(N)=O	100998939	USIKNXKJPBTBMN-UEIKBGAKSA-N	388.424	0.348	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c(C[C@@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc2c1	587218420	JDGLGQNZVQKORO-ZJUUUORDSA-N	393.787	0.392	30	1	GCEF	
O=C(N[C@H]1CN([C@H](C(=O)O)c2ccc(O)cc2)C1=O)C(=NO)c1ccc(O)cc1	2356704927	NMMOYDKOFASOBV-HOCLYGCPSA-N	399.359	0.429	30	1	GCEF	
C=CCn1c(=S)n([C@@H]2O[C@H](CO)[C@H]3OC(C)(C)O[C@H]32)c2nc(N)[nH]c(=O)c21	27107258	ZDWHDAZRQFTRLI-QYVSTXNMSA-N	395.441	0.434	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@]2(C)OC(=CC2=O)/C(CO)=C\[C@H]2OC(=O)[C@@H](COC)[C@@H]21	85724606	NFTKOFUBUQZORK-TUQCUMLNSA-N	392.404	0.843	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)C)[C@@H]12)O3	2356412621	WBUYPTDEWJGFBU-LVPBSXMGSA-N	382.409	0.203	30	1	GCEF	
CC(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=C1C[C@]2(C)C(=CC1=O)CCC[C@H]2C	2356493686	BMEBQSNRADUDKN-AYKNNPORSA-N	396.480	0.845	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@]1(C)CCC4=C([C@H](O)OC4=O)[C@@H]1C[C@@H]1O[C@]13[C@@H]2O	2356840740	MUAOVIQJUITNMQ-NZJMJTQESA-N	376.405	0.422	30	1	GCEF	
CC1=C[C@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]34CO4)[C@]2(CO)C[C@@H]1OC(=O)CC(C)C	65748758	DDAUKBBLCGQHIP-REVXIWRXSA-N	382.453	0.551	30	1	GCEF	in-man
CCC[C@@](C)(COc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)C(=O)NO	221938299	QEPLYGRLRUAYII-HNNXBMFYSA-N	385.398	0.831	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	299809394	RNXXTXZMLODQHB-IOCCWPFESA-N	398.496	0.922	30	1	GCEF	
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(-c4ccc(Cl)cc4)ncnc32)[C@@H]1O	1857764815	JDSNHHUBRGXRPD-UOAMXJAYSA-N	386.795	0.762	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@@H]2[C@@H]2O[C@H]21)C(=O)OC	101132599	DJQAYXQSWDXHIP-ZVQXVQOJSA-N	393.436	0.576	30	1	GCEF	
CCOC(=O)[C@H]1O[C@]12CC[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	253884027	RUQQPVXMOKJQCG-MEJVKNBMSA-N	387.432	0.877	30	1	GCEF	
CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCC(=O)O)CC(=O)NO	13741985	NBDGYUOAVSOSOD-KGLIPLIRSA-N	379.413	0.227	30	1	GCEF	
O=C(NO)c1cnc(N2CCO[C@@H](CN[C@@H](/C=C/c3ccccc3)CO)C2)nc1	45358100	ZYAUSXQMBKTROG-VDZMMWBESA-N	399.451	0.465	30	1	GCEF	
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@@H](C)[C@H](CC(=O)O)[C@]13COC(=O)[C@H]23	238742671	HEARPDWGNHOTSL-NITVMZCKSA-N	392.404	0.714	30	1	GCEF	
CCC[C@@H]1O[C@H]([C@H](O)C(N)=O)C[C@]23O[C@@]12C(=O)c1c(O)cc(OC)cc1C3=O	2356714744	IQMIEGKPWKDDCT-PRBXQXPUSA-N	391.376	0.091	30	1	GCEF	
CNC1=C(C)C(=O)C(C)=C(C(C)(C)CC(=O)n2cc(F)c(=O)[nH]c2=O)C1=O	1612241	KXBBUWSRRKIONB-UHFFFAOYSA-N	377.372	0.694	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@H](C=O)[C@@H]1CC[C@@](C)(O)[C@H]12	2356595076	RVBQVNIEBNWSIX-KXJZVGHRSA-N	378.421	0.929	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@@H]2O)C(CO)=C[C@@H]2OC(=O)C(=C)[C@@H]21	2356678851	VTEAXXDANDDCCN-PVJFWNNRSA-N	380.393	0.123	30	1	GCEF	
O=C(O)CCC(=O)Nc1cc2cc(O)c(O)cc2[n+]2c1NCC[C@H]2C(=O)O	103554187	PKIXPGNFUHEBHN-JTQLQIEISA-O	376.345	0.783	30	1	GCEF	in-vitro
CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)[C@H]1O[C@H]12	238775795	MGXGYVFGGBQQIP-PAMUPXPHSA-N	398.452	0.156	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)CC(CO)=C1C[C@H](O)[C@](C)(O)[C@H]12	95911428	CITDRWAOOHPFCD-ZSJBWHKFSA-N	378.421	0.787	30	1	GCEF	biogenic,in-vitro
C=CCO[C@@H]1C[C@@H]2C(=O)N3CCN(C(=O)C4CCCCC4)C[C@H]3C(=O)N2C1	2356317681	KSTWJXNMJYNXKZ-ZACQAIPSSA-N	375.469	0.792	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H](C(=C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C2	2356455484	VFWBKWFDMSNXAX-IPCTWKPDSA-N	378.377	0.370	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@@H](C(=C)C(C)=O)[C@H](OC(=O)C(=C)CO)C2	2356615173	XIAJIWWHTWNYLB-JZBZHOAESA-N	376.405	0.874	30	1	GCEF	
C#CCc1c(O)n(Cc2ccccc2)c2nc3c(n2c1=O)C(=O)N(C)CN3C	34168922	CEZYWCDBRZPRLQ-UHFFFAOYSA-N	377.404	0.905	30	1	GCEF	
C=CCC(=O)Nc1c2n(c(=O)n(CC(=O)OC)c1=O)[C@H](c1ccccc1)CN2	82210546	YKMDTQKFLPCSKK-ZDUSSCGKSA-N	384.392	0.713	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)CC(=C)[C@@H]1[C@@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	169355369	NFHWFFQENCGSQZ-XTTXAHGOSA-N	376.405	0.801	30	1	GCEF	
Cc1ncc(COP(=O)(O)O)c(C/N=C(/C=C\OCCN)C(=O)O)c1O	685933099	OBCQKAZQAHYUOZ-DZQLAITLSA-N	389.301	0.220	30	1	GCEF	in-vivo
Nc1nc(C#CCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	26376292	RLHVEMZSFWQLLJ-XXHPDZBISA-N	387.440	0.342	30	1	GCEF	
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@@H](O)[C@]3(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12	238746736	PGUAGAYXKYJYDR-CIHCRBTESA-N	378.421	0.788	30	1	GCEF	
CCC=CC#CC#CC=CCCC(=O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356397527	CUYRSJRSYKHJDN-TXVWBRJLSA-N	392.448	0.072	30	1	GCEF	
CC(C)=CC(=O)C[C@@]1(C)[C@@H]2C[C@@H]1[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C=C2C	2356530919	MCGRKDOAKFPLLT-FGTFHBBTSA-N	396.480	0.699	30	1	GCEF	
CC(=O)CCC(=O)N[C@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O	40568473	AAZGZAPEWGKYOO-HUUCEWRRSA-N	380.466	0.972	30	1	GCEF	
N#Cc1cc2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1=S)CCCCCC2	263608857	UKPICPQZFRGKQT-BPKGMFCQSA-N	380.466	0.721	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@@H]2C(=C)C(=O)O[C@@H]2C=C(CO)CCC=C1C)[C@@H](O)CO	2356773013	OCQTZSWITIFTEM-XMTFNYHQSA-N	378.421	0.954	30	1	GCEF	
C=CCNCC1=C(C)C(=O)[C@]2(O1)C(=O)N[C@@](OC)(C(=O)c1ccccc1)[C@@H]2O	45497518	LSSASEXWXLDDEQ-MISYRCLQSA-N	386.404	0.090	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C[C@](C)(O)[C@@]1(O)[C@H]2[C@]2(C)O[C@H]2[C@H]1O	2356531527	BXHVKGAAZHPUIH-GGIJNVEFSA-N	396.436	0.076	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C=C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(=CC)CO)[C@H]12	2356640120	PJPPGFOTUNLSNL-YNIGFRRXSA-N	376.405	0.971	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@H](CO)C[C@H]21	2356791948	JECJZVUUVWHENH-AFDPBQNKSA-N	378.421	0.598	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1C[C@@H](O)[C@H](C)[C@@](O)(C(=O)C[C@H](C)O)[C@H]2OC(=O)[C@H](C)CC	34495775	CFNPAWULBAZKEI-BXRMODLJSA-N	398.452	0.514	30	1	GCEF	biogenic
C=CCNC(=O)[C@@H]1O[C@H](n2cnc3c(NC(CC)CC)ncnc32)[C@H](O)[C@@H]1O	36272689	VLURUACXSRDDGN-LWGWVAHUSA-N	390.444	0.348	30	1	GCEF	
COc1cc(O)c2c(c1)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)/C=C\C[C@H](C)OC2=O	169335079	NWBBODCXRAHUEM-JZROPKSASA-N	380.393	0.819	30	1	GCEF	
NS(=O)(=O)CCNC(=O)/C(Cc1ccc(O)cc1)=N/O[C@@H]1CCCCO1	1857542596	TVSBFABKPKRLPK-WBFOAEISSA-N	385.442	0.239	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@]21O	2356583341	QUSNLLJZMPVTTC-MTQFPOOYSA-N	392.404	0.014	30	1	GCEF	
CCCCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)[nH]1	44201875	DBHBIZXIRLVAKZ-WHTWZSQMSA-N	376.413	0.053	30	1	GCEF	
O=C1C(Cl)=C(N2CCN(CCOCCO)CC2)C(=O)c2c(O)ccc(O)c21	73242835	SLZAMBYMMUPSNT-UHFFFAOYSA-N	396.827	0.554	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	102337409	ZTDFZLVUIVPZDU-HOGDEQLHSA-N	378.421	0.954	30	1	GCEF	in-vitro
CCOC(=O)NC1=C(N2C[C@H]2C)C(=O)C(NC(=O)OCC)=C(N2C[C@H]2C)C1=O	255970357	DVLVSMSYUQZGPD-XUVRVGQDSA-N	392.412	0.462	30	1	GCEF	
Cn1c(=O)c2nc(N3CCC[C@@H](N)C3)n(Cc3ccccc3C#N)c2c(=O)n1C	14953962	CYAKDIJEPAWQMA-OAHLLOKOSA-N	393.451	0.281	30	1	GCEF	
C=C1[C@H]2C[C@]3([C@@H]1O)[C@H]1C[C@H]4[C@@]5([C@@H](O)C[C@@H](O)[C@@]4(C)CN(CC)[C@H]15)[C@@H]3C[C@H]2O	255272198	UUHRXVLKKDUSLH-NIUDVQOPSA-N	375.509	0.763	30	1	GCEF	
COc1ccc([C@H]2[C@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1OC	103131025	YJWAFVAWZVQNAA-KWQFWETISA-N	395.422	0.389	30	1	GCEF	
C=CCn1c(=O)/c(=C\c2ccccn2)s/c1=C(/C#N)C(=O)NC[C@@H]1CCCO1	5658304	MVCQQIBVPQLXKK-FKDPBUFWSA-N	396.472	0.289	30	3	GCEF	
Cc1ncn(-c2ccc(CN3C[C@H](N)[C@H](C(=O)N4CCC[C@H]4C#N)C3)cc2)n1	28955098	GKLKDWYNLKARAH-OTWHNJEPSA-N	379.468	0.849	30	1	GCEF	
C[C@@H](Sc1ncc(C#N)c(=O)[nH]1)C(=O)Nc1ccc(S(N)(=O)=O)cc1	96269980	VNXZFASKVPZSSK-MRVPVSSYSA-N	379.423	0.408	30	1	GCEF	
COC1=CC([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)=CC(=O)C1=O	40918339	XCOKRODRXOWJQI-MJQACMKBSA-N	384.340	0.944	30	1	GCEF	
C=C(C(=O)O[C@@H]1C/C(C)=C\CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]21)[C@H](O)CO	238789392	ZTDFZLVUIVPZDU-GBRQDQLHSA-N	378.421	0.954	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@@]12CO2	100824945	FAQMCKSIBZGZIB-YOLPFRQPSA-N	380.393	0.304	30	1	GCEF	endogenous,in-man
O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCN1	238785075	XOHMZXNFDYUBOA-UHFFFAOYSA-N	386.449	0.179	30	1	GCEF	
CC(C)CC(=O)N[C@H]1/C(=N/OC(=O)Nc2ccccc2)O[C@H](CO)[C@@H](O)[C@@H]1O	38279670	CNCUWUMEUHOGHK-JDOAOKHLSA-N	395.412	0.192	30	1	GCEF	
N#Cc1ccc2cc3c(=O)[nH]c(=O)nc-3n(-c3cccc(S(N)(=O)=O)c3)c2c1	96282690	BXAIUOQVYPUSEV-UHFFFAOYSA-N	393.384	0.698	30	1	GCEF	
N#C[C@H](Cc1ccc(N2CC3(CNC3)C2)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2	219312978	YUZUVEKDYNDTLN-RCJHGTSTSA-N	383.471	0.927	30	1	GCEF	
NC(N)=NCCCCCC(=O)N[C@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1	13580427	JLBREKNUZDZQDE-IRXDYDNUSA-N	388.516	0.107	30	1	GCEF	
C[C@@H](O)[C@H](N)/C(O)=N/S(=O)(=O)/C=C/c1cccc(-c2cc(N)ncn2)c1	95597106	KUPGDBTUKULRSA-ISPAPPPSSA-N	377.426	0.691	30	1	GCEF	
N#Cc1nc(C(=O)NCC(=O)O)c(O)c2ccn(Cc3ccccc3)c(=O)c12	169710935	MMEZWWRJAIFYFN-UHFFFAOYSA-N	378.344	0.836	30	1	GCEF	
O=C1NC(=O)/C(=C/C2=CN[C@@H]3/C(=N/C4CC4)N=C(c4cccc(F)c4)C=[N+]23)N1	1772631484	SWFCXWWWHGEOFZ-KRWDZBQOSA-O	379.375	0.767	30	1	GCEF	
C[C@@H]1C[C@](C)(O)C(=O)[C@@H]2O[C@@H]2[C@H]2[C@H](O)[C@@]3(C)OC4=C(C(=O)O[C@]42C[C@H]3C)C1=O	2356680325	DEDOORYCHRBMCA-WTLUGNFLSA-N	392.404	0.038	30	1	GCEF	
C#Cc1ccc(-c2cn([C@@H]3C=C(Br)[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1	96907894	CQAXHXIWLCDFSK-KLHDSHLOSA-N	376.210	0.843	30	1	GCEF	
C[C@@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O	142940014	FMUHXPKLGMHDNM-RHSMWYFYSA-N	382.416	0.993	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@]1(O)C[C@H](O)[C@@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@H]42	2356401197	WNCXXTYZZHJBOB-FERIYYPKSA-N	378.421	0.120	30	1	GCEF	
C=C(C)[C@@H]1C[C@@]2(C)C(=CC(=O)C[C@@H]2C)C=C1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670177	COXRJHSETJGOOL-BGLNFYTCSA-N	394.464	0.824	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H](CO)[C@]3(O)C[C@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)O3	100776752	SNUZCOSRHAIVKC-HJGUTLJWSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2C	238731229	VKWPHWWPBMZQKB-QUSIZRETSA-N	396.480	0.699	30	1	GCEF	
CC(=O)OCC1=C(C(=O)O)N[C@@H]([C@@H](C=O)NC(=O)Cc2cccs2)SC1	103530582	MXSQWXIVWHYOCY-IUODEOHRSA-N	398.462	0.539	30	1	GCEF	in-vitro
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2/C=C(/C)C(=O)O[C@@H](C)[C@](C)(O)[C@H]1O	238748824	WOCWXHOEKDDPHY-AFCYVJNGSA-N	380.393	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)C(=O)O[C@H](C)[C@@](C)(O)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238765764	ISIOGBQKYACMTR-QIFMYIMYSA-N	394.420	0.966	30	1	GCEF	
C=CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377815862	UMNPJUUKJGRLOE-UHFFFAOYSA-N	397.324	0.936	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@H](OC(=O)C(=C)CO)C1	2356628260	MSWZYJMTCURMLM-HLZFJGBKSA-N	380.393	0.579	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@](O)(C(=O)C[C@@H](C)O)[C@@H](C)[C@H](O)C[C@H]12	40413326	CFNPAWULBAZKEI-ZNUBMAPHSA-N	398.452	0.514	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@@]1(O)O[C@H]3OC	299862749	NUYJBFSDWBBTBE-VTVVTRBBSA-N	394.464	0.960	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@H]12)O3	523041385	LNRVVOBVXXPDNC-CWXLRIIGSA-N	394.420	0.752	30	1	GCEF	biogenic
Cc1ccnc2c1CCN[C@H]2c1ccc(B2OC(=O)CN(C)CC(=O)O2)cc1	963070969	ILDNJTDZCODWRR-IBGZPJMESA-N	379.225	0.352	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12CO[C@@H]4OC[C@@](C)([C@H]41)[C@H](O)C[C@@H]2OC3=O	2356733181	CORVIGTUSONGEO-XHWJHCJPSA-N	376.405	0.184	30	1	GCEF	
CN1CCC[C@@](O)(C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)C1=O	215746498	RAVYVINYAQLBPY-HXUWFJFHSA-N	398.394	0.515	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169364502	FAQMCKSIBZGZIB-XTZSBGGHSA-N	380.393	0.304	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@H](C)[C@H]12	2356563829	NSIQFTFECCWKID-NHGPQLKBSA-N	396.436	0.220	30	1	GCEF	
C=C(C(=O)O)[C@H]1[C@@H](O)CC(=C)[C@@H]2C[C@@H](O)C(=C)[C@H]2[C@H]1OC(=O)[C@@H]1CCCN1	2356692047	HDPVXRRHYPQQSU-HJGLJVKWSA-N	377.437	0.781	30	1	GCEF	
CC1=C2C[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@H](C)[C@@H]2CC1=O	2356417605	GEPTZQCOTWXOER-IZQJSECYSA-N	398.496	0.923	30	1	GCEF	
CNC(=O)[C@@H](/C=C/c1ccccc1)N1CCN(c2ncc(C(=O)NO)cn2)CC1	45354324	MAEKJEDTHYBXNG-IWAYRVGRSA-N	396.451	0.546	30	1	GCEF	
O=C(CCCCC[C@H](NC(=O)[C@H]1CCNC1=O)C(=O)Nc1ccccc1)NO	103232989	OBQXNVXJMUPSRH-GJZGRUSLSA-N	390.440	0.702	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)[C@H]2C[C@H](C(=O)NO)N(C(C)=O)C2)cc1	1772571078	YLKPSGUOQSEIGJ-JKSUJKDBSA-N	380.422	0.357	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27656921	ZIJMHFXHKCZCCK-PEAWQVFRSA-N	382.409	0.336	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(CO)=C\[C@H]2OC(=O)[C@@H](COC)[C@@H]21	85724604	NFTKOFUBUQZORK-VWKXZZMTSA-N	392.404	0.843	30	1	GCEF	biogenic
CC(=O)C1=C(O)C=C2O[C@]34O[C@@]3(C(C)=O)C(=O)C(C)=C(O)[C@]4(O)[C@@]2(C)C1=O	103025660	URWDTWBQFIXPCU-OWSLCNJRSA-N	376.317	0.091	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)[C@H](C)[C@H]21)CO[C@@H]3O	2356511671	GVDXNUSJGXJQEQ-OGWDALNHSA-N	380.393	0.221	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1C[C@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	2356568973	RDNBTHMQYKALRD-PIDULCJJSA-N	380.393	0.304	30	1	GCEF	
COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CCN3CCOCC3)c2)c1	25248031	ZLJDLKDCBZNPMT-UHFFFAOYSA-N	383.404	0.997	30	3	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O	205308514	GRTRHWLOIVWHQD-IBGZPJMESA-N	383.429	0.789	30	1	GCEF	
C[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-n2nc(C(N)=O)cc21	219492789	CFLBIYUFBUMQSE-YUNKPMOVSA-N	380.404	0.412	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@](O)(CO)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(C)=CC)[C@@H]12	2356657293	AQWYQKBXSZYHMI-TVZREWDASA-N	396.436	0.388	30	1	GCEF	
CC(=O)N[C@H]1[C@H](Oc2ccccc2-c2cccc(C#N)c2)O[C@H](CO)[C@H](O)[C@@H]1O	1857599835	SXFRUBQNDBAVBC-YMQHIKHWSA-N	398.415	0.548	30	1	GCEF	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	2356543484	SQPRYYSTJMNHSK-RNEWWQCISA-N	378.465	0.752	30	1	GCEF	
Cc1[nH]c(=O)nc(N/N=C/c2ccc(Cl)cc2)c1C(=O)NC(C)(CO)CO	6483466	AKIHUJSVRKJHOX-FBCYGCLPSA-N	393.831	0.651	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2ccccc2F)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73166483	IQCOJNKBPAKEOJ-QZKOUSHUSA-N	392.818	0.766	30	1	GCEF	
CC(=O)O[C@@H]1C[C@@]23[C@H]4C[C@H]5[C@@]6(C)CC[C@H](O)[C@@]5([C@H]4NC6)[C@@H]2C[C@H]1[C@]1(CO1)[C@@H]3O	2356711836	BVGZGEVHAANCGX-PGYKRSGHSA-N	389.492	0.843	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3	31959827	LJFIVFJQZWRSAJ-MFQSRMIGSA-N	394.420	0.513	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)[C@@]3(O)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	104589812	LJFIVFJQZWRSAJ-QQRZLROZSA-N	394.420	0.513	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(C)=O)[C@@]1(C)[C@@H](O)C[C@@H](O)[C@@]1(C)[C@@H](C)[C@H]2OC(C)=O	2356427160	QVPZCCBUSKOYDY-LJOLZYNMSA-N	396.436	0.735	30	1	GCEF	
CC(=O)O[C@H]1C=CC(=O)O[C@@H]1[C@H]1O[C@H]1C=C[C@H](OC(C)=O)[C@@H](C)OC(C)=O	2356504577	WSMOXQBLJXEQNX-KFJISPNZSA-N	382.365	0.607	30	1	GCEF	
COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=N/C3CCCCC3)N21	104188729	OWRTUIFQABVPLK-UWGANIEVSA-N	376.457	0.467	30	3	GCEF	
O=C(CCCCCCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1)NO	299869671	VBRNWKMPAQCYLH-UHFFFAOYSA-N	385.398	0.976	30	1	GCEF	
C[C@H](NC(=O)c1ccc(CN=C(N)N)cc1)C(=O)N1CCC(CC(=O)O)CC1	26182905	LEGPOEHUXZTKDU-LBPRGKRZSA-N	389.456	0.292	30	1	GCEF	
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC[C@@H](C)N)cc21	49125123	CGJRAACGTIIYDY-SNVBAGLBSA-N	385.428	0.932	30	1	GCEF	
CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@H]2C=C(CO)[C@@H](O)[C@H](O)[C@@H]21	100304902	VXMGWBBELIEFKJ-POFSUORWSA-N	388.372	0.426	30	1	GCEF	in-vitro
C=C1C(=O)O[C@@H]2[C@@H]3[C@H](C(=C)C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)[C@@H](O)[C@H](O)[C@]31CO1	238766623	RWDWCHAZOMBQBT-HRTLRMGBSA-N	376.405	0.659	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)C(=CC)CO)[C@@H]12)O3	2356377963	RBPBHKBVZNHLLE-TXDAXLQXSA-N	390.388	0.499	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(C)=CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	2356654108	NYQXKINSRDCSCG-RAXJPPKFSA-N	376.405	0.946	30	1	GCEF	
COC1=c2ccoc2=C(OC)C(=O)/C1=C1/C=C(c2ccc(OC)c(OC)c2)NN1	100526233	JOUHUETYEBGHAW-SAPNQHFASA-N	396.399	0.792	30	3	GCEF	
CN[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\OC	26377026	HXYQRTAEUSOQLE-JPHFOSBYSA-N	389.387	0.979	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@H](C)[C@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356488863	BNSRRGINQVIFFG-MRUUOIJTSA-N	398.452	0.156	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C)O2	95711015	RUTNGRJJPMAMRO-IIDMSEBBSA-N	375.469	0.861	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)CO)C[C@]1(C)[C@H](O)CC[C@@H](C=O)[C@@H]21	2356598212	JAMSYNVVOFKKIY-GZGZKKNKSA-N	378.421	0.931	30	1	GCEF	
C[C@H]1C[C@@]2(O[C@@H]2C)C(=O)O[C@@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O	15956563	CZQLULNMKQAIQL-DPHKTNCGSA-N	381.425	0.221	30	1	GCEF	
C#Cc1ccc(Nc2c(C)c(=O)n(C)c3ncn(C[C@@H](O)CO)c(=O)c23)c(F)c1	96167557	SJVCHFHKUPBUPB-CYBMUJFWSA-N	398.394	0.621	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@]1(O)CC=C(C)[C@@H]21	2356651894	HEAIOJBLGNUAOY-YNIGFRRXSA-N	376.405	0.564	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)C3=CC(=O)[C@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	238759718	VZEOYVPTUSFQTE-HJICQHKSSA-N	390.388	0.497	30	1	GCEF	
N#Cc1cccc(CN[C@@H]2CO[C@@H](CNS(=O)(=O)c3ccccc3)[C@H]2O)c1	2356311422	OQUWELAMJKLRDJ-QYZOEREBSA-N	387.461	0.755	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@H]1C(C)C	2356417885	PKFUSHXXVZSPEC-BEHZHLIESA-N	398.452	0.682	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(CO)C[C@H](OC(=O)C(C)=CCO)[C@H]12	2356507329	ZOPQKMWHSMFPHD-ZJPYXAASSA-N	378.421	0.954	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356715931	XOJYVZGODJPTEG-ZEIYVBEZSA-N	396.436	0.076	30	1	GCEF	
C/C=C(\C)C(=O)O[C@H]1C[C@@H]2[C@@]3(C)O[C@H]3[C@@H]3OC(=O)[C@@H](CO)[C@H]3[C@H](O)[C@]23O[C@]13C	146335673	CEWJOPKSFGXYQJ-QXHLJALSSA-N	394.420	0.094	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@]4(C)O[C@H]4C)[C@@]12O[C@H]3O	523041895	WFLSXZQWWJXMLO-KKZQVPAWSA-N	394.420	0.752	30	1	GCEF	biogenic
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@H](C)[C@@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356391056	IHWZOVIRSYMQAB-AANAOERPSA-N	396.436	0.076	30	1	GCEF	
CC(C)C[C@H](C(=O)NO)C(=O)N[C@@H](CC(=O)O)C(=O)NCc1ccccc1	13528370	JXOYCIWPPBHZCO-KBPBESRZSA-N	379.413	0.430	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)C/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	238755572	ZOPQKMWHSMFPHD-MPJBNCGOSA-N	378.421	0.954	30	1	GCEF	
CC(=C(O)CO)[C@@H]1OC(=O)C=C2[C@]13O[C@H]3[C@@H]1OC(=O)[C@H]3C[C@H]4O[C@H]4[C@]2(C)[C@H]31	2356493780	GTLXGEXLDIMHND-BIZVUIDPSA-N	376.361	0.149	30	1	GCEF	
C=C1C(=O)O[C@@H]2C3=C(C)CC[C@H](O)[C@]3(C)C[C@@H](OC(=O)C(=CCO)CO)[C@@H]12	2356737394	PGUAGAYXKYJYDR-VNWBIDQUSA-N	378.421	0.788	30	1	GCEF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(CC(C)C)C(=N)C3=O)N1C[C@@H]1N[C@@H]12	100801383	QHDPRGYWUREGRL-QJIICXBUSA-N	376.413	0.425	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@@]1(C)[C@@H](C[C@@H]4O[C@]43[C@H]2O)C2=C(C[C@H]1O)C(=O)OC2	2356866165	WECOTFPINDNFMA-ALXBRUGVSA-N	376.405	0.074	30	1	GCEF	
CC(C=C[C@@H]1C(C)=CC[C@H](O)C1(C)C)=C[C@H](O)[C@]12O[C@@H]1[C@H](O)C(CO)=C[C@@H]2O	2356747362	MFBZDUOKEXHQGD-OZWIYPJGSA-N	392.492	0.995	30	1	GCEF	
O=C(O)C1=C/C(=C\C=[N+]2/c3cc(O)c(O)cc3C[C@H]2C(=O)O)C[C@H](C(=O)O)N1	43769556	XHJKHSXHWJCBLX-YPMHNXCESA-O	389.340	0.163	30	1	GCEF	endogenous,in-man
CCCCCCCC[C@H](NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(N)=O	96904137	UVDIWILDTRFCBY-JYJNAYRXSA-N	394.516	0.977	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(N(C)C)cc3)S[C@@H]12	2356839352	LTNKVOKNMUIXQK-XAJHFOFHSA-N	388.493	0.496	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@@]1(C)[C@@H](C[C@@H]4O[C@@]43[C@@H]2O)C2=C(C[C@H]1O)C(=O)OC2	2356866171	WECOTFPINDNFMA-DSHYEHKTSA-N	376.405	0.074	30	1	GCEF	
CCCCCCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560222	SWAYIROKNUBACG-QPSCCSFWSA-N	383.493	0.283	30	1	GCEF	
C=C(C(=O)O[C@@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO	238771587	ZTDFZLVUIVPZDU-TXUCRXOOSA-N	378.421	0.954	30	1	GCEF	
COc1cccc(C#CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)c1	1857541818	KBNIBHPDMAYIOC-UHFFFAOYSA-N	379.420	0.310	30	1	GCEF	
C=C(C)[C@@H]1CC(=O)C[C@H]2O[C@](C)(CC2=O)C[C@@H](O)[C@@H]2O[C@]2(C(=O)OC)[C@@H](O)C1	49111105	LQKBZDWBXWSEMX-VWIABPQRSA-N	396.436	0.471	30	1	GCEF	
CN[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\OC	26377028	HXYQRTAEUSOQLE-MDUHSQENSA-N	389.387	0.979	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356533855	BHXJSTODGQOUCK-IEBFPQEESA-N	386.485	0.312	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	102288564	FAQMCKSIBZGZIB-YXEAJBBVSA-N	380.393	0.304	30	1	GCEF	
O=C(Cc1c[nH]cn1)N[C@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O	40567441	DEYWZUXMLTYEAB-HUUCEWRRSA-N	390.465	0.569	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)CO)C[C@@]1(C)[C@@H]2[C@@H](C=O)CC[C@H]1O	2356598213	JAMSYNVVOFKKIY-HLVUYRRWSA-N	378.421	0.931	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C=C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(=CC)CO)[C@H]12	2356640119	PJPPGFOTUNLSNL-ISIBIEBGSA-N	376.405	0.971	30	1	GCEF	
N#Cc1ccc(-n2ncc(=O)[nH]c2=O)cc1C(=O)NCC1(O)CCCCCC1	71331826	ZZOFEXUQGFWVTJ-UHFFFAOYSA-N	383.408	0.608	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(C#Cc3cccnc3)cc1)[C@@H]2CO	95795845	GZUVWCYBIDXRNG-URVUXULASA-N	375.428	0.999	30	1	GCEF	
CN1C(=O)N(CCN2CCOCC2)C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@H]1N	100931667	NOYOXJRPFGSERH-VUOWKATKSA-N	386.452	0.396	30	1	GCEF	
CC1=C[C@@H]2O[C@@H]3[C@@H](O)[C@@H](O)[C@](C)([C@@]2(CO)C[C@@H]1OC(=O)CC(C)C)[C@@]31CO1	14692891	DDAUKBBLCGQHIP-PNDNMGPMSA-N	382.453	0.551	30	1	GCEF	endogenous,in-man
C=C1[C@H](O)[C@@]23C[C@@]1(O)C[C@H](O)[C@@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42	2356401198	WNCXXTYZZHJBOB-HPDMCXRUSA-N	378.421	0.120	30	1	GCEF	
CN1CCN(c2nc(Nc3ccc(C#N)nc3)nc(N3CCN(C)CC3)n2)CC1	84689442	OJWDYEUFGIHYOB-UHFFFAOYSA-N	394.487	0.385	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@](O)(/C(C)=C\C(=O)/C=C(/C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O	195914278	NYQXKINSRDCSCG-HZHFPMJUSA-N	376.405	0.946	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)nc2c1	587222779	ZXMSUGOKKHJRLW-UWVGGRQHSA-N	393.787	0.912	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(C)[C@@H](O)CC=C(C)[C@@H]21	2356573947	GWJXGILYDSNHLU-SPABQMGBSA-N	378.421	0.644	30	1	GCEF	
NCCCC[C@@H]1NC(=O)[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)NC1=O	40828657	UVZYIPGMYNPHAQ-HXPMCKFVSA-N	385.445	0.549	30	1	GCEF	
CCC(=O)[C@@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@@H](O)[C@H]1O	49802997	MBXWXPUSFDNWKE-NHAYFPRASA-N	393.403	0.407	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	101336427	YOJOUEVWVFOYQS-IMECAPTFSA-N	380.393	0.544	30	1	GCEF	
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3[C@@H]2C[C@@H]2F)C[C@@H]1N	473172829	YUOSEXRAEHSGHZ-XFGCGPPASA-N	393.350	0.666	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1[C@H](O)[C@H](O)[C@](C)(O)[C@@H]12	2356286902	BBZPFHHMPSIYMT-YEMAKBFRSA-N	378.421	0.785	30	1	GCEF	
Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(O)n2n1	73199448	JGIPUZQWGWHNLZ-ZDUSSCGKSA-N	399.455	0.356	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@@H]1CC[C@@]2(O)C(=O)CO	2356625739	XUQWWIFROYJHCU-LZBRDQHESA-N	376.449	0.961	30	1	GCEF	
CC(=O)OC[C@]12C[C@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169372693	TVZHDVCTOCZDNE-OJGARCLVSA-N	382.409	0.096	30	1	GCEF	
C=C1C[C@@]23C[C@H]4[C@H]5[C@]67C[C@@H](OC(C)=O)C[C@@]5(C)CN4[C@@H]6[C@@]2(O)[C@@H](O)[C@@H]1[C@@H](O)[C@H]73	103556091	XGTNTUKODZZCGL-SLJYQBIJSA-N	387.476	0.450	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2[C@H]3[C@]4(CO4)[C@@H](O)C[C@H](OC(=O)/C(C)=C/C)[C@]3(C)C[C@H](O)[C@@H]12	238782109	LPMAKGLMXUQHNZ-RMUOONJPSA-N	378.421	0.883	30	1	GCEF	
C#CCN1CCN(Cc2cn(-c3cc(NC(=S)NCC)ncn3)cn2)CC1	1857634580	XYDCYQBHTMJALO-UHFFFAOYSA-N	384.513	0.719	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@]3(CO3)[C@H]21	2356529948	XPLDQUHNWMTPHP-LEBLXQRQSA-N	390.388	0.739	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)[C@@H]3O[C@@H]3[C@](C)(O)C[C@H](OC(=O)C(C)=CC)[C@@H]12	2356586944	SUBGEMJEVFBRLC-JMGKVXSBSA-N	392.404	0.372	30	1	GCEF	
CCCCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	43278922	OIMMRHBOIMZDAG-DQADVMEASA-N	375.429	0.342	30	1	GCEF	
CC1=C2C[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H](C)[C@@H]2CC1=O	2356417606	GEPTZQCOTWXOER-UUQPAVRTSA-N	398.496	0.923	30	1	GCEF	
COc1cccc(C=NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1OC	2356505144	UCOUCQHUBMZZFN-UHFFFAOYSA-N	399.407	0.487	30	1	GCEF	
C=C1C(=O)OC2=C(C)CC3=CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(=CC)CO)[C@@H]12	2356782992	KRDOIFUKTCEIJK-UJAMICLKSA-N	390.388	0.847	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3cccc4ccccc34)[C@H]21	2356837539	LKKYRIRZPNIPJU-RFZNHBKKSA-N	395.484	0.763	30	1	GCEF	
CC(C)C[C@@H](C(=O)NO)C(=O)N[C@@H](CC(=O)O)C(=O)NCc1ccccc1	13528367	JXOYCIWPPBHZCO-KGLIPLIRSA-N	379.413	0.430	30	1	GCEF	
C=C1CC[C@H](O)C(C)(C)[C@@H]1C=CC(C)=C[C@H](O)[C@]12O[C@@H]1[C@@H](O)C(CO)=C[C@H]2O	2356723360	GCFQOTAUBKKAQI-MTDDFFLCSA-N	392.492	0.995	30	1	GCEF	
O=C(N[C@@H]1CN([C@H](C(=O)O)c2ccc(O)cc2)C1=O)/C(=N/O)c1ccc(O)cc1	14614222	NMMOYDKOFASOBV-SGVSBHQISA-N	399.359	0.429	30	1	GCEF	
CCOC(=O)c1cnn(-c2nc(-c3ccccc3O)c(C#N)c(=O)n2C)c1N	72184051	NUESOLOSZWHMLE-UHFFFAOYSA-N	380.364	0.969	30	1	GCEF	
C[C@@H](O)[C@H](N)C1=N/C(=C\C2C=C(Cl)C(=O)C(Cl)=C2)C(=O)N1CC(=O)O	263620989	RQSXQZXPLLTSDM-XMJMQUNESA-N	388.207	0.348	30	1	GCEF	in-vitro
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356425228	JOBAOHFOADHRSC-FYNANDHISA-N	398.452	0.300	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1C[C@@H](OC(=O)/C(C)=C\C)[C@@](C)(O)[C@]1(O)C=C[C@@](C)(O)[C@H]21	238760981	SQRSEJMUWJOLCL-HNURMNRQSA-N	378.421	0.785	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1[C@@H](O)[C@H](OC(=O)C=C(C)C)C(C)=C1C[C@H]3O[C@@]3(C)[C@@]12O	238769145	GUWZDJYPWDNEPS-ZGQVSWNOSA-N	376.405	0.946	30	1	GCEF	
CC1=CC(=O)C[C@@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12	238777229	OZZNTAYWTGDTHK-UPQPGVJUSA-N	398.496	0.923	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@]4(O)[C@H]3[C@@H]([C@@H](O)[C@@H](O)[C@H]4C)[C@@]2(C)C1=O	2356488419	LXOOTOQKADUTAC-SWBYJTGMSA-N	380.437	0.412	30	1	GCEF	
N#Cc1cccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4OCC(N)=O)n2)c1	2356841275	NGLUFKDUBBBGEP-XYVMCAHJSA-N	381.392	0.464	30	1	GCEF	
N#Cc1nc(CNc2ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc2)cnc1N	27523198	ZZNNISDVNKTZAO-ZDUSSCGKSA-N	398.379	0.590	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]12CC[C@@]1(CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O1)O2	169642565	NMDKNHOJRXLMGG-BECBKZTQSA-N	384.425	0.032	30	1	GCEF	
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n([C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1N	254209857	YCVBNENTOZMDIA-DPAVQSFQSA-N	384.417	0.822	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@]21O	2356583340	QUSNLLJZMPVTTC-JEYRJENZSA-N	392.404	0.014	30	1	GCEF	
C[C@H]1C[C@@]23OC(=O)C4=C2O[C@]1(C)[C@H](O)[C@@H]3[C@H]1O[C@H]1C(=O)[C@@](C)(O)C[C@@H](C)C4=O	2356680324	DEDOORYCHRBMCA-SQQNIINUSA-N	392.404	0.038	30	1	GCEF	
C=C1[C@H](O)[C@@]2(O)OC[C@]34[C@@H](C[C@H]5C(C)=CC(=O)[C@@H](O)[C@]5(C)[C@@H]23)OC(=O)C[C@H]14	5305964	WBBVXGHSWZIJST-POGZENGCSA-N	376.405	0.086	30	1	GCEF	
CCOC(=O)[C@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccc(O)cc1	28635391	VRFYYTLIPKHELT-BBWFWOEESA-N	392.452	0.912	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	257543698	SNUZCOSRHAIVKC-LBNVMBOHSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
CC(C)NC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#CCN(C)C)cc3)[C@@H]2C1	95869544	MQRMNHBIWMSUQW-ZJOUEHCJSA-N	398.507	0.689	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@@H]3[C@@](C2)(C(=O)O[C@@H]2OC[C@@]4(C)CC[C@H](O)[C@@]23[C@@H]4C=O)[C@@H]1O	2356428127	YSDDLDRLPGAKFP-WVQOMRLMSA-N	378.421	0.166	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)/C(=C\C)CO)[C@@H]12	523041523	JAMSYNVVOFKKIY-SFNURSIESA-N	378.421	0.931	30	1	GCEF	biogenic
C=CCc1ccc(OCCCO[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)c(OC)c1	2178319860	DUIXHGJWRCDZLC-IEWDOMPSSA-N	384.425	0.009	30	1	GCEF	
C=C1[C@H](O)O[C@@H]2C=C(CO)C(=O)C=C[C@](C)(O)C[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356338451	XSGLXNFQZZURPT-VROUVPMXSA-N	378.421	0.953	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2ccc(OC)cc2)N1C	2356815425	CRAYVYCFUGNJAO-QFUCXCTJSA-N	398.507	0.598	30	1	GCEF	
CCCCCCC[S@@](=O)C[C@H](CO)NC(=O)/C=C/c1c(C)[nH]c(=O)[nH]c1=O	43781416	ZCEKSTLUIOWMST-YSCVAHGRSA-N	399.513	0.581	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)CC(=O)[C@@](C)(O)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238734376	MEMMEVBUUCPXSU-GROXXHRBSA-N	394.420	0.354	30	1	GCEF	
CC1=C2C[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@@H](C)[C@H]2CC1=O	2356417604	GEPTZQCOTWXOER-IEXHCZPVSA-N	398.496	0.923	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C=C[C@@H]3O[C@]3(CO)C[C@@H](OC(=O)C(=CC)CO)[C@@H]12	2356461837	WBZULALSEKFYIU-BAPGRXHISA-N	376.405	0.971	30	1	GCEF	
CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(=N)N	14651401	JRHGBVMMQSXTNA-HOTGVXAUSA-N	375.473	0.317	30	1	GCEF	biogenic
NC(N)=NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCCC1	26668685	RNILHXTYPZCUBP-CVEARBPZSA-N	380.537	0.445	30	1	GCEF	
N#Cc1nc(Cl)cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c12	586937236	XCOAGCKPOUKRAE-UHFFFAOYSA-N	390.812	0.914	30	1	GCEF	
CN1CCN(S(=O)(=O)c2ccc(N/N=C/c3ccc(O)c(O)c3)nc2)CC1	653799399	SEUQWTNGDTYOQN-YBFXNURJSA-N	391.453	0.875	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3cccc(C#N)c3)[C@H]12	2356861925	UVESXFJWDAVMOD-JJTUDDRGSA-N	386.477	0.376	30	1	GCEF	
C=C(C)C(=O)O[C@H]1C[C@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356646106	PTWUICAPVLZYIG-ZQEOTTOMSA-N	380.393	0.616	30	1	GCEF	
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC4CCC4)nc(N=[N+]=[N-])nc31)[C@H](O)[C@@H]2O	653799603	PBBMAUIXHJTJMZ-AJGIJSAOSA-N	399.415	0.761	30	1	GCEF	
C#CCn1c(=O)c2c(nc(/C=C/c3cccc(OC)c3)n2C)n(CCO)c1=O	13804950	PKIXGFKHUAYVRR-CMDGGOBGSA-N	380.404	0.701	30	1	GCEF	
O=C(O)C1=C/C(=C/C=N\[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@@H](C(=O)O)N1	100204071	YSNPSKZBOQYUHH-AFUNOPLTSA-N	390.348	0.506	30	1	GCEF	endogenous,in-man
CC[C@@H](C)C(=O)O[C@H]1C[C@@](C)(O)[C@@]2(O)[C@@H]([C@H]3OC(=O)[C@@H](C)[C@H]13)[C@](C)(O)[C@H]1O[C@H]12	255200477	BNSRRGINQVIFFG-UQMFQBOQSA-N	398.452	0.156	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@H]4[C@](O)(OC[C@@]4(O)C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)[C@H]1O[C@@]31C	523041508	IIXSMSPNCAECDY-AFQMOJDNSA-N	394.420	0.299	30	1	GCEF	biogenic
C=C(C(=O)O[C@@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@H]21)[C@H](O)CO	155826789	ZTDFZLVUIVPZDU-ZCKFZIGDSA-N	378.421	0.954	30	1	GCEF	
C=C(OC)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@@H]21)CO[C@@H]3O	2356616398	VRWCUUDDJCWFII-MDFYUQKCSA-N	378.377	0.753	30	1	GCEF	
C#C[C@H]1CC[C@@H](CN)N1C(=O)CNC1(C)CCN(c2cc(C(=O)O)ccn2)CC1	16052160	SDLYKSXRUIHFDH-IRXDYDNUSA-N	399.495	0.680	30	1	GCEF	in-vitro
C=C1C[C@]23C[C@H]1CC[C@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	238753207	FQTLNSKVFLETSS-NLQWBLSASA-N	394.420	0.967	30	1	GCEF	
NS(=O)(=O)c1ccc(NC(=S)NN=C2C(=O)Nc3ccccc32)cc1	1772606597	SEGXUNJRVJCXMH-UHFFFAOYSA-N	375.435	0.977	30	1	GCEF	
Cn1cc(-c2nn(CC3CCN(C(=O)CC#N)CC3)c3ncnc(N)c23)cn1	1857767701	UMCRCQRCEJRTSJ-UHFFFAOYSA-N	379.428	0.961	30	1	GCEF	
O=C(C=Cc1ccccc1)c1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2356448792	OWEQIVOUCFSICJ-TXVWBRJLSA-N	386.400	0.761	30	1	GCEF	
CC1=CC(=O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]12	2356456024	OZZNTAYWTGDTHK-NEVIZKSLSA-N	398.496	0.923	30	1	GCEF	
COC1=C(C)[C@]2(O)CC(=O)O[C@@H]3C[C@H]4CC[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@@]32C	653797808	LFJPBHSYRIOOSU-UOXOUPTOSA-N	378.421	0.909	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@]21O	17419109	ADBOAFOIAMBXJT-SLHUJJPWSA-N	376.405	0.803	30	1	GCEF	
NC(N)=NCCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1	26719952	GVUXJNGBBZMAPG-SJORKVTESA-N	388.516	0.107	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@@H]2[C@@H](/C=C(/C)C3=CC(=O)[C@@](C)(O3)[C@@H]1O)OC(=O)[C@@]21CO1	169401987	SCYULBYWDDKXSN-CNSLLKDDSA-N	376.361	0.348	30	1	GCEF	biogenic
C=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(C)[C@@H](O)CC=C(C)[C@H]2C1	2356430981	YCPOPAUEGHAQIJ-WSGLSMIWSA-N	398.496	0.493	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	139843940	RUQQPVXMOKJQCG-UFPDNPLJSA-N	387.432	0.877	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)C(C)=CC)[C@H]12)O3	2356408046	SNUZCOSRHAIVKC-MANUXINTSA-N	396.436	0.593	30	1	GCEF	
COCC1(COC)Oc2ccc(C#N)cc2[C@@H](Nc2ccc(=O)n(C)n2)[C@@H]1O	3812142	FMCCXEOPBHXPAO-MSOLQXFVSA-N	386.408	0.590	30	1	GCEF	
CN(C)CCc1cn(CCOS(C)(=O)=O)c2c1C(=O)c1ccncc1C2=O	71335233	DCLGOILZSIADOR-UHFFFAOYSA-N	391.449	0.739	30	1	GCEF	
COC(=O)[C@H](CCCN/C(N)=N/[N+](=O)[O-])[C@@H]1C(=O)C[C@H]2C1=CC(=O)CC2(C)C	87722633	WLLXUSAXZPDCPL-ZLDLUXBVSA-N	394.428	0.782	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1[C@H](O)[C@@H]3O[C@@]3(C)[C@@H]12	2356406358	UIXYMAJVRZFHBB-ZXLWBZEQSA-N	376.405	0.801	30	1	GCEF	
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3C=C(C)[C@H](OC(C)=O)C[C@@]3(CO)[C@]1(C)[C@]21CO1	257557511	UROCTWOJYLMRHO-LBGGWBJFSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C(C(=O)O[C@@H]1CC(C)=C(O)CCC(CO)=C[C@@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO	2356480994	YXSRKMIQVUZBKW-XWTMOSNGSA-N	394.420	0.840	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12CO[C@@H]4O[C@H](O)[C@](C)(CC[C@H]1OC3=O)[C@H]42	2356786680	SJWINKDBDHFDEN-FAJFMWNOSA-N	376.405	0.532	30	1	GCEF	
C=C1[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@@H]4[C@]23CO[C@@]4(O)[C@H]1O	2161372	WBBVXGHSWZIJST-CQPJIOCASA-N	376.405	0.086	30	1	GCEF	biogenic,in-vitro
C=C1C[C@@H](OC(=O)/C(C)=C/CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1[C@H](O)[C@H]1O[C@@]21C	95911429	PWJPDPKHMIOIIC-GVLWZAHYSA-N	376.405	0.659	30	1	GCEF	biogenic,in-vitro
CN1CC[C@@]23C(=O)C[C@@H]4[C@@H]5[C@@H]2N(C(=O)[C@@H](O)[C@@H]5OC[C@H]2O[C@]24C1)c1ccccc13	238761555	WBNAZDBBTHUIEK-VAOYBJKASA-N	396.443	0.091	30	1	GCEF	
CC(C)=CC(=O)C[C@@]1(C)[C@@H]2C[C@@H]1[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C=C2C	2356530917	MCGRKDOAKFPLLT-BTCFCQFKSA-N	396.480	0.699	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@@]1(C)[C@@H]2C(=C)CC[C@H]1O	2356674842	WLFVPPSXKYSJGO-BDCPWUBGSA-N	378.421	0.644	30	1	GCEF	
C=C1C2=CC(=O)[C@@](C)(C[C@@H]3O[C@](O)([C@@H](C)CC)[C@@](C)(C(=O)O)[C@H]3[C@H](O)[C@H]1O)O2	69482447	ITFCUIPADMFOMI-UWMZSGAHSA-N	396.436	0.751	30	1	GCEF	biogenic,in-vitro
COCC#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@@H]23)cc1	95874159	ZDFVZRKTEWGSHZ-XJUOHMSHSA-N	399.535	0.997	30	1	GCEF	
O=C(CCCCCNC(=O)[C@H](Cc1ccccc1)N1C(=O)CCC1=O)NO	13818777	QEHALUHNWXOUPS-HNNXBMFYSA-N	375.425	0.929	30	1	GCEF	
CC1=C2C[C@@H](C(C)(C)O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC[C@H](C)[C@H]2CC1=O	2356417603	GEPTZQCOTWXOER-FPYUYUEGSA-N	398.496	0.923	30	1	GCEF	
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN(C)/C(=N/C)N21	104188815	SSLCEAAGGCGUOT-IUVRTWELSA-N	398.463	0.725	30	3	GCEF	
CNC[C@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	95732540	LUVAADAAXLMVKF-RVKKMQEKSA-N	396.509	0.673	30	1	GCEF	
C#CCNC(=O)[C@@H]1O[C@H](CCN2CCN(Cc3ccccc3)CC2)CC[C@H]1O	2356301163	WNNKOFDXHKQZFB-PWRODBHTSA-N	385.508	0.852	30	1	GCEF	
CC(C)C[C@H](C(=O)NO)C(=O)N[C@H](CC(=O)O)C(=O)NCc1ccccc1	27093816	JXOYCIWPPBHZCO-UONOGXRCSA-N	379.413	0.430	30	1	GCEF	
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@H](OC=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	27440681	AEPKEGZWKSHFOR-NPZBQGLUSA-N	382.453	0.740	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC[C@H]2[C@H](O)[C@@]3(C)OC4=C(C(=O)O[C@]42C[C@H]3CO)C1=O	1857762877	ZTMDLJADCRURSE-WPEQZZJMSA-N	378.421	0.909	30	1	GCEF	
C[C@H]1CO[C@H]2C(CN3CCN(C)CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@H]32	52996740	QXPZFZNTFIOTEO-LSKLOWJMSA-N	377.416	0.407	30	1	GCEF	
C[C@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O)[C@H]1O)C(=O)C=C(N1CCCCC1)C3=O	1857603674	GSKYWSCRMYTHBL-ZCNNSNEGSA-N	389.404	0.548	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1[C@H](O)[C@@H]3O[C@]3(C)[C@@H]12	2356406355	UIXYMAJVRZFHBB-BLZJCUAKSA-N	376.405	0.801	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(OC)cc3)[C@@H]12	2356829579	JAAMKITYPPJPFC-ALYAQQCSSA-N	391.493	0.513	30	1	GCEF	
CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#C[C@@](C)(O)COC)cc1-2	219540031	QBAUJOBSLRRVIH-HXUWFJFHSA-N	398.419	0.150	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@H]3[C@]45CO[C@H]6O[C@@H](O)[C@@](C)(CC[C@H]4OC(=O)[C@@]3(C2)[C@@H]1O)[C@H]65	2356783320	LFLODSREXVMKOC-UGJIUGPBSA-N	378.421	0.324	30	1	GCEF	
C/C(=N\NC(=S)NNC(=S)NCCCN1CCOCC1)c1ccccn1	13650653	CGLSZRRCBCJYEA-CPNJWEJPSA-N	395.558	0.371	30	1	GCEF	
CCC(=O)c1cnn(C)c1S(=O)(=O)/N=C(\O)Nc1nc(OC)cc(OC)n1	34214162	XKBOOQOSDJSNOT-UHFFFAOYSA-N	398.401	0.535	30	1	GCEF	
C=C1C(=O)O[C@H]2C=C(C)[C@H]3CC[C@@](C)(O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O)[C@@H]3C[C@H]12	238737493	HAJFFIWQPAZQOS-STHNFHEDSA-N	380.437	0.675	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@H](C)[C@H]12	2356425232	JOBAOHFOADHRSC-PTCFYQEESA-N	398.452	0.300	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@]21O	195466871	ADBOAFOIAMBXJT-UCEHHPRUSA-N	376.405	0.803	30	1	GCEF	
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC)[C@@H](O)[C@@H]3O)c2n1	204073136	DZVQSQRNHKKZLJ-MJRMRKOOSA-N	377.470	0.932	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(=C\C)CO)[C@H]12	238750736	KTIMAJCYRZCUKX-BHHKXUDRSA-N	378.421	0.956	30	1	GCEF	
C#CCN1C[C@H](N(C)CCOC(=O)CSc2ccccc2)CS1(=O)=O	96020609	CQROLJHPABAZND-HNNXBMFYSA-N	382.507	0.901	30	3	GCEF	
COc1c2c(cc3c1OCO3)[C@@]13[C@@H](OC(C)=O)CN(C2)[C@@H]1C[C@@H](OC)[C@@H]1O[C@@H]13	31905205	HUKHZLUIPVCSIS-KKDMEDJGSA-N	389.404	0.977	30	1	GCEF	
COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCCNC(=O)/C=N/O)cc1	1772651793	KSDBJUNPOUAYRS-SRZZPIQSSA-N	392.456	0.905	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)CN(C)C)CCCCN3[C@H]2CO)cc1	95874160	ZDFVZRKTEWGSHZ-GIWBLDEGSA-N	399.535	0.997	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@H](O)[C@H]([C@@H](C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C1	2356708882	GXAXDQKTBBMKOO-NMHRLERGSA-N	398.408	0.099	30	1	GCEF	
C=C1C(=O)[C@@]23[C@H](O)[C@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@@H](O)[C@@]3(O)O[C@@H]2OC	2356483777	XHYABSFBWXRDOI-HQVZTSCSSA-N	394.464	0.348	30	1	GCEF	
COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@H]2N[C@@H]1C[C@@H]1C(C(C)=O)=COC[C@]21O	238779017	ATORCSRBUZODQC-VDIUNOJQSA-N	384.432	0.894	30	1	GCEF	
C=C[C@@]1(C)[C@H](C(=C)CO)[C@H]2OC(=O)C(=C)[C@H]2C[C@H]1OC(=O)C(=C)[C@H](O)CO	2356360198	ZXYASCOGVKCEDD-YTWOZJEVSA-N	378.421	0.666	30	1	GCEF	
C[C@H](O)CCC(=O)C1=C2O[C@]3(C)[C@@H](O)[C@H](C=CC(=O)O)[C@@]2(C[C@H]3C)OC1=O	2356687984	HXUORWAUCSCXSP-LQEPMLGKSA-N	380.393	0.713	30	1	GCEF	
CC[C@@H]1CCCCN1C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33836677	UQZKUCCETSAJQQ-AIEDFZFUSA-N	381.477	0.035	30	1	GCEF	
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC(=O)[C@@H]4C(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO	38933851	AKGNEJHNADLZKW-ACBXPLIMSA-N	376.449	0.817	30	1	GCEF	in-man
C/C(=N\OC[C@H](O)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	96170327	KUMSNGMQFQVMGX-ZIFAQYRBSA-N	393.407	0.912	30	1	GCEF	
CCCCCCC#Cc1nc2c(N)ncnc2n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49775323	OIMMRHBOIMZDAG-FSUOKIBISA-N	375.429	0.342	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@@H](CO)N3CCCCN(C(=O)CN(C)C)C[C@H]23)cc1	95874158	ZDFVZRKTEWGSHZ-MQSCRBSSSA-N	399.535	0.997	30	1	GCEF	
CNC(=O)c1c(N)n(C[C@H]2CCCO2)c2nc(C#CC(C)(C)O)ccc2c1=O	96168460	VVPYQNGWCJEVDW-CYBMUJFWSA-N	384.436	0.640	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(=C)[C@@H]2CCC(CO)=C[C@@H]2[C@@H]1C(=C)C(=O)O)[C@@H](O)CO	31170382	OUHXXXBKZQPLON-TXTZMMAHSA-N	378.421	0.969	30	1	GCEF	biogenic
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O[C@@H]1C[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356533858	BHXJSTODGQOUCK-JNHHKXDHSA-N	386.485	0.312	30	1	GCEF	
N=C(N)NCCCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO	2356664048	FHRJNEDPVPOFPW-UHFFFAOYSA-N	386.250	0.907	30	1	GCEF	
CCCCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	36176825	BPQAIKZDEHGLBC-PFHKOEEOSA-N	378.433	0.114	30	1	GCEF	
CCCCCCCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	36176936	MCDJAMMIINNDNH-MOROJQBDSA-N	392.460	0.504	30	1	GCEF	
COC(=N)[C@]12C(N)=NC(OC)(OC)[C@]1(C#N)[C@@]21C(=O)N(c2ccccc2)N=C1C	102964693	YEPKROLUGXJIOG-KZNAEPCWSA-N	396.407	0.847	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1C=C[C@@](C)(O)[C@H]21	2356287486	KNBQELVVKBFJKR-CLTKYUOCSA-N	376.405	0.420	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=C)[C@@H](O)CO)C[C@](C)(C(=C)O)[C@@H]2C(=C)CO	2356442103	OINUCGBMSBDZAV-SQPDSBPRSA-N	394.420	0.552	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@]3(CO3)[C@@H]21	2356529949	XPLDQUHNWMTPHP-VOQVZEDJSA-N	390.388	0.739	30	1	GCEF	
C#CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377829970	FAYFOPNIYUITPF-UHFFFAOYSA-N	395.308	0.383	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H](O)[C@@](C)(O)[C@@H](C)OC(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]21	2356387519	WOCWXHOEKDDPHY-FEHGWMMYSA-N	380.393	0.576	30	1	GCEF	
C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@]12C[C@@H](c1ccoc1)OC2=O	2356629222	VYKKARPJZXXUQF-VPLSGLPXSA-N	390.388	0.716	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@](C)(O)C(C)=O)CC(=C)[C@@H]1C[C@@H](O)C(=C)[C@H]12	2356475613	JYPDPWOSQFAAQH-HRQMUQOOSA-N	376.405	0.849	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3[C@@](C)([C@H](O)CC[C@@]3(C)O)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356545452	SVFPCVAHUZWSGH-JPQDBNTISA-N	380.437	0.865	30	1	GCEF	
CN(C)CCCN1CC(=O)N[C@]2(CSC3=C2C(=O)c2ccccc2C3=O)C1=O	40954621	SMIFZCXTQFKPNJ-FQEVSTJZSA-N	399.472	0.715	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H](C=O)[C@@H]1CC[C@](C)(O)[C@H]21	2356628460	UQAUQYHROZPOMC-CBDHPQRPSA-N	378.421	0.929	30	1	GCEF	
CCCCCCCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	43569473	IKRPDZZJFKIOBU-XLMAVXFVSA-N	380.441	0.250	30	1	GCEF	
C=C1C(=O)O[C@H]2C[C@H]1C[C@H]1[C@@H]2[C@]23[C@@H](O)CCC(C)(C)[C@H]2[C@H](O)[C@@]1(O)O[C@@H]3OC	299862748	NUYJBFSDWBBTBE-NZNVVNMCSA-N	394.464	0.960	30	1	GCEF	
CCCCCCCCNC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	49785779	MCDJAMMIINNDNH-AHXJXLJNSA-N	392.460	0.504	30	1	GCEF	
C[C@@H]1C[C@]2(C)O[C@@H]2C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@@]1(C)O)C2=O	2356317903	ZRIQEDVCFTZLLQ-XVLIEQCJSA-N	381.425	0.221	30	1	GCEF	
COc1ccc(S(=O)(=O)N2Cc3cc(N)ccc3C[C@@H]2C(=O)NO)cc1	3821649	ROVRDWIOAVCKAV-MRXNPFEDSA-N	377.422	0.898	30	1	GCEF	
C=CCOC(=O)OCO[P@@](=O)(O)COCCn1cnc2c(N)ncnc21	28958272	CBOYVGZOPFBDAV-UHFFFAOYSA-N	387.289	0.881	30	1	GCEF	
Cc1nnc([C@](C)(O)C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2CCO3)o1	215751132	VVADFPPMSXQGLT-LJQANCHMSA-N	379.376	0.992	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3[C@@H](CC[C@]3(C)O)[C@@H](C=O)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356595075	RVBQVNIEBNWSIX-KTEYHZFGSA-N	378.421	0.929	30	1	GCEF	
N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCCCCc1ccc(O)c(O)c1	36176090	CHSLRCSFKFQMCE-UHFFFAOYSA-N	393.835	0.773	30	1	GCEF	
COC1=CC([C@@H]2c3cc4c(cc3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)=CC(=O)C1=O	40915586	XCOKRODRXOWJQI-HQKIHSOMSA-N	384.340	0.944	30	1	GCEF	
CCOC(=O)[C@H]1O[C@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	195137659	RUQQPVXMOKJQCG-OAANUOOLSA-N	387.432	0.877	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C(C(=O)OC)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O	2356287999	TZJBTNVBTFCJGF-GEGIDHMNSA-N	392.404	0.984	30	1	GCEF	
CO[S@](=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO	2356808390	YSXFPXFUNVHEDS-NRFANRHFSA-N	379.232	0.954	30	1	GCEF	
Nc1nc(C#CCC2CCCCC2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49020631	RLHVEMZSFWQLLJ-GABDYKALSA-N	387.440	0.342	30	1	GCEF	
C[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)C[C@]2(CO2)C(=O)[C@H](C)[C@H](O)[C@@H]1C	2356322564	PFDLUBNRHMFBGI-WLISLJQRSA-N	386.485	0.923	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]1(O)CC[C@H](C)O[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356533860	BHXJSTODGQOUCK-PZCZZSBESA-N	386.485	0.312	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)CC=C(CO)C[C@H](OC(=O)C(C)=CCO)[C@@H]12	2356507322	ZOPQKMWHSMFPHD-BDXSIMOUSA-N	378.421	0.954	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@H](C)CC)[C@@](O)(C(=O)C[C@H](C)O)[C@@H](C)[C@@H](O)C[C@H]12	2356637714	CFNPAWULBAZKEI-GSNKWGCOSA-N	398.452	0.514	30	1	GCEF	
C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@@H]1[C@@H](O)C[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21	28973699	PYRTUYSUPAFERK-HIKGYAAUSA-N	390.388	0.715	30	1	GCEF	
O=C(N[C@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O)c1ccno1	40568030	XZJUCBSAXCTKLA-CHWSQXEVSA-N	377.422	0.905	30	1	GCEF	
CC(C)CC(=O)O[C@H]1C[C@@](C)(O)[C@@]23O[C@@H]2[C@H](O)[C@@](C)(O)[C@@H]3[C@H]2OC(=O)[C@@H](C)[C@H]12	238770965	PWSUYVPATIVWCL-TYURWWHESA-N	398.452	0.156	30	1	GCEF	
COc1ccc(N2CCN(CCCCn3ncc(=O)n(C)c3=O)CC2)c(C#N)c1	299824736	HLEUVIKCSZIUKQ-UHFFFAOYSA-N	398.467	0.425	30	1	GCEF	
O=C1C[C@H](O)[C@@]23Oc4ccc(O)c5c4[C@@](Oc4cccc1c42)(O3)[C@@H]1O[C@H]1[C@H]5O	2356515803	BCPICRNXIKGDCQ-MCMPHILUSA-N	382.324	0.961	30	1	GCEF	
CC[C@@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26022571	CRUTXKSXIUCGGL-LAVFITLUSA-N	398.548	0.881	30	1	GCEF	
CCCCCCC#Cc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1	44201873	DBHBIZXIRLVAKZ-DQADVMEASA-N	376.413	0.053	30	1	GCEF	
CCc1ncnc(N2CCN(C(=O)CC#N)CC2)c1C#Cc1ccc(N)nc1	169699825	FFWOJJHUJJHVOD-UHFFFAOYSA-N	375.436	0.978	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@]1(CO1)[C@@H]1[C@H](O)[C@H]3O[C@@]3(C)[C@]21O	238771536	QUSNLLJZMPVTTC-GNMBQETQSA-N	392.404	0.014	30	1	GCEF	
CC(=O)OC[C@@]12[C@H](C=C(C)[C@@H](O)[C@H]1O)O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@]12CO2	238784479	JSKXQQKSUOVSKS-UJGURONMSA-N	382.409	0.096	30	1	GCEF	
COC(=O)C[C@]1(O)C=C(C)C2=CC(=O)[C@]3(C)[C@H]4C(=O)O[C@@H]([C@@H]4C)[C@H](O)[C@@H]3[C@]21C	2356635050	RDSBGXYBCRGDBG-SKQKARDVSA-N	390.432	0.931	30	1	GCEF	
O=C(CNS(=O)(=O)N1CCC(Oc2ccc(-n3ccnc3)cc2)CC1)NO	28528013	FFSKFUZCVRDIKT-UHFFFAOYSA-N	395.441	0.055	30	1	GCEF	
CCOC(=O)[C@H]1O[C@@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665373	RUQQPVXMOKJQCG-NOOCLQNGSA-N	387.432	0.877	30	1	GCEF	
CN(c1ncnc2[nH]ccc12)[C@H]1C[C@@H](NS(=O)(=O)N2C[C@H]3C[C@@]3(C#N)C2)C1	261126891	KITABLLENVFMQT-KOFHJDLBSA-N	387.469	0.605	30	1	GCEF	
O=C(NO)[C@H]1CN(C(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1	1857756739	KKRXEVRPSWCKFJ-MRXNPFEDSA-N	389.433	0.707	30	1	GCEF	
CC1=C[C@H]2O[C@H]3[C@@H](O)[C@@H](O)[C@](C)([C@]34CO4)[C@@]2(CO)C[C@@H]1OC(=O)CC(C)C	65748761	DDAUKBBLCGQHIP-PEOWTYOISA-N	382.453	0.551	30	1	GCEF	in-man
C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2ncc(C#CCN(C)C)cc2C1=O	95712344	ZAUQWYYYMXHWKM-JTDSTZFVSA-N	388.512	0.776	30	1	GCEF	
C=C1C[C@H](OC(=O)/C(C)=C/CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]21CO1	238731328	LWDKIUHKLIZGEF-LRJNHNEYSA-N	376.405	0.661	30	1	GCEF	
CN(CCC#N)C(=S)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1	3356495	SWUCYXHWVXHDMP-UHFFFAOYSA-N	396.494	0.568	30	3	GCEF	
Nc1ncnn2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc(C#Cc3ccc(F)cc3)c12	1911583509	IMJFVNBFWGWDAM-DDBAPUKQSA-N	384.367	0.004	30	1	GCEF	
C[C@H](O)CCC(=O)C1=C2O[C@@]3(C)[C@H](C)C[C@@]2(OC1=O)[C@H](C=CC(=O)O)[C@H]3O	2356687987	HXUORWAUCSCXSP-ONQQVXAPSA-N	380.393	0.713	30	1	GCEF	
COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N3CCNCC3)nc21	4238541	JVCMJDLSWGYPIZ-UHFFFAOYSA-N	391.435	0.781	30	1	GCEF	
CCC(=O)ON1CCN(C(=O)[C@H](CCC(=O)O)NC(=O)c2ccccn2)CC1	43072467	OTRDYXYKFDFGDB-AWEZNQCLSA-N	392.412	0.057	30	1	GCEF	
CCCCCCN(C)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560223	SWAYIROKNUBACG-CBBWQLFWSA-N	383.493	0.283	30	1	GCEF	
NC(N)=NCCCCCC(=O)N1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1	26986187	ZBHQMZXPJBIOEB-QGZVFWFLSA-N	388.516	0.061	30	1	GCEF	
CC(=O)NCC/N=C(\N)Nc1nc(-c2cccc(CNC(C)=O)n2)cs1	29306988	FJDJIKCLJUFYFM-UHFFFAOYSA-N	375.458	0.704	30	1	GCEF	
Cc1ncc(COP(=O)(O)O)c(/C=N/CCCC[C@H](N)C(=O)O)c1O	34150380	YQSOQJORMNSDJL-QFULYMJESA-N	375.318	0.706	30	1	GCEF	in-vivo
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)CO)[C@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@H]21	2356539965	HWMRAVUGIAMNQB-CTISPVFFSA-N	376.405	0.419	30	1	GCEF	
N#Cc1ccc(N)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1	28524243	QCSOAJSZWJKBMU-UHFFFAOYSA-N	384.787	0.262	30	1	GCEF	
CO/C(S)=N/Cc1ccc(O[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]2O)cc1	95620042	HMXLIRAHSHWREJ-PQMHSXNQSA-N	385.438	0.896	30	1	GCEF	endogenous,in-man
COCC#Cc1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C)O2	95711027	RUTNGRJJPMAMRO-HDMKZQKVSA-N	375.469	0.861	30	1	GCEF	
C=C1[C@H](O)CC[C@@H]2[C@@]3(C[C@@H](c4ccoc4)OC3=O)[C@@H](C)[C@@H](O)[C@H](O)[C@@]12CO	95919024	OKOVUKLUFCRNMX-DZZYATKHSA-N	378.421	0.931	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1[C@H](O)[C@H](O)[C@@](C)(O)[C@H]12	2356286900	BBZPFHHMPSIYMT-VHDOFKOWSA-N	378.421	0.785	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	2356286212	AVZCSGMWWXMJEA-UFDLDVRPSA-N	396.480	0.843	30	1	GCEF	
C=C1C2=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]3C(=C)C(=O)O[C@@H]3[C@H]1O)O2	2356466739	QVKWPZOAHZHGFQ-OQLSLYHPSA-N	376.361	0.348	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@H]12	2356474403	QOSNJOGSMDVGIL-MRUUOIJTSA-N	398.452	0.156	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@]1(O)CC=C(C)[C@H]21	2356594715	FYELXSMRGZZTNO-QRXRQMIZSA-N	376.405	0.564	30	1	GCEF	
C=C1[C@@H]2C[C@@H](O)[C@H]3[C@]45CO[C@@H]6O[C@H](O)[C@](C)(CC[C@@H]4OC(=O)[C@]3(C2)[C@@H]1O)[C@@H]65	49785350	LFLODSREXVMKOC-ORSVPJRTSA-N	378.421	0.324	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2cc(C(=O)O)c[n+]([O-])c2Cl)N1	14947591	WAIZXDRVXGIBOS-AGIUHOORSA-N	394.815	0.686	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@H]2[C@@H]2O[C@H]21)C(=O)OC	195071229	DJQAYXQSWDXHIP-NOQYRMFCSA-N	393.436	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@]1(C)OC(=CC1=O)[C@H](C)[C@@H]2O	238731272	BOSMSDXDJXIVAW-AGEWWBBFSA-N	392.404	0.576	30	1	GCEF	
C[C@@H]1C[C@H](O)[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@]12C[C@H](c1ccco1)OC2=O	2356425633	QHSCKUHYGHIDLV-RKFXRCCWSA-N	390.388	0.716	30	1	GCEF	
C=C[C@]1(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO	238766160	XLTGCIHAXSOPDM-QSMZNXQGSA-N	382.453	0.994	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@H]1/C=C/C(C)=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238774635	ZQNWZSDLRNNPNH-QXRHVDDYSA-N	396.480	0.867	30	1	GCEF	
CC(=O)OC[C@@]12C[C@H](O)C(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@]2(C)[C@@]12CO2	103885079	TVZHDVCTOCZDNE-CCSBKXPASA-N	382.409	0.096	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@@H](C)[C@@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356488861	BNSRRGINQVIFFG-FVABIRDISA-N	398.452	0.156	30	1	GCEF	
CCOC(=O)CCN1CN/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1	103207818	OJWHGQOAIJGRFG-UHFFFAOYSA-N	376.826	0.920	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356474404	QOSNJOGSMDVGIL-PMLQPMIZSA-N	398.452	0.156	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C=C(C)[C@@]1(O)CC=C(C)[C@@H]21	2356651891	HEAIOJBLGNUAOY-DYWWHBPLSA-N	376.405	0.564	30	1	GCEF	
C#CCO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](O)[C@H](OC(=O)/C=C/c2ccc(O)cc2)C1	13760873	DITPMIBVTCQZGK-YVQSIEQSSA-N	376.361	0.306	30	1	GCEF	
Cc1cc([C@@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@@H](O)CO3)no1	473233291	MMRJVLFFIHRZNO-JXFKEZNVSA-N	394.387	0.953	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@@]21O	2356533347	ADBOAFOIAMBXJT-YIDJCFEKSA-N	376.405	0.803	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3[C@@H](CC[C@@]3(C)O)[C@@H](C=O)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356595077	RVBQVNIEBNWSIX-RKRJWTQPSA-N	378.421	0.929	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@H]3O[C@@H]3[C@@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/C)CO)[C@H]12	254079392	TZMBEJAHWVHDNJ-LPJMURFKSA-N	392.404	0.182	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]21	2356450014	FZSIKVMXFMQGQQ-QTVXIADOSA-N	379.869	0.263	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H](O)[C@@](C)(O)C(C)(C)OC(=O)C(C)=C[C@H]2OC(=O)C(=C)[C@H]21	2356580083	ODESZJAFYLEJHT-BATKGTNTSA-N	394.420	0.966	30	1	GCEF	
N#Cc1ccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	13560342	YRFHAYJJVGLEQC-SCFUHWHPSA-N	399.432	0.602	30	1	GCEF	
O=C(NO)c1cnc(N2CCO[C@@H](CN[C@H](/C=C/c3ccccc3)CO)C2)nc1	45358102	ZYAUSXQMBKTROG-IBQUMJASSA-N	399.451	0.465	30	1	GCEF	
CNC(=O)c1c(C(N)=O)nc2n1CCOc1cc(F)c(C#CC(C)(C)O)cc1-2	219487982	KWZDUAYVLMTDPQ-UHFFFAOYSA-N	386.383	0.663	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H](C=O)[C@@H]1CC[C@](C)(O)[C@H]21	238733207	RVBQVNIEBNWSIX-ZUBMCJACSA-N	378.421	0.929	30	1	GCEF	biogenic
C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC	238740380	RBQOWGQGMNLZHR-BEJOVQNQSA-N	394.464	0.348	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@H](O)[C@]3(CO3)[C@H]21	2356506911	RWDWCHAZOMBQBT-APDUIZJOSA-N	376.405	0.659	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12CO[C@@H]4OC[C@](C)([C@H](O)C[C@H]1OC3=O)[C@@H]42	2356733182	CORVIGTUSONGEO-YVXGUCBFSA-N	376.405	0.184	30	1	GCEF	
O=C(NO)c1cnc(N2CCN([C@H](/C=C/c3ccc(F)cc3)CO)CC2)nc1	34635540	UOEXMKBLKQPTKA-ZNNBYXKUSA-N	387.415	0.931	30	1	GCEF	
C[C@]12CCC(=O)C=C1[C@@H](F)C[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO	299809620	SBTGISCCOLPWIT-TUMVDXBBSA-N	396.455	0.700	30	1	GCEF	
C=C1[C@H](O)[C@@]23C[C@@H]1C[C@H](O)[C@H]2[C@@]12[C@@H](O)CC[C@](C)(CO[C@H]1OC3=O)[C@H]2C=O	2356428126	YSDDLDRLPGAKFP-RDBQMFGHSA-N	378.421	0.166	30	1	GCEF	
N#Cc1nc(CNc2ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc2)cnc1N	27523199	ZZNNISDVNKTZAO-CYBMUJFWSA-N	398.379	0.590	30	1	GCEF	
COC(=N)[C@]12C(N)=NC(OC)(OC)[C@]1(C#N)[C@]21C(=O)N(c2ccccc2)N=C1C	102964696	YEPKROLUGXJIOG-FGTMMUONSA-N	396.407	0.847	30	1	GCEF	
CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1	225154768	WEXNKFCFOBZFCW-MRXNPFEDSA-N	385.376	0.774	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	253693657	ZIJMHFXHKCZCCK-SZWQPCPMSA-N	382.409	0.336	30	1	GCEF	
C=C(C(=O)O[C@@H]1C[C@@H]2C(=C)C(=O)O[C@H]2C=C(CO)CCC=C1C)[C@@H](O)CO	2356773012	OCQTZSWITIFTEM-XDNAFOTISA-N	378.421	0.954	30	1	GCEF	
COC1=C[C@@H](C)[C@H]2C[C@H]3OC(=O)C[C@H]4[C@](C)(O)[C@H](O)[C@@H](O)[C@H]([C@@]2(C)C1=O)[C@@]34C	33833043	WNKCCKMAFDLLDA-FUAFJYTKSA-N	394.464	0.802	30	1	GCEF	biogenic,in-vitro
COC(=O)[C@@]1(O)C(OC)=C(OC)C(=O)[C@]12OC(c1ccc(O)cc1)=CC2=O	34554626	PDQUFOPZEHNTQQ-ROUUACIJSA-N	376.317	0.062	30	1	GCEF	biogenic
C=C1C=C(C)[C@H]([C@@H](O)C[C@@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)C1	238786222	YFGZJFBYIYYGAI-WVIPUABKSA-N	386.485	0.491	30	1	GCEF	
CN1C(=O)N(CCN2CCOCC2)C(=O)[C@@H](C(=O)/C=C/c2ccccc2)[C@@H]1N	100931669	NOYOXJRPFGSERH-KBSZCIAZSA-N	386.452	0.396	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)[C@]1(C)CO1)C[C@@]1(C)OC(=CC1=O)C(=C)[C@H]2O	2356466741	QVKWPZOAHZHGFQ-ZFMCLMSGSA-N	376.361	0.348	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)C(=CC)CO)[C@H]12	2356714818	KTIMAJCYRZCUKX-FGTMMUONSA-N	378.421	0.956	30	1	GCEF	
COC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])[C@H]1C(=O)C[C@H]2C1=CC(=O)CC2(C)C	169692517	WLLXUSAXZPDCPL-OSAQELSMSA-N	394.428	0.782	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1C(=O)[C@@H]3O[C@]3(C)[C@]12O	2356670959	JPHWVGDWVIVLLR-IRPOCYFVSA-N	390.388	0.125	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12	238744933	MODAISDAHGURPG-MQTKQVEJSA-N	378.421	0.956	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2	238754417	CMARMATYSBAUEH-XJWRGQCJSA-N	376.361	0.458	30	1	GCEF	
C=C1[C@@H]2[C@@H](C=C(CO)C(=O)C=C[C@](C)(O)C[C@H]2OC(=O)C(C)=CC)O[C@H]1O	2356338449	XSGLXNFQZZURPT-GNVJSZRZSA-N	378.421	0.953	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccc(OC)cc3)CN12	2356840378	MQHKMFDRMWWRAC-YQVWRLOYSA-N	384.480	0.256	30	1	GCEF	
COC1(OC)C[C@H](C)[C@@]23O[C@]24C2=CC(=O)C=CC2=N[C@H]3C#C/C=C\C#C[C@]14O	102917937	OAGMOQFBOHDCHJ-HKWPUVMNSA-N	377.396	0.719	30	1	GCEF	
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN(C)/C(=N\C)N21	61942249	SSLCEAAGGCGUOT-ZTQLYMRYSA-N	398.463	0.725	30	3	GCEF	
C=C1C[C@]23C[C@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	100778360	LKLDZCIWUDJQCF-ULTQKCCBSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C[C@@]23C[C@@]4(O)[C@H]5[C@]6(C)CN4[C@H]4[C@H]2[C@H](OC(C)=O)[C@H]1[C@H](O)[C@H]3[C@@]45CC[C@@H]6O	2356782863	KLDNQFXMBMDPMZ-IPUOEGOWSA-N	387.476	0.655	30	1	GCEF	
C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2/C=C(/C)C(=O)O[C@H](C)[C@@](C)(O)[C@H]1O	238776655	WOCWXHOEKDDPHY-UAVWANNASA-N	380.393	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@]3(C)CC/C=C(\C)[C@@H](O)[C@@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@]12O[C@H]3O	523041892	WFLSXZQWWJXMLO-DNTKOTDYSA-N	394.420	0.752	30	1	GCEF	biogenic
C#CCNCC1=Cc2cc(S(N)(=O)=O)sc2S(=O)(=O)N1C(C)C	14948000	TXYIDHBKZBJXDG-UHFFFAOYSA-N	375.497	0.372	30	1	GCEF	
O=C1Oc2c(O)cccc2[C@@]2(O)C[C@H]1[C@@]13O[C@]21C(=O)c1c(O)cccc1C3=O	2356755861	AAJNAPPNFBZHCQ-CTBGPFCRSA-N	380.308	0.811	30	1	GCEF	
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@H]1[C@@H](C(=O)O)C[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	238770841	BXVKWOYHHOIALN-GONGNVQQSA-N	394.420	0.967	30	1	GCEF	
O=C(C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1	2356722212	AFFCSQROTFZBBI-VIYGXFRKSA-N	386.400	0.761	30	1	GCEF	
C=CCN(C)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1	2356753448	XNMURRMCLHSVNN-IPMKNSEASA-N	395.617	0.611	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	253693490	ZIJMHFXHKCZCCK-DRINDSLLSA-N	382.409	0.336	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@H](OC(=O)C(=CC)CO)[C@@H]12	2356714821	KTIMAJCYRZCUKX-SQNIBIBYSA-N	378.421	0.956	30	1	GCEF	
CO[C@H]1C[C@H]2C(=C[C@@H]1O)[C@H]1CN2[C@@H](OS(C)(=O)=O)c2cc3c(cc21)OCO3	1857754306	XVENGBHIOSWEKI-PQKJENKHSA-N	395.433	0.878	30	1	GCEF	
C=C1C[C@@H]2O[C@@H]2[C@](C)(O)CC[C@H](C2=C[C@H]([C@@H](O)C(C)(C)O)OC2=O)[C@@H]1CO	2356764502	MQIRKBSTEITVIF-WGGKSXIRSA-N	382.453	0.453	30	1	GCEF	
Cc1cc2ncc(C(=O)NCC(C)(C)NCC(=O)N3CCC[C@H]3C#N)c(C)n2n1	3963208	WFOKSQKLWVYFPZ-HNNXBMFYSA-N	397.483	0.959	30	1	GCEF	
C=C(C(=O)O[C@@H]1C/C(C)=C\CC/C=C(\CO)[C@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO	523042145	LBCBLDXREDUCHQ-JMMUGGMPSA-N	378.421	0.954	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@@]21O	2356510145	ONMIIVSKCOOGNN-XYHZUDTPSA-N	376.405	0.561	30	1	GCEF	
CN1CC[C@@]23C(=O)C[C@H]4[C@H]5[C@H](OC[C@@H]6O[C@]64C1)[C@H](O)C(=O)N(c1ccccc12)[C@H]53	2356665142	WBNAZDBBTHUIEK-SEEOEGIYSA-N	396.443	0.091	30	1	GCEF	
CC(=O)O[C@H]1CC[C@@H](C)O[C@]12CC1=C(CO2)C(=O)[C@@](C)(O)[C@@H](O)[C@@H]1OC(C)=O	2356802125	RWODYNSLPQJZMF-LSPLMKFESA-N	398.408	0.157	30	1	GCEF	
CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C[C@H](O)C[C@H]1C(=O)O	13747312	RPXARBHABPCWRJ-UGUYLWEFSA-N	394.493	0.715	30	1	GCEF	
Nc1nc(C#CCCC2CCCC2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	26378024	LIEDMTGTABXUMA-BMHLXIAXSA-N	387.440	0.342	30	1	GCEF	
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@@H]1CO1	40954802	QXPRIMHKXWCGCU-QWHCGFSZSA-N	394.449	0.804	30	1	GCEF	
Cc1[nH]c(=N)[nH]c(=N[C@@H](C)c2nc3ccn(C)c3cc2N2CCNCC2)c1C#N	1857598947	NKZNDGULUHLORP-ZDUSSCGKSA-N	391.483	0.961	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C=O)[C@H]1CC[C@@]2(O)C(=O)CO	12493586	XUQWWIFROYJHCU-FJNAKSJRSA-N	376.449	0.961	30	1	GCEF	endogenous,in-man
COc1ccc2c(c1)N(C)C(=O)[C@@]21C[C@H]2N[C@@H]1C[C@H]1C(C(C)=O)=COC[C@]12O	95912015	ATORCSRBUZODQC-XEOJFFABSA-N	384.432	0.894	30	1	GCEF	biogenic,in-vitro
O[C@@H]1[C@@H](CS)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)ncnc32)[C@@H]1O	101144418	VDTJMSRAEDVCIK-CRMRRSEDSA-N	377.470	0.976	30	1	GCEF	
C=C1C[C@H]2O[C@H]2[C@@](C)(O)CC[C@H](C2=C[C@H]([C@@H](O)C(C)(C)O)OC2=O)[C@H]1CO	166804940	MQIRKBSTEITVIF-UNAQIHLGSA-N	382.453	0.453	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356690911	PWSUYVPATIVWCL-MEZGWIETSA-N	398.452	0.156	30	1	GCEF	
C=C1[C@@H]2CC[C@@H]3[C@](C2)(C(=O)O[C@H]2C[C@H](O)C(C)(C)[C@H]4[C@H](O)OC(=O)[C@@]243)[C@@H]1O	95911177	WRPBKNUCLLLHGA-VCLXPVPQSA-N	378.421	0.514	30	1	GCEF	biogenic,in-vitro
C=C[C@]1(CO)C[C@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]1C(=C)CO	2356698171	LLQFQSPYTBILCD-GXAQHZSOSA-N	378.421	0.668	30	1	GCEF	
COc1ccc(Cc2nnc(N/N=C3\C(=O)Nc4ccccc43)n(N)c2=O)cc1	84603673	HYUWJSXKEVNZFH-UHFFFAOYSA-N	391.391	0.720	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	101132586	DJQAYXQSWDXHIP-FGFLDFFXSA-N	393.436	0.576	30	1	GCEF	
CC=C1C[C@]2(COC(C)=O)O[C@]2(C)C(=O)OCC2=CCN3CC[C@H](OC1=O)[C@@H]23	2356438028	PSLAXCVGXXVNFJ-LNKGRISISA-N	391.420	0.897	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@@H](COC)[C@@H]21	2356580213	NFTKOFUBUQZORK-HDCQOPJRSA-N	392.404	0.843	30	1	GCEF	
CCC(=O)Nc1cccc(C2=NO[C@]3(C2)C[C@H](C(N)=O)N(C(=O)CC#N)C3)c1	13478989	YOIPVHWFVIWVBY-DNVCBOLYSA-N	383.408	0.898	30	3	GCEF	
N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccco1	82065707	HVOUBBOEBZAKPH-AWEZNQCLSA-N	375.406	0.633	30	1	GCEF	
CO[C@@H]1CC(=O)[C@]23O[C@@]2([C@H]1O)[C@@H](O)[C@H]1O[C@H]1C31Oc2cccc3cccc(c23)O1	238787597	WGCFPWGLKTUIGC-BTDHYDEWSA-N	398.367	0.306	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@@]1(O)/C=C/C(C)=C\C(=O)N[C@@H](CC(N)=O)C(=O)O	66079832	HTYBAUDLWBZRTO-WIMYVAAOSA-N	378.425	0.610	30	1	GCEF	
CCCCCCCCCCCCNS(=O)(=O)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	473086140	HBOUVWZEARMDLD-NCOADZHNSA-N	396.550	0.770	30	1	GCEF	
COC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1S(=O)(=O)c1ccc(C)cc1	40431179	XDGPYCILXATFIO-YPMHNXCESA-N	377.440	0.276	30	1	GCEF	
C=C1[C@H](O)[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC	102234384	XJGZKTJYJMFXIJ-WIDRLQEYSA-N	376.405	0.086	30	1	GCEF	
C[C@@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)c1ncn[nH]1	215747256	QACXGURETNEOBM-GOSISDBHSA-N	382.355	0.558	30	1	GCEF	
CC(=O)O[C@@]1(C)C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@@]4(C[C@@H]1C)O[C@H]4C)[C@H]23	238757872	RBCAOQGTCQIAIE-YTEUQHOESA-N	393.436	0.975	30	1	GCEF	
CC1=CC(=O)[C@@H]2[C@@H]3[C@@H](C(C)(C)O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@]2(C)[C@@H]13	2356784096	NGDDYINPHJUBKI-GIQQWBAASA-N	396.480	0.389	30	1	GCEF	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCON=C(C)C)[C@H]2SC1	29210308	SKVQSUDBJWHECH-SWLSCSKDSA-N	399.425	0.091	30	1	GCEF	
COc1ccc(COCCN/C(N)=N/C(=O)c2nc(Cl)c(N)nc2N)cc1	35907451	XSRGEJYIBDQBJD-UHFFFAOYSA-N	393.835	0.564	30	1	GCEF	
COc1ccc([C@@H]2[C@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1OC	103131024	YJWAFVAWZVQNAA-GZMMTYOYSA-N	395.422	0.389	30	1	GCEF	
CC(C=C[C@@H]1C(C)=CC[C@H](O)C1(C)C)=C[C@H](O)[C@]12O[C@@H]1[C@H](O)C(CO)=C[C@H]2O	2356747360	MFBZDUOKEXHQGD-GTDRIRFSSA-N	392.492	0.995	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C)O2	95711013	RUTNGRJJPMAMRO-MPGHIAIKSA-N	375.469	0.861	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@]13O[C@@H](O)[C@]2(C)CCC=C(C)[C@H](O)[C@@H]3OC(=O)[C@]1(C)O[C@H]1C	2356581441	WFLSXZQWWJXMLO-ZQCGWBTJSA-N	394.420	0.752	30	1	GCEF	
O=C(O)CCCNC(=O)C[C@@H]1SC(NN/C=C2\C=CC=CC2=O)=NC1=O	13120472	AFYOGQVOYAGUMK-VMPCVLLUSA-N	378.410	0.029	30	3	GCEF	
CCN[C@H]1C[C@@H](C)S(=O)(=O)c2sc(S(=O)(=O)/N=C(\O)CNC)cc21	27199188	LDZKSFIAAKAVTR-SCZZXKLOSA-N	395.528	0.829	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12COC(=O)[C@@](C)([C@@H](O)[C@@H](O)C1)[C@@H]2[C@@H]3C(=O)O	104365981	RERZXVXKJOZXIL-QYINQHOPSA-N	378.421	0.325	30	1	GCEF	in-man
C[C@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@@H](C)CC[C@@]24O	257387025	BKRBOORGXGTRIL-MMOKTGCUSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
CCCN=C1C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@H]3[C@@]1(OC)[C@H]2COC(=N)O	1857622165	ZXNXZTQDXAZLPO-JRODOCGJSA-N	376.413	0.644	30	1	GCEF	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C(=O)O)cc1F	43273701	MDJRTHKHHWLMCZ-UHFFFAOYSA-N	399.418	0.283	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@@]1(C)[C@@H]2[C@@]2(CO2)[C@@H](O)C[C@H]1OC(=O)C(C)=CC	2356396457	LPMAKGLMXUQHNZ-JQJJMWPOSA-N	378.421	0.883	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OCC(C)=CC)[C@@H]12)O3	2356466058	QNXWVHCKGBQQSD-QRNRZKQXSA-N	380.437	0.987	30	1	GCEF	
CN(CC#CCN1CCCC1)C(=O)CCCNC(=O)CNC(=O)OC(C)(C)C	27857046	QEPBSJBHKABPRD-UHFFFAOYSA-N	394.516	0.965	30	1	GCEF	
C[C@@H](CO)C1=CC(=O)[C@@]2(C)C[C@@]3(O)O[C@@]4(C(=O)[C@]13C)[C@H](O)[C@H](C)CC[C@@]24O	104366466	BKRBOORGXGTRIL-QTPIYOAUSA-N	380.437	0.089	30	1	GCEF	in-man
C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COCCO2)nc1=O	142939791	FMUHXPKLGMHDNM-YOEHRIQHSA-N	382.416	0.993	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@](C)(O)[C@@H]1CC=C(C)[C@H]21	2356390494	DYAHLLPCEAGRPJ-QJUXXTNESA-N	378.421	0.644	30	1	GCEF	
OC[C@H]1O[C@@H](O/N=C/c2ccc(OCc3ccccc3)cc2)[C@H](O)[C@@H](O)[C@@H]1O	28525533	KYYOETBZDHJWBK-NDWRAMNYSA-N	389.404	0.416	30	1	GCEF	
CNC[C@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C	95727324	BBRSVMSGZNDGOR-OIPACUDHSA-N	396.509	0.407	30	1	GCEF	
C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1C[C@H](O)[C@@]1(C)[C@@H]2[C@@H]2OC(=O)[C@@]1(O)[C@@H]1O[C@H]21	238764183	FLRGNOFPZHOVBJ-RZPRKSDASA-N	390.388	0.715	30	1	GCEF	
C=C1C[C@H](OC(=O)[C@](C)(O)C(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2C(=C)[C@@H](O)C[C@H]12	2356475612	JYPDPWOSQFAAQH-HGMUBFGSSA-N	376.405	0.849	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	2356583343	QUSNLLJZMPVTTC-XISJHAMYSA-N	392.404	0.014	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	100778374	FQTLNSKVFLETSS-UIIGXMJISA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)[C@H](C)CC)[C@@H]12)O3	523041637	PBHKMDBIOFKKFO-TUIAOENGSA-N	396.436	0.593	30	1	GCEF	biogenic
C=C1CC[C@H](O)C(C)(C)[C@@H]1C=CC(C)=C[C@H](O)[C@]12O[C@@H]1[C@@H](O)C(CO)=C[C@@H]2O	2356723358	GCFQOTAUBKKAQI-CCEXSLNBSA-N	392.492	0.995	30	1	GCEF	
C[C@@](O)(C#Cc1cc(-n2ccc3c[nH]c(=N)nc32)ccn1)C(=O)N1CCCC1	1857610523	XFQIPYSYVGZULQ-HXUWFJFHSA-N	376.420	0.953	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356474401	QOSNJOGSMDVGIL-FVABIRDISA-N	398.452	0.156	30	1	GCEF	
CCC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560252	FOTHOLWACKDDPD-OWYFMNJBSA-N	395.504	0.425	30	1	GCEF	
C=C(OC)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)CO[C@H]3O	238745516	VRWCUUDDJCWFII-ULYHCOEVSA-N	378.377	0.753	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](OC(C)=O)[C@H](C)[C@@H]3[C@H](O)C[C@H](O)[C@]3(C)[C@H](OC(C)=O)[C@@H]12	4900030	DBJWOTDYVYVATC-RYOQPONISA-N	382.409	0.345	30	1	GCEF	biogenic
N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCCCCc1ccc(N)cc1	36176099	KOKWQVJPVOHNKZ-UHFFFAOYSA-N	376.852	0.944	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C	95727330	BBRSVMSGZNDGOR-BSXFFOKHSA-N	396.509	0.407	30	1	GCEF	
C=C1C(=O)O[C@@H]2C3=C(C)[C@H](O)C[C@H]3[C@](C)(O)[C@H](OC(C)=O)[C@H](OC(=O)CC)[C@@H]12	95914563	IROVCOYBGPRQIM-UUCBTGRASA-N	394.420	0.800	30	1	GCEF	biogenic,in-vitro
CC(=O)N[C@@H](C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN)C(C)C	26023437	GRTWEYRCFAVSEC-GVDBMIGSSA-N	384.521	0.491	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@]1(O)O[C@@H](C[C@H]1C)C[C@](C)(O)[C@@H]2OC(=O)/C(C)=C\C	1772613401	RLXDLINHHODXMT-AFPQBUQRSA-N	396.436	0.591	30	1	GCEF	
C=C1C[C@H](O)[C@]2(O)[C@H](CC2(C)C)C(CO)=C[C@@H](O)[C@H]1NC(=O)C=C(C)CCO	2356788802	CMJXRYDKHRUJLL-GOBLKYCHSA-N	395.496	0.178	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](C)[C@H](CC(=O)O)[C@]13COC(=O)[C@H]23	238741694	HEARPDWGNHOTSL-NFXSOSGISA-N	392.404	0.714	30	1	GCEF	
N#Cc1c(-c2ccccc2)c(C#N)c(=S)n([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1N	254209858	YCVBNENTOZMDIA-MKVSYHDVSA-N	384.417	0.822	30	1	GCEF	
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@H]2C(=O)C3=C(O)c4c(O)cccc4C[C@H]3C[C@H]21	100759629	ARIAFWGPXNYCQI-ZOFFQFKGSA-N	398.415	0.849	30	1	GCEF	
O=C(CCCCC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C(=O)NC1CCCC1)NO	103233002	NLFOGCNUIMUZSG-GJZGRUSLSA-N	396.488	0.655	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@H]2[C@@H]2O[C@H]21)C(=O)OC	195075527	DJQAYXQSWDXHIP-OINJXPMWSA-N	393.436	0.576	30	1	GCEF	
Cn1cc(-c2nn(C[C@H]3CCCN(C(=O)CC#N)C3)c3ncnc(N)c23)cn1	1857767460	QQGDMRXNKJFHEN-LBPRGKRZSA-N	379.428	0.961	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@H]21)CO[C@@H]3O	2356589850	VPZCNCFYAPSUAL-AVBXNWRJSA-N	378.377	0.141	30	1	GCEF	
CO[C@]12Oc3c(cc(C=NO)nc3-c3ccccn3)O[C@@H]1O[C@H](C)[C@H](O)[C@H]2O	2356791903	JCQWAYDGTXYFMH-ZFCFYDEWSA-N	389.364	0.532	30	1	GCEF	
CC[C@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26022578	CRUTXKSXIUCGGL-LEUOFYLZSA-N	398.548	0.881	30	1	GCEF	
O=C(Nc1ccc2c(c1)CCNC2)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	96168679	XXIFWUYINSCSPL-KBPBESRZSA-N	396.425	0.274	30	1	GCEF	
C[C@H](O)C#Cc1ccc2c(c1)CCn1c-2cc(OC[C@H]2COCCO2)nc1=O	142940222	FMUHXPKLGMHDNM-WMLDXEAASA-N	382.416	0.993	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	257543697	SNUZCOSRHAIVKC-HQDFCALGSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
C=C(CO)[C@H]1CC[C@]2(C)CC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356734241	ZMWRFLCUMHFFRS-XNJIIKEASA-N	398.496	0.493	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12COC(=O)[C@@](C)([C@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)C2	85800089	RERZXVXKJOZXIL-SHNORYCSSA-N	378.421	0.325	30	1	GCEF	in-man
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356472804	JSVOGERDQXWCMQ-CIJJORRASA-N	392.404	0.720	30	1	GCEF	
Nc1c(/C=C2/C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCC3)nn12	15952063	XZMKRKKKKNCQQY-YFHOEESVSA-N	399.432	0.862	30	3	GCEF	
CCOC(=O)[C@@H]1O[C@@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	195054908	RUQQPVXMOKJQCG-HCNNAZEZSA-N	387.432	0.877	30	1	GCEF	
C=C(CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)COC(=O)/C=C/c1ccccc1	137702411	PJOFVVRGQAIWEF-KRWVDWDSSA-N	394.420	0.006	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)CC(C)C)C[C@]1(O)CO[C@]3(O)[C@H]4O[C@@]4(C)[C@H]2[C@H]31	238776946	BFVFZYVPBPSEFF-CECUJVRCSA-N	394.420	0.299	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@]2(C)[C@H]1C[C@@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]13[C@@H]42	299859041	VLYMLZRDCSQUQF-JSEWGSQASA-N	378.421	0.166	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(CO)=C1C[C@H](O)[C@@](C)(O)[C@@H]12	2356459208	CITDRWAOOHPFCD-SPABQMGBSA-N	378.421	0.787	30	1	GCEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C(F)(C(F)(F)F)C(F)(F)F	17216334	DNUPNICBYLLDJY-RRKCRQDMSA-N	396.215	0.467	30	1	GCEF	
COC(=O)[C@H](CCSC)NC(=O)c1cccc(CNC(=O)[C@@H](N)CS)c1	26576458	KKDWNKAXPCEADM-KBPBESRZSA-N	399.538	0.584	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@@H](O)[C@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	238757970	LJFIVFJQZWRSAJ-LYGAFWPLSA-N	394.420	0.513	30	1	GCEF	
CC(=O)O[C@@H]1C[C@]2(CO)[C@H](C=C1C)O[C@H]1[C@H](O)[C@H](OC(C)=O)[C@@]2(C)[C@]12CO2	257557513	UROCTWOJYLMRHO-UGWFIIBNSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C1[C@@H](O)C[C@H]2C(=C)C[C@H](O)[C@@H]3[C@H](CN[C@H](C(=O)O)C(C)C)C(=O)O[C@@H]3[C@H]12	2356682110	NNBPMFMHJCFBIS-JDICCGFOSA-N	379.453	0.717	30	1	GCEF	
C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C/C(=O)/C=C(\C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	136603156	NYQXKINSRDCSCG-JSMGMTBPSA-N	376.405	0.946	30	1	GCEF	
Cc1ccc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c2n1	586939750	DWPSBMKYMLRZCP-UHFFFAOYSA-N	384.421	0.733	30	1	GCEF	
C=CCN(C)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(OC)cc3)[C@H]21	2356829581	JAAMKITYPPJPFC-XAJHFOFHSA-N	391.493	0.513	30	1	GCEF	
NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\O	27109939	NHJPGSLIZFTHIX-VYWIYRJKSA-N	375.360	0.794	30	1	GCEF	
C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@@H]1CN(C)C	95712355	ZAUQWYYYMXHWKM-FRQCXROJSA-N	388.512	0.776	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C\C)CC(=C)[C@@H]1[C@@H](O)[C@@H]3O[C@@]3(C)[C@@]21O	169355367	NFHWFFQENCGSQZ-YRHOKFEDSA-N	376.405	0.801	30	1	GCEF	
C[C@@H]1C=CC(=O)[C@@H]2[C@@]1(CO)CC[C@H]1C(=O)O[C@H]([C@H](CO)CCO)[C@H](O)[C@@]12C	238732815	FSZBMAIGZPEMFA-LXKYKAOMSA-N	382.453	0.050	30	1	GCEF	
CCOC(=O)[C@H]1O[C@]12CC[C@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	253884028	RUQQPVXMOKJQCG-VJSOKARNSA-N	387.432	0.877	30	1	GCEF	
CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]2C	2356286210	AVZCSGMWWXMJEA-GWLHCXMHSA-N	396.480	0.843	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H](C=O)[C@@H]1CC[C@@](C)(O)[C@@H]21	2356628462	UQAUQYHROZPOMC-GQAMFAPMSA-N	378.421	0.929	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(C)[C@@H](O)CCC(=C)[C@H]21	2356674843	WLFVPPSXKYSJGO-KOVNWGBHSA-N	378.421	0.644	30	1	GCEF	
O=C1C=C2C[C@@H](C(=O)O)N(C=CC3=CC(=C(O)O)N[C@@H](C(=O)O)C3)C2=CC1=O	2356848668	PHGYRWDYJWBGFA-YPMHNXCESA-N	388.332	0.279	30	1	GCEF	
CCO/C(O)=c1\oc2c(c(=O)\c1=C1\NN=CN1c1ccccc1)C=CC(=O)C2=O	100429848	ZGCSIXJHVRREBP-NUEPIQMRSA-N	393.355	0.197	30	3	GCEF	
COCC#Cc1ccc([C@H]2[C@H](CO)N3C(=O)CN(C(=O)C4CCC4)C[C@@H]23)cc1	95797743	KCHQXIBFRAJOHB-IRFCIJBXSA-N	382.460	0.982	30	1	GCEF	
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	101331272	DQSOKUXXNKVRAY-FSPSIFDESA-N	378.377	0.512	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C(C(=O)OC)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(=C)[C@@H]2[C@H]1O	2356287998	TZJBTNVBTFCJGF-CNYSDADOSA-N	392.404	0.984	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12	2356637014	DPWFMICLQOCEEX-KSKPBKLJSA-N	392.404	0.816	30	1	GCEF	
CC1=CC(=O)[C@@H]2[C@H]3[C@H]1[C@@]2(C)CC[C@H]3C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356784097	NGDDYINPHJUBKI-LEWAATAYSA-N	396.480	0.389	30	1	GCEF	
CC(=O)Nn1c(Cc2csc(NCCC(=O)O)n2)nnc1SCC#N	28816932	RDBUFKOOCORRHZ-UHFFFAOYSA-N	381.443	0.918	30	1	GCEF	
O=C1c2c(O)ccc3c2[C@@]2(Oc4cccc5c4[C@](O3)(O2)[C@H](O)C[C@@H]5O)[C@@H]2O[C@H]12	40422977	QKLVXISZLKJRFY-AJSIDQCHSA-N	382.324	0.961	30	1	GCEF	
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]3C[C@@H](O)[C@@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F	8552538	SXQQMCLQCSKJNC-URUWMIMUSA-N	396.455	0.845	30	1	GCEF	biogenic
O=C[C@H](CC(=O)O)NC(=O)c1ccc(CNS(=O)(=O)c2ccccc2)nc1	13491972	OKXHJSNMCKNGQC-AWEZNQCLSA-N	391.405	0.332	30	1	GCEF	
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(C(=O)NO)cc1	473111505	ZYZKSMWFEWUHDU-UHFFFAOYSA-N	389.389	0.979	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H]2O[C@@H]2[C@H](C)[C@@]1(O)C(=O)C[C@H](C)O	2356490734	UFACXRAFFYZVIR-MFNNZVEVSA-N	396.436	0.530	30	1	GCEF	
CC1=C2C(=O)[C@H](C(C)C)C[C@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@](C)(O)[C@]2(O)CC1	96085841	DOZVKVJPJOEXOY-SOPFVOOMSA-N	384.469	0.867	30	1	GCEF	
CN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)cc2)CC1=O	221934731	UAYIYMXSZZXZPT-CLWJZODNSA-N	381.480	0.656	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@H](C)[C@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356391058	IHWZOVIRSYMQAB-FUNKXXQESA-N	396.436	0.076	30	1	GCEF	
C=C1C[C@@]23C[C@@]1(O)CC[C@@H]2[C@H]1[C@@H]([C@@H]3C(=O)O)[C@@](C)(C(=O)O)[C@@H](O)C[C@H]1C(=O)O	2356542937	BXVKWOYHHOIALN-SLEFFPBZSA-N	394.420	0.967	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@@H](C(=O)O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)[C@@H](C)CO)[C@@H]12	31157197	JPYFFTKCSKPWHH-SKFAXNAYSA-N	382.409	0.506	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@](O)(C(=C)CC(=O)/C=C(\C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O	195424613	YVCKUIYFOOOQJA-UXIZCRMTSA-N	376.405	0.946	30	1	GCEF	
CC(=O)O[C@H]1C[C@@]2(CO)[C@H](C=C1C)O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	238730788	UROCTWOJYLMRHO-XTTVPRBVSA-N	382.409	0.096	30	1	GCEF	
C=C[C@@]1(C)C[C@@H](OC(=O)C(=C)[C@H](O)CO)[C@H]2[C@@H](OC(=O)[C@@H]2C)[C@@H]1C(=C)CO	238771137	XIAXBMHXCXTVFY-GMCOJURESA-N	380.437	0.746	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C(C(=O)OC)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]2[C@@H]1O	2356287997	TZJBTNVBTFCJGF-BOXDXCSISA-N	392.404	0.984	30	1	GCEF	
C=C1[C@]2(C)CC[C@]3(O)[C@@H](O)[C@]2(C[C@H](O)[C@]2(O)C(C)(C)[C@H](O)[C@H](O)[C@@]12C)C[C@H]3C	2356347220	LHLWKUMQYBFARS-WQKQZSLUSA-N	396.524	0.725	30	1	GCEF	
CCc1ccc(C2=C(C)C(=O)[C@]3(O2)C(=O)N[C@](O)(C(=O)c2ccccc2)[C@@H]3O)o1	2356522600	MNZOUJCDZSUFOG-NRSPTQNISA-N	397.383	0.973	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)N1CCn2c(nnc2C(F)(F)F)C1	40951346	UHGFPMQZPZHCRI-QWRGUYRKSA-N	399.377	0.261	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#C[C@@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C	95727327	BBRSVMSGZNDGOR-ADAWSYLGSA-N	396.509	0.407	30	1	GCEF	
CC(=O)O[C@@H](C=C[C@@H]1O[C@@H]1[C@@H]1OC(=O)CC[C@H]1OC(C)=O)[C@@H](C)OC(C)=O	2356417451	BGZBBOABPPQXTB-PNNADTKDSA-N	384.381	0.831	30	1	GCEF	
CC=C1C[C@]2(COC(C)=O)O[C@]2(C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23	2356438031	PSLAXCVGXXVNFJ-XNFNUYLZSA-N	391.420	0.897	30	1	GCEF	
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@H](OC=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	27440692	AEPKEGZWKSHFOR-BTLIVMRNSA-N	382.453	0.740	30	1	GCEF	
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	62234778	FQTLNSKVFLETSS-BZXFZANMSA-N	394.420	0.967	30	1	GCEF	in-man
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H](CC[C@]3(C)O)[C@H](C=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](O)[C@@H]12	238771239	UQAUQYHROZPOMC-ZXYJGRDLSA-N	378.421	0.929	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)C[C@H](O)[C@](C)(O)C[C@H](OC(=O)[C@@H](C)CC)[C@H]12	2356597818	VNVRUPDBEIOIML-IMQCIAOHSA-N	396.436	0.436	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)CN[C@@H]1C[C@@H]2CN(C(=O)N3CCOCC3)C[C@@H]2C1	101349619	XPBOQFYNLSDNLB-YVSFHVDLSA-N	375.473	0.253	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(\CO)[C@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@H]12)O3	195495202	LJFIVFJQZWRSAJ-LLMKPRJOSA-N	394.420	0.513	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@H]1/C=C/C(C)=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238786016	ZQNWZSDLRNNPNH-YSQDNVGOSA-N	396.480	0.867	30	1	GCEF	
CC(C)(CNC(=O)c1ccc2[nH]nnc2c1)NCC(=O)N1C[C@@H](F)C[C@H]1C#N	38279476	HIEQELYFCRWECN-STQMWFEESA-N	387.419	0.518	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	257473873	LKLDZCIWUDJQCF-SUWUFMBJSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@H](C)C[C@]2(CO2)C(=O)[C@H](C)[C@H](O)[C@@H]1C	2356322562	PFDLUBNRHMFBGI-LSKONMKZSA-N	386.485	0.923	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccc(N(C)C)cc3)CN12	2356859613	SWHAHJWSEICHDZ-DFQSSKMNSA-N	397.523	0.313	30	1	GCEF	
CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(CNC3COC3)n1CCO2	215752476	SDRGSFRQEXKRMA-UHFFFAOYSA-N	396.447	0.652	30	1	GCEF	
C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1C[C@@H](O)[C@]2(O)C(=O)CO	255267029	SQPRYYSTJMNHSK-LKRVAWGUSA-N	378.465	0.752	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@H]12	2356472805	JSVOGERDQXWCMQ-MSHACXPDSA-N	392.404	0.720	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CO)C[C@]1(C)[C@H](O)CC[C@H](C(=O)O)[C@@H]21	2356674479	JPYFFTKCSKPWHH-YLMXTIAKSA-N	382.409	0.506	30	1	GCEF	
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3CO)cc12	14960828	OQMRNIRRUCXMGT-SECBINFHSA-N	383.861	0.939	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2ccncc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73221301	VDZPPVGFTRWNQJ-ZRJCITRHSA-N	375.816	0.022	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@H](O)C(=C)[C@@H]1[C@H](O)C=C(C)[C@]21O	238771719	ONMIIVSKCOOGNN-LPZVPBSISA-N	376.405	0.561	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@]2(O)CC[C@@](C)(/C=C3/OC(=O)C(CO)=C31)O2	238772979	PTWUICAPVLZYIG-CPEKYEGTSA-N	380.393	0.616	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@]13[C@@]1(C)[C@@H](C[C@@H]4O[C@]43[C@@H]2O)C2=C(C[C@H]1O)C(=O)OC2	2356866181	WECOTFPINDNFMA-TVDPIUAYSA-N	376.405	0.074	30	1	GCEF	
CCN(CC)C(=O)CSC1=NN/C(=C2\C=c3ccccc3=CC2=O)N1CC	104024810	GJEWACPPAKBMAS-MNDPQUGUSA-N	384.505	0.840	30	3	GCEF	
CCN(c1nc(N)c(C(=O)N=C(N)N)nc1I)C(C)C	73141094	ZPTOXGGKTTUMEL-UHFFFAOYSA-N	391.217	0.312	30	1	GCEF	
C=C[C@]12[C@H](CC)OC(=O)C(=C)[C@@H]1[C@@H]1OC(=O)C(=C)[C@@H]1[C@@H](OC(=O)CCO)[C@H]2O	2356508835	RZVMPVHNSFYQFW-KWLVZOEISA-N	392.404	0.433	30	1	GCEF	
NC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C/C1=N\O	27109941	NHJPGSLIZFTHIX-CCLVPQBZSA-N	375.360	0.794	30	1	GCEF	
O=C(Cc1ccccc1[N+](=O)[O-])On1c(=O)c(F)cn([C@H]2CCCO2)c1=O	40747206	PMPPCBUETABYMG-CYBMUJFWSA-N	379.300	0.564	30	1	GCEF	
CNC[C@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C	95727339	BBRSVMSGZNDGOR-JTOWHCCKSA-N	396.509	0.407	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@](C)(O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	523041857	UGWSDSBZZKPRAP-KFKFCQARSA-N	380.437	0.961	30	1	GCEF	biogenic
CC1(C)OC(=O)c2c1ccn(-c1ccc(S(=O)(=O)N=C(N)N)cc1)c2=O	96909498	HYSDRWMATABJTB-UHFFFAOYSA-N	376.394	0.205	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1C(=O)[C@@H]3O[C@@]3(C)[C@@]12O	2356670960	JPHWVGDWVIVLLR-MJDWCWJRSA-N	390.388	0.125	30	1	GCEF	
C[S+](C)Cc1ccc2cc1C(=O)NCC(=O)N[C@H](CCCCN)C(=O)N2	29334005	YBIFQUJWWDAUKV-OAHLLOKOSA-O	379.506	0.360	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@]4(C)O[C@@H]4[C@@H](O)[C@H](OC(=O)C=C(C)C)[C@]3(C)C[C@H](O)[C@@H]12	36417420	BXMWOHOZNDHXQQ-PNUSMTBYSA-N	378.421	0.881	30	1	GCEF	
COc1ccc(Cl)cc1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(O)nc1=N	587912877	QFNSDMCFVBQVSH-NUEKZKHPSA-N	391.811	0.771	30	1	GCEF	
C=C1C[C@H](OC(=O)C(C)=CCO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]21CO1	2356516847	LWDKIUHKLIZGEF-YLRNSDIYSA-N	376.405	0.661	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C[C@](C)(O)[C@]1(O)[C@H](O)[C@@H]3O[C@]3(C)[C@H]21	2356531528	BXHVKGAAZHPUIH-XHQQLUELSA-N	396.436	0.076	30	1	GCEF	
N=C(N)NCCC[C@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1	26939199	VSFNKZHGNMFXQU-PBHICJAKSA-N	398.467	0.719	30	1	GCEF	
CNC(=O)[C@@H]1CCCCN1C(=O)[C@H](c1ccc(OC)cc1)[C@H](CO)C(=O)NO	34801932	COUUBDFXGTZTPW-HRCADAONSA-N	393.440	0.020	30	1	GCEF	
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3C=C(C)[C@H](OC(C)=O)C[C@@]3(CO)[C@]1(C)[C@@]21CO1	257557512	UROCTWOJYLMRHO-RVAUNEJZSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C#CCN1C[C@@H](N(C)CCOC(=O)CSc2ccccc2)CS1(=O)=O	96020608	CQROLJHPABAZND-OAHLLOKOSA-N	382.507	0.901	30	3	GCEF	
COCCc1ccc(S(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)NO)s1	13472421	MOZDOAPFXAWJFJ-CYBMUJFWSA-N	398.466	0.348	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	257473872	LKLDZCIWUDJQCF-HKUIJPRXSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(=C)CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	2356387572	YVCKUIYFOOOQJA-RAXJPPKFSA-N	376.405	0.946	30	1	GCEF	
C=C1C[C@H](O)[C@]2(O)[C@H](CC2(C)C)C(CO)=C[C@@H](O)[C@@H]1NC(=O)C=C(C)CCO	2356788803	CMJXRYDKHRUJLL-VAVQPMOSSA-N	395.496	0.178	30	1	GCEF	
C=C(CO)C(=O)O[C@H]1C[C@@]23O[C@@H]2CC/C(=C/[C@H]2OC(=O)[C@@H](C)[C@H]12)CO[C@@H]3O	238733518	GVDXNUSJGXJQEQ-DYHIGZNBSA-N	380.393	0.221	30	1	GCEF	
C[C@@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](O)C[C@]2(C)[C@@H]1C[C@H](O)[C@@]2(O)C(=O)CO	261494644	SEKYBDYVXDAYPY-OWNGZQJHSA-N	376.449	0.528	30	1	GCEF	world
CCOC(=O)[C@H]1O[C@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@H]2O5	139843799	RUQQPVXMOKJQCG-ITSUVCJSSA-N	387.432	0.877	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12)O3	256306378	LJFIVFJQZWRSAJ-RPOYIGQRSA-N	394.420	0.513	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@H]12)O3	257543700	SNUZCOSRHAIVKC-WJBQOKLSSA-N	396.436	0.593	30	1	GCEF	endogenous,in-man
O=C(/C=C/c1ccccc1)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	115286431	OWEQIVOUCFSICJ-YGRURYGFSA-N	386.400	0.761	30	1	GCEF	
C=C(CO)[C@]12O[C@@]13[C@@H](OC(=O)[C@H](O)C(C)C)C(C)(C)C[C@@H]3[C@H](C)[C@@H](O)C2=O	2356435161	TYSMGDPIYYHWHH-AVGJCVHYSA-N	382.453	0.597	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)C(=CCO)CO)[C@H]12	2356671999	RYQBYPMZWJPXAD-KURKYZTESA-N	378.421	0.956	30	1	GCEF	
C#Cc1nc2c(N3CCc4ccccc43)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	13643697	GGUZAPMAYOOHFO-AEVYOOLXSA-N	393.403	0.113	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	100953060	TVZHDVCTOCZDNE-MXHGJZDWSA-N	382.409	0.096	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@@H](O)[C@H](OC(=O)/C(C)=C\C)C(C)=C1C(=O)[C@@H]3O[C@]3(C)[C@@]12O	167944285	JPHWVGDWVIVLLR-LJMJWTMQSA-N	390.388	0.125	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H]1C[C@H]2[C@]2(C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]2[C@@H]3C(=O)O)C(=O)O1	2356525005	TUPQTEAXZZYYGA-PUCKRQGZSA-N	392.404	0.418	30	1	GCEF	
C=C1C(=O)[C@@]23C(=O)[C@@H](O)[C@@H]4C(C)(C)[C@@H]5OC[C@]4(C(=O)/C5=C\O)[C@@H]2CC[C@@H]1[C@H]3O	103292726	QRMVUSFOAHRTOO-RCAZFDIMSA-N	388.416	0.495	30	1	GCEF	
O=C(C=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1	2356722211	AFFCSQROTFZBBI-TXVWBRJLSA-N	386.400	0.761	30	1	GCEF	
COC(=O)CN1CCCC[C@H](NC(=O)[C@H](CC(C)C)[C@@H](C)C(=O)NO)C1=O	26180750	MOBAWCSMNMHMJW-MCIONIFRSA-N	385.461	0.461	30	1	GCEF	
C=C(OC)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)C(=C)[C@H]21)CO[C@@H]3O	2356616396	VRWCUUDDJCWFII-AVBXNWRJSA-N	378.377	0.753	30	1	GCEF	
CC[C@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560251	UQZKUCCETSAJQQ-QTVXIADOSA-N	381.477	0.035	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@](C)(CO)C[C@H]21	2356791713	IXDCDHNDDADZSP-GWZUGAIVSA-N	392.448	0.988	30	1	GCEF	
Cc1cc(C)nc(N/C(O)=N/S(=O)(=O)c2ncccc2C(=O)N(C)C)n1	82102543	KLSGPUYORTWTLH-UHFFFAOYSA-N	378.414	0.905	30	1	GCEF	
C=C(C)[C@H]1CC[C@]2(C1)C(C)=CC(=O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	2356488005	VKWPHWWPBMZQKB-MSGVVRTHSA-N	396.480	0.699	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C/[C@@H]2OC(=O)C(=C)[C@@H]21)[C@H](O)CO	95098820	ZTDFZLVUIVPZDU-QPQCRFJJSA-N	378.421	0.954	30	1	GCEF	biogenic,in-vitro
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@@H]2O[C@@H]2[C@@H]2O[C@H]21)C(=O)OC	253666687	DJQAYXQSWDXHIP-TYDVDHKASA-N	393.436	0.576	30	1	GCEF	
C=C1[C@@H]2C[C@H](OC=O)[C@H]3[C@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(OC5)[C@@]3([C@@H]1O)[C@@H]2O	85532084	IAWPGKBSEHHYQH-PVHWACFUSA-N	394.464	0.348	30	1	GCEF	biogenic,in-vitro
C=C[C@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H]2[C@H](C)C(=O)O[C@@H]2[C@H]1C(=C)CO	523041935	XIAXBMHXCXTVFY-LLWZKHRNSA-N	380.437	0.746	30	1	GCEF	biogenic
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@@H](OC(C)=O)[C@@H]3O	2356559478	DVJQEKCWICUQJN-SQNIBIBYSA-N	378.333	0.279	30	1	GCEF	
C=C1C(=O)OC2=C(C)CC3=CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(=CC)CO)[C@H]12	2356782996	KRDOIFUKTCEIJK-XNWPKKHHSA-N	390.388	0.847	30	1	GCEF	
C#CCN1C[C@@H](N(C)CCOC(=O)c2ccc([N+](=O)[O-])cc2)CS1(=O)=O	96020624	XVDPGCIBFZQRQP-OAHLLOKOSA-N	381.410	0.331	30	3	GCEF	
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H]1CCCCN(CC(=O)OC)C1=O	3821286	PYYFTRAOBJSVDA-KGLIPLIRSA-N	385.461	0.749	30	1	GCEF	
COc1ccc(S(=O)(=O)N2CN(C(C)(C)C)C(=O)C[C@@H]2C(=O)NO)cc1	25969995	VAQNHYAKIUNIKM-CYBMUJFWSA-N	385.442	0.548	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)[C@@H](N)CC(=O)N1CCN(C(=O)c2ccccc2)CC1	28472861	SOYGWDUWIWWWAW-IRXDYDNUSA-N	383.452	0.203	30	1	GCEF	
O=C(NO)c1cnc(N2CCN([C@H](/C=C/c3cccc(F)c3)CO)CC2)nc1	45390739	JQUGGCHYIXURKK-LAQIPUCWSA-N	387.415	0.931	30	1	GCEF	
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(C#CCCO)ccc1-2	142941675	GITIKJVOXNTBIV-KRWDZBQOSA-N	382.416	0.995	30	1	GCEF	
CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C[C@H](O)C[C@@H]1C(=O)O	28224029	RPXARBHABPCWRJ-WCVJEAGWSA-N	394.493	0.715	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)[C@@H](OC(=O)/C(C)=C\C)[C@H](O)[C@@H]12)[C@@H](O)[C@@H]1O[C@]31C	238776888	UIXYMAJVRZFHBB-BNXDUPIJSA-N	376.405	0.801	30	1	GCEF	
C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@@H]3C(=O)O	257418694	FQTLNSKVFLETSS-YXMHMVPBSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCCN)cc21	49784022	AZQPVODZWGLBAX-UHFFFAOYSA-N	385.428	0.933	30	1	GCEF	
C#Cc1ccc(Nc2c(C)c(=O)n(C)c3ncn(C[C@H](O)CO)c(=O)c23)c(F)c1	96167572	SJVCHFHKUPBUPB-ZDUSSCGKSA-N	398.394	0.621	30	1	GCEF	
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CCc3ccccc3C2)C(=O)N1	64564505	MVXFKQSPQCMUFM-BZSNNMDCSA-N	380.448	0.981	30	1	GCEF	
N#Cc1cc2nc([C@H](CCC(=O)O)NC(=O)[C@@H](N)CC(=O)O)[nH]c2cc1C#N	587218775	IKVKXJBOKYYFNM-QWRGUYRKSA-N	384.352	0.130	30	1	GCEF	
NC(=O)c1cc2n(n1)-c1cc(C#C[C@]3(O)CCNC3=O)ccc1OCC2(F)F	215777076	NSEPDYTYFWLKHT-KRWDZBQOSA-N	388.330	0.058	30	1	GCEF	
C=C1CC[C@H](O)C(C)(C)[C@@H]1C=CC(C)=C[C@H](O)[C@]12O[C@@H]1[C@H](O)C(CO)=C[C@@H]2O	2356723361	GCFQOTAUBKKAQI-OZWIYPJGSA-N	392.492	0.995	30	1	GCEF	
CC(=O)O[C@H]1CC[C@@H](C)O[C@]12CC1=C(CO2)C(=O)[C@](C)(O)[C@H](O)[C@@H]1OC(C)=O	2356802123	RWODYNSLPQJZMF-JZQXSHISSA-N	398.408	0.157	30	1	GCEF	
CCCCCCN(C)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564872	SWAYIROKNUBACG-ZQDZILKHSA-N	383.493	0.283	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@@](C)(O)C=C[C@]3(O)[C@@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238783595	INZYZLOQCFZVFR-VLGIYPFDSA-N	378.421	0.785	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@]3(C)CCC=C(C)[C@H](O)[C@H](OC(=O)[C@]4(C)O[C@@H]4C)[C@@]12O[C@@H]3O	2356581439	WFLSXZQWWJXMLO-CAFJTOOTSA-N	394.420	0.752	30	1	GCEF	
C=C(CO)[C@@H]1CC[C@@]2(C)CC[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356734239	ZMWRFLCUMHFFRS-USZQMGBZSA-N	398.496	0.493	30	1	GCEF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@@H](C/N=C/N(C)C)C3)[C@H](C)[C@H]12	26834374	QFNTZGGFKYDAMX-BNUDGFRDSA-N	397.497	0.621	30	1	GCEF	
CC(C)[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1C[C@@H](O)C[C@@H]1C(=O)O	28224026	RPXARBHABPCWRJ-FZKCQIBNSA-N	394.493	0.715	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccc(O)cc1	28635383	VRFYYTLIPKHELT-YESZJQIVSA-N	392.452	0.912	30	1	GCEF	
C=CCNC(=O)[C@H]1O[C@H](CNCc2ccc(Cl)c(Cl)c2)[C@@H](O)[C@@H]1O	40916700	MURUPKHJDLTWLD-KBXIAJHMSA-N	375.252	0.874	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@@H](C)[C@@H]12	2356743426	BDZHFCAKQIOKHS-RWAHYREJSA-N	398.452	0.300	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2N=C(Nc3ccc(N(C)C)cc3)S[C@H]12	2356839350	LTNKVOKNMUIXQK-BPKGMFCQSA-N	388.493	0.496	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356715930	XOJYVZGODJPTEG-JBUMMXFDSA-N	396.436	0.076	30	1	GCEF	
Cc1c2c(c(O)c3c(O)cccc13)C(=O)[C@]1(O)C(=O)C(C(N)=O)=C(O)C(=O)[C@H]1C2	4097210	OJQSYBOSDDVFNO-YBYGRFCBSA-N	397.339	0.095	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1[C@@H](O)C=C(C)[C@H]21	2356381320	IKJCOTOCIDNGHA-IZPLOLCNSA-N	376.405	0.420	30	1	GCEF	
C=C[C@@H]1COC(=O)[C@H](C=O)C[C@@H]2OC(=O)[C@H](C)[C@H]2[C@H](OC(=O)C(=C)CO)C1	2356628261	MSWZYJMTCURMLM-IAODNVIUSA-N	380.393	0.579	30	1	GCEF	
CC1=CC(=O)[C@@H]2[C@H]3[C@H]1[C@@]2(C)CC[C@H]3C(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356784098	NGDDYINPHJUBKI-VMNKHFEISA-N	396.480	0.389	30	1	GCEF	
C[C@@H]1C=CC(=O)[C@@H]2[C@]1(CO)CC[C@@H]1C(=O)O[C@H]([C@H](CO)CCO)[C@@H](O)[C@@]12C	2356499503	FSZBMAIGZPEMFA-HKNKIZGXSA-N	382.453	0.050	30	1	GCEF	
C=C(C)CN1C(=O)[C@@H](O[S@@](=O)O)S/C1=N\N=C1/SCC(=O)N1C	87613168	FVJXDWPIXRCKOU-ZQJIDDRRSA-N	378.457	0.450	30	1	GCEF	
C=C1CC(=O)C=C(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@H]2C[C@H]([C@]3(C)CO3)[C@@H](O)[C@@]1(O)O2	2356655576	HSSPWYAJKLQQPG-NWOHTLKPSA-N	392.404	0.158	30	1	GCEF	
COC(=O)CC1=C(C(=O)O)N[C@@H]([C@@H](C=O)NC(=O)Cc2cccs2)SC1	100033206	UUWFGEKEQSCSMB-IAQYHMDHSA-N	398.462	0.539	30	1	GCEF	in-vivo
CC(=O)OC[C@]12CC(=O)C(C)=C[C@@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	101331273	DQSOKUXXNKVRAY-KDGIVYDMSA-N	378.377	0.512	30	1	GCEF	
C=C1C2=CC(=O)[C@](C)(C[C@@H]3O[C@](O)([C@H](C)CC)[C@@](C)(C(=O)O)[C@@H]3[C@H](O)[C@H]1O)O2	238757391	ITFCUIPADMFOMI-CNAIPYSRSA-N	396.436	0.751	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@@H](OC(=O)C(=CCO)CO)[C@@H]12	2356672000	RYQBYPMZWJPXAD-KZNAEPCWSA-N	378.421	0.956	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)[C@@]3(O)CC(=O)[C@@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	525914820	JSVOGERDQXWCMQ-VQXFXIRFSA-N	392.404	0.720	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2C=C(C)[C@H](O)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)C(=CCO)CO)[C@H]12	2356653467	DWAUXXXGNFAKQL-PVZJGROWSA-N	394.420	0.166	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@H](OC(C)=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	27442620	RNXXTXZMLODQHB-GTTATRIESA-N	398.496	0.922	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2C2(CC2)CO3)C1=O	215775112	XTLQTVSITXHZBU-NRFANRHFSA-N	392.415	0.340	30	1	GCEF	
C=C(C)[C@@H]1CC[C@@]2(C1)C(C)=CC(=O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]2C	238732726	VKWPHWWPBMZQKB-UJJDTBAVSA-N	396.480	0.699	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)[C@H](O)[C@@H]1O)O[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	257457885	JSKXQQKSUOVSKS-RNGRNUFTSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C(C(=O)O[C@H]1C/C(C)=C\CC/C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	33413580	ZTDFZLVUIVPZDU-CRDVENINSA-N	378.421	0.954	30	1	GCEF	in-vitro
CC(=O)OC[C@@]12[C@H](C=C(C)[C@H](O)[C@H]1O)O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	100257539	JSKXQQKSUOVSKS-PDFHHJJCSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C(O[C@@H]1C=C(CO)C2=CC(=O)[C@@](C)(C[C@@H]3OC(=O)C(=C)[C@@H]31)O2)C(=O)OC	2356384863	CXAAAQLJZJSLPB-QHHYFVSCSA-N	376.361	0.720	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CO)C[C@]1(C)[C@H](O)CC[C@@H](C(=O)O)[C@@H]21	2356674478	JPYFFTKCSKPWHH-XTYJPBONSA-N	382.409	0.506	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H]3[C@@H](C=O)CC[C@@H](O)[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@@H]12	13337782	JAMSYNVVOFKKIY-VNKFOIGPSA-N	378.421	0.931	30	1	GCEF	
O=C(NO)c1cnc(N2C[C@H]3[C@H](NS(=O)(=O)c4cccs4)[C@H]3C2)nc1	101934767	LNVJSKBRJGXMLU-IAZYJMLFSA-N	381.439	0.070	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C(=O)O[C@H](C)[C@](C)(O)[C@@H]1O	2356387521	WOCWXHOEKDDPHY-ZZBJHRQTSA-N	380.393	0.576	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3cccc(C#N)c3[nH]2)cc1	586940454	SBVKVFQSVNXIKH-UHFFFAOYSA-N	394.416	0.901	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CC[C@@H]3O[C@]3(COC(C)=O)C[C@@H](OC(C)=O)[C@@H]12	2356420430	AMOCTMOKYBTADW-GJGATLCTSA-N	380.393	0.819	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]2C	257381543	AVZCSGMWWXMJEA-PWMFCNGGSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
COc1ccc(CN(CC(=O)NC(C)C)C(=O)CCNC(=O)/C(C)=N/O)cc1	1857628721	FBNMWKUNPHVKBO-HYARGMPZSA-N	392.456	0.905	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H](C(=C)C(=O)O)[C@H](OC(=O)C(=C)CO)C2	2356455482	VFWBKWFDMSNXAX-GEVJBBTPSA-N	378.377	0.370	30	1	GCEF	
CC(=O)OCC1=C(/C=N/O)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1	169323161	KDHWXPIJMQBMOG-KQRIDYJCSA-N	395.462	0.968	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@]21O	257491582	NFHWFFQENCGSQZ-KIOIGYTRSA-N	376.405	0.801	30	3	GCEF	
C[C@@H]1OC(=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@H](C)C[C@]2(CO2)C(=O)[C@H](C)[C@H](O)[C@@H]1C	2356322563	PFDLUBNRHMFBGI-WDPRGVQUSA-N	386.485	0.923	30	1	GCEF	
CC[C@H](C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@@H](C)[C@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356488864	BNSRRGINQVIFFG-PMLQPMIZSA-N	398.452	0.156	30	1	GCEF	
O=C1C=C2C[C@H](C(=O)O)N(C=CC3=CC(=C(O)O)N[C@@H](C(=O)O)C3)C2=CC1=O	2356848666	PHGYRWDYJWBGFA-DGCLKSJQSA-N	388.332	0.279	30	1	GCEF	
CC(C)C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C(=O)NCC#N	82065362	GWEJROGRUMEYBU-GJZGRUSLSA-N	379.461	0.074	30	1	GCEF	
CC(=O)O[C@@H]1C[C@]2(CO)[C@@H](C=C1C)O[C@H]1[C@@H](O)[C@H](OC(C)=O)[C@]2(C)[C@@]12CO2	100257231	UROCTWOJYLMRHO-WLLVXSAASA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(\CO)C[C@H](OC(=O)/C(C)=C/CO)[C@@H]12	169655021	MODAISDAHGURPG-SZPNZLSHSA-N	378.421	0.956	30	1	GCEF	
C=C1C[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12COC(=O)[C@@](C)([C@H](O)[C@H](O)C1)[C@@H]2[C@H]3C(=O)O	257529995	RERZXVXKJOZXIL-UWBZUYNKSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
C=C1C(=O)[C@]23C[C@@H]1C[C@@H](O)[C@H]2[C@@]12CO[C@@H](O)[C@@H]1C(C)(C)[C@@H](O)C[C@@H]2OC3=O	653738879	DOCCUZZGOVNQFS-ULIHDUFXSA-N	378.421	0.166	30	1	GCEF	
CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C(=O)NCCc1ccc(O)cc1)[C@@H](C)CC	32303428	RZHVVXDUYUESJI-STECZYCISA-N	392.452	0.912	30	1	GCEF	
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CO1	40876977	XRLQEVLRBDPXIT-RYUDHWBXSA-N	380.422	0.414	30	1	GCEF	
C[C@@H](O)[C@@H](NC(=O)c1ccc(C#CC#Cc2ccc(N)cc2)cc1)C(=O)NO	66251341	SNVYDNOGPYZQEV-AUUYWEPGSA-N	377.400	0.657	30	1	GCEF	
C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	85799955	LKLDZCIWUDJQCF-WAMOQWQFSA-N	394.420	0.967	30	1	GCEF	in-man
C=C1C(=O)O[C@H]2/C=C(/CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	238741083	LJFIVFJQZWRSAJ-WHFCBKTFSA-N	394.420	0.513	30	1	GCEF	
OC[C@H]1O[C@@H](n2ncc3c(SCC#Cc4ccccc4)ncnc32)[C@H](O)[C@@H]1O	48999092	AFTCYPVBBWQPIP-YKTARERQSA-N	398.444	0.582	30	1	GCEF	
Cc1ccc(C#Cc2c(Cl)nc(N)nc2N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)cc1	73166475	KUDATQPBLPBNSV-MIGQKNRLSA-N	388.855	0.935	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@]13C)C(=O)O[C@H]4O)[C@H]2O	2356840741	MUAOVIQJUITNMQ-QCHWLYDWSA-N	376.405	0.422	30	1	GCEF	
CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCON=C(C)C)[C@H]2SC1	29210313	SKVQSUDBJWHECH-IUODEOHRSA-N	399.425	0.091	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCC4)C[C@H]23)cc1	95797744	KCHQXIBFRAJOHB-SFHLNBCPSA-N	382.460	0.982	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C/[C@H]2OC(=O)C(=C)[C@@H]12)[C@H](O)CO	238778372	ZTDFZLVUIVPZDU-QIIVUIQXSA-N	378.421	0.954	30	1	GCEF	
COc1ccc(Cl)cc1C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O	587912830	PMFXVJHFQIYFDC-NUEKZKHPSA-N	392.795	0.651	30	1	GCEF	
CNC[C@@H]1Oc2cc(C#C[C@H](C)O)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C	95727336	BBRSVMSGZNDGOR-LLDVTBCESA-N	396.509	0.407	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]2C	2356286209	AVZCSGMWWXMJEA-DPBDOSALSA-N	396.480	0.843	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@@]3(CO3)[C@H]21	2356529947	XPLDQUHNWMTPHP-HHGNXTJHSA-N	390.388	0.739	30	1	GCEF	
C=C1C=C(C)[C@H]([C@H](O)C[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)C1	2356422923	YFGZJFBYIYYGAI-OILFMNDZSA-N	386.485	0.491	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	2356568970	RDNBTHMQYKALRD-ISWXRXLFSA-N	380.393	0.304	30	1	GCEF	
CCCCCCCCc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	43278953	MNZDTQPQUDHCOK-DQADVMEASA-N	379.461	0.923	30	1	GCEF	
CNCc1ccc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)cc1	96168613	FBNCKYMJQXAADY-OLZOCXBDSA-N	384.414	0.348	30	1	GCEF	
CC1(C)OC2=C(C(=O)c3cc(O)cc(O)c3C2=O)[C@@H]2C=C(CO)[C@@H](O)[C@H](O)[C@H]21	100304908	VXMGWBBELIEFKJ-GVOGLMCNSA-N	388.372	0.426	30	1	GCEF	in-vitro
CC1=C2C[C@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@H](C)[C@H]2CC1=O	238750340	GEPTZQCOTWXOER-FKLQQVSNSA-N	398.496	0.923	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(/C)C3=CC(=O)[C@@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	525914851	VZEOYVPTUSFQTE-WYNRPHEESA-N	390.388	0.497	30	1	GCEF	biogenic
COC(=O)[C@@]1(C)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=N\C3CCCCC3)N21	61942199	OWRTUIFQABVPLK-KFNTWBCWSA-N	376.457	0.467	30	3	GCEF	
COc1cc(C=NO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)nc(-c2ccccn2)c1	2356324691	LKWAMLIBKNOJKX-GTQNRYLJSA-N	375.381	0.330	30	1	GCEF	
CC1=CC[C@H](O)[C@@]2(C)[C@H]1[C@H](O)[C@]13O[C@]1(C)C(=O)O[C@H]3/C=C(/C)C[C@H](O)[C@@H]2O	238783021	WUKXQWFCPWEFDX-WVJGIACHSA-N	380.437	0.206	30	1	GCEF	
C/C=C(/C)C(=O)O[C@H]1[C@@H]2[C@@H](/C=C(/C)C3=CC(=O)[C@@](C)(O3)[C@@H]1O)OC(=O)[C@@]21CO1	525914818	ILBSAWZDZCQMLZ-TZHFPSNFSA-N	390.388	0.738	30	1	GCEF	biogenic
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@H](OC=O)[C@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	27440686	AEPKEGZWKSHFOR-QIFRRDRDSA-N	382.453	0.740	30	1	GCEF	
C=CCNC(=O)[C@@H]1O[C@@H](n2cnc3c(NC(CC)CC)ncnc32)[C@@H](O)[C@@H]1O	29407575	VLURUACXSRDDGN-UYAYXHRUSA-N	390.444	0.348	30	1	GCEF	
CCCCCCC#Cc1cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c(=O)nc2o1	43491209	URZSAMCTZNIHKO-XLMAVXFVSA-N	376.409	0.923	30	1	GCEF	
CC(C)=CC(=O)C[C@]1(C)[C@@H]2C[C@H]1C(C)=C[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238732705	MCGRKDOAKFPLLT-KFGNZHDTSA-N	396.480	0.699	30	1	GCEF	
C[C@@]12C[C@H](c3ccoc3)OC(=O)[C@H]1C[C@H](O)[C@]1(C)[C@H]2[C@H]2OC(=O)[C@]1(O)[C@H]1O[C@H]12	238756824	FLRGNOFPZHOVBJ-ADFZOBPESA-N	390.388	0.715	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)[C@@]3(O)CC(=O)[C@@](C)(O3)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]12	2356472807	JSVOGERDQXWCMQ-ZAPIXYCPSA-N	392.404	0.720	30	1	GCEF	
Cn1c(=O)c2c(nc(N3CCC[C@H](N)C3)n2Cc2ccccc2C#N)n(C)c1=O	1491432	XJNKUWDMCBZMTG-HNNXBMFYSA-N	393.451	0.281	30	1	GCEF	
C=C[C@H]1COC(=O)[C@H](C=O)C[C@@H](O)[C@@H]([C@H](C)C(=O)O)[C@H](OC(=O)C(=C)CO)C1	100003356	GXAXDQKTBBMKOO-LFTMDZKFSA-N	398.408	0.099	30	1	GCEF	biogenic,in-vitro
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)C[C@H]3[C@@H](C)[C@@H](O)[C@]4(O)OC[C@@]31[C@@H]24	238765400	VLYMLZRDCSQUQF-UFVBQELVSA-N	378.421	0.166	30	1	GCEF	
CN1C(=O)CC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1CC(=O)O	26179414	DLMMMBXYCBMUDE-STQMWFEESA-N	379.438	0.093	30	1	GCEF	
OC[C@H]1O[C@@H](O/N=C/c2ccc(OCc3ccccc3)cc2)[C@@H](O)[C@@H](O)[C@@H]1O	28525531	KYYOETBZDHJWBK-MQTUZFFASA-N	389.404	0.416	30	1	GCEF	
CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(Cc3ncccn3)c2c1=O	95605344	ODXFSPFKAZPSFD-OAHLLOKOSA-N	377.452	0.987	30	1	GCEF	
C=c1c(C#N)c(O)[nH]c(=O)/c1=C/c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1	169685502	ARTWDZADTHIUKE-RIYZIHGNSA-N	383.385	0.099	30	1	GCEF	
N#Cc1cc2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c1=S)CCCCCC2	39097737	UKPICPQZFRGKQT-DRRXZNNHSA-N	380.466	0.721	30	1	GCEF	
CCOC(=O)[C@]1(C#N)[C@]2(C#N)C(N)=NC(ON=C(C)C)(ON=C(C)C)[C@]21C#N	169431377	LEVOJUHEUBDOIW-ARFHVFGLSA-N	385.384	0.942	30	1	GCEF	
C=C1[C@@H]2CC(=O)O[C@@H]3C[C@H]4C(C)=CC(=O)[C@@H](O)[C@]4(C)[C@H]4[C@]23CO[C@@]4(O)[C@H]1O	238749171	WBBVXGHSWZIJST-FYIPRRCOSA-N	376.405	0.086	30	1	GCEF	
CC(C)C[C@H](NC(=O)NCc1cn(Cc2ccccc2N)nn1)C(=O)NO	1857751243	DIKDIXAIUVPKCX-HNNXBMFYSA-N	375.433	0.628	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@@H]3[C@@]45CCCC(C)(C)[C@@H]4[C@H](O)[C@@](O)(O[C@@H]5OC)[C@]3([C@H]2O)[C@@H]1O	2356626170	MQFOWMSWYZXMPL-WPWBSJRBSA-N	396.480	0.140	30	1	GCEF	
CC(C)C[C@H](NC(=O)N1CCN(C(=O)c2ccco2)CC1)C(=O)NCC#N	82065426	RGNAYKSARWYOGX-AWEZNQCLSA-N	375.429	0.801	30	1	GCEF	
N#Cc1cccc(CN[C@@H]2CO[C@@H](CNS(=O)(=O)c3ccccc3)[C@@H]2O)c1	2356311420	OQUWELAMJKLRDJ-CEXWTWQISA-N	387.461	0.755	30	1	GCEF	
C=C1[C@H]2C[C@H](O)[C@H]3[C@@]45[C@@H](O)CC[C@](C)(CO[C@H]4OC(=O)[C@@]3(C2)[C@@H]1O)[C@@H]5C=O	2356428125	YSDDLDRLPGAKFP-QAAXNBIWSA-N	378.421	0.166	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C)C[C@H](OC(=O)C(=CCO)CO)[C@@H]12	2356672001	RYQBYPMZWJPXAD-RCCFBDPRSA-N	378.421	0.956	30	1	GCEF	
CCCCCCCCc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	43278956	MNZDTQPQUDHCOK-WHTWZSQMSA-N	379.461	0.923	30	1	GCEF	
C[C@@H](O)[C@H](NC(=O)c1ccc(C#CC#Cc2ccccc2N)cc1)C(=O)NO	66251339	JOXAPTYYMHJISR-KUHUBIRLSA-N	377.400	0.657	30	1	GCEF	
CNC[C@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C	95732703	LUVAADAAXLMVKF-HDMKZQKVSA-N	396.509	0.673	30	1	GCEF	
CC(C)[C@@H](OC(=O)[C@@H](NC(=O)CCC[C@H](N)C(=O)O)[C@H](C)S)C(=O)O	58638819	SEWFXDOLNMAGTP-FSZOTQKASA-N	378.447	0.024	30	1	GCEF	in-vitro
Cc1cncc2nc(CNC(=O)CNS(=O)(=O)c3ccc(C#N)cc3)[nH]c12	586940344	NCPBVKGYKPSEQP-UHFFFAOYSA-N	384.421	0.733	30	1	GCEF	
C#C[C@H](CC(=O)O)NC(=O)CN1CCc2ccc(C3CCNCC3)cc2C1=O	13760121	VBUIJXXUZGLGAT-QGZVFWFLSA-N	383.448	0.745	30	1	GCEF	
CO[C@]12Oc3c(cc(C=NO)nc3-c3ccccn3)O[C@@H]1O[C@H](C)[C@@H](O)[C@@H]2O	2356791901	JCQWAYDGTXYFMH-IHKRUMLCSA-N	389.364	0.532	30	1	GCEF	
C=C1[C@H](O)[C@]23[C@@H](O)[C@@H]1C[C@H](O)[C@@H]2[C@@]12CCCC(C)(C)[C@@H]1[C@H](O)[C@@]3(O)O[C@@H]2OC	2356626167	MQFOWMSWYZXMPL-NHOUZIPUSA-N	396.480	0.140	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	100953057	TVZHDVCTOCZDNE-BKEIFJJJSA-N	382.409	0.096	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@]1(O)C(=O)[C@H]2O[C@@H]2[C@H]2O[C@@H]21)C(=O)OC	101132641	DJQAYXQSWDXHIP-MRXGJHIBSA-N	393.436	0.576	30	1	GCEF	
Cc1nc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2CCO3)no1	215774500	FBGZMOFTQRRNNU-LJQANCHMSA-N	379.376	0.857	30	1	GCEF	
CC(=C(O)CO)[C@@H]1OC(=O)C=C2[C@]3(C)[C@@H]4O[C@@H]4C[C@@H]4C(=O)O[C@H]([C@@H]43)[C@@H]3O[C@]213	2356493783	GTLXGEXLDIMHND-MKEUKMBUSA-N	376.361	0.149	30	1	GCEF	
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CO[C@H](C/N=C/N(C)C)C3)[C@H](C)[C@H]12	26834378	QFNTZGGFKYDAMX-HOKHBXJXSA-N	397.497	0.621	30	1	GCEF	
C[C@H]1CN([C@H](C)CO)C(=O)c2cc(C#CC(C)(C)O)cnc2O[C@H]1CN(C)C	95853412	NKHZDHMBHRLDSQ-DAYGRLMNSA-N	389.496	0.986	30	1	GCEF	
C#CCN(C)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCCN1CCOCC1	2356298316	QREFMURXCVHHFG-IPMKNSEASA-N	393.601	0.058	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@]1(C)[C@H](OC(=O)C(C)=CC)C[C@H](O)[C@]3(CO3)[C@@H]21	2356396456	LPMAKGLMXUQHNZ-IRMRTTNYSA-N	378.421	0.883	30	1	GCEF	
O=C(N[C@@H]1CN([C@H](C(=O)O)c2ccc(O)cc2)C1=O)/C(=N\O)c1ccc(O)cc1	100395895	NMMOYDKOFASOBV-DSDLSRQOSA-N	399.359	0.429	30	1	GCEF	
Cc1cc([C@](C)(O)C#Cc2ccc3c(c2)-n2nc(C(N)=O)cc2[C@H](O)CO3)no1	219469126	MMRJVLFFIHRZNO-OXQOHEQNSA-N	394.387	0.953	30	1	GCEF	
CC(=O)O[C@@H]1C[C@](C)(OC(C)=O)C(=O)CC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)[C@@H](CO)[C@H]12	2356407152	RBVQQTSGUPXDEI-RIDROVEFSA-N	398.408	0.301	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C[C@](C)(O)[C@]1(O)[C@H](O)[C@@H]3O[C@@]3(C)[C@H]21	2356531526	BXHVKGAAZHPUIH-FWSXJJEFSA-N	396.436	0.076	30	1	GCEF	
O=C1C=CC(=CNNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)C=C1	13130546	UVBKXVMSSQTQIS-UHFFFAOYSA-N	384.440	0.645	30	3	GCEF	
COc1ccc(/C=C/[C@@H](CO)N2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1	45349117	PPEIAJKMCSPOIO-RTZWDOBSSA-N	399.451	0.801	30	1	GCEF	
C=CCNC(=S)N/N=C/c1ccc2c(c1)[n+]([O-])c(C(=O)OC)c(C)[n+]2[O-]	169339913	CACRHXWWCIVBLF-GIJQJNRQSA-N	375.410	0.186	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@H](C)[C@H]12	2356743427	BDZHFCAKQIOKHS-VPYRRJDPSA-N	398.452	0.300	30	1	GCEF	
C/C=C(\C)C(=O)O[C@@H]1[C@H](O)[C@@]2(C)OC(=CC2=O)/C(C)=C\[C@H]2OC(=O)[C@]3(CO3)[C@H]12	523041513	ILBSAWZDZCQMLZ-VQJMQCLASA-N	390.388	0.738	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](O)[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@H]21	2356497091	ZDNNJCOUNKNSGH-CKJZIOTRSA-N	376.405	0.659	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C(=O)O[C@](C)([C@H](C)O)[C@@H]1O	2356532696	UNYWYFFFHHQZSP-XKXHLLLOSA-N	380.393	0.576	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H](OC(=O)[C@@H](C)CC)[C@@](O)(C(=O)C[C@H](C)O)[C@@H](C)[C@@H](O)C[C@H]12	2356637713	CFNPAWULBAZKEI-CNFMXPQXSA-N	398.452	0.514	30	1	GCEF	
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=N\Cc3ccccc3)N21	61942183	SGXSGMUKQNIHAM-ZTQLYMRYSA-N	398.463	0.725	30	3	GCEF	
C[S+](C)CC(=O)CC[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O	40394597	ZREUNCMKLVTPBD-HNNXBMFYSA-O	397.473	0.709	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1C[C@H](O)[C@H](C)[C@](O)(C(=O)C[C@H](C)O)[C@@H]2OC(=O)[C@H](C)CC	2356637715	CFNPAWULBAZKEI-KGYXCNJUSA-N	398.452	0.514	30	1	GCEF	
N#Cc1ccc(S(=O)(=O)NCC(=O)NCc2nc3c(N)ccnc3[nH]2)cc1	586940435	QXQOWOHDIOYESP-UHFFFAOYSA-N	385.409	0.006	30	1	GCEF	
CC(=O)O[C@@H](C=C[C@@H]1O[C@@H]1[C@H]1OC(=O)CC[C@H]1OC(C)=O)[C@@H](C)OC(C)=O	2356417450	BGZBBOABPPQXTB-MQKOOPMKSA-N	384.381	0.831	30	1	GCEF	
C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@@]12C[C@@H](c1ccoc1)OC2=O	2356629221	VYKKARPJZXXUQF-MVXKGAIWSA-N	390.388	0.716	30	1	GCEF	
N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)C[C@H](c3ccccc3Cl)C=21	13110741	DDGBHJLJLPZPIM-MRVPVSSYSA-N	396.863	0.806	30	3	GCEF	
CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCNC)cc21	49088379	RYFDZZFKNCPTJF-UHFFFAOYSA-N	385.428	0.804	30	1	GCEF	
CC(=O)OC[C@]12C[C@@H](O)C(C)=C[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169332777	TVZHDVCTOCZDNE-PMAOOBAUSA-N	382.409	0.096	30	1	GCEF	
CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H](O)CC)[C@H](F)C(=O)NO	13587656	ZWAGHAOKLTZRCM-MQYQWHSLSA-N	375.441	0.514	30	1	GCEF	
O=C(O)CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCC[C@@H]1CCO	13745890	MXJQBTKRTZFXOM-PMPSAXMXSA-N	394.493	0.860	30	1	GCEF	
COCC#Cc1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C)O2	95711021	RUTNGRJJPMAMRO-RLFYNMQTSA-N	375.469	0.861	30	1	GCEF	
CCS(=O)(=O)ON1C(=O)c2ccc(NC(=O)CCC(=O)OC)cc2C1=O	13476670	YZWURFFNXBVVEM-UHFFFAOYSA-N	384.366	0.456	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@H]3O[C@H]3[C@H]3O[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12	14970049	TZMBEJAHWVHDNJ-NOKLIYQMSA-N	392.404	0.182	30	1	GCEF	
COC1=C[C@@H](C)[C@@H]2C[C@H]3O[C@H](O)C[C@H]4[C@](C)(O)[C@H](O)C(=O)[C@H]([C@@]2(C)C1=O)[C@@]34C	33833006	NWJNNRWDONVYAY-YEZQDZRTSA-N	394.464	0.802	30	1	GCEF	biogenic,in-vitro
NS(=O)(=O)/N=C(\O)c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1	95556570	ARCRYVWVZUOTHV-UHFFFAOYSA-N	395.462	0.942	30	1	GCEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO)O2)cc1C#Cc1ccc(C(F)(F)F)cc1	5833048	RPGHQCNKOXWXAX-KKUMJFAQSA-N	396.321	0.596	30	1	GCEF	
N#Cc1cc2c(n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCCC2	17259090	UKPICPQZFRGKQT-UHDSXZAQSA-N	380.466	0.721	30	1	GCEF	
CC(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN)C(C)C	26023445	GRTWEYRCFAVSEC-YESZJQIVSA-N	384.521	0.491	30	1	GCEF	
C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]1[C@H]3C(=O)O	257418692	FQTLNSKVFLETSS-DSGYGLFLSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@H](O1)[C@H](OC=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@]12C	27440698	AEPKEGZWKSHFOR-WAGABVSKSA-N	382.453	0.740	30	1	GCEF	
CCOP(=O)(CCNc1nc(N)c(C(=O)N=C(N)N)nc1Cl)OCC	73129732	RYPRVDZJUPMDMS-UHFFFAOYSA-N	393.772	0.804	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)N2CCN(CC)CC[C@H]2C(=O)NO)cc1	28334653	KJFHTZIVTSKATM-KRWDZBQOSA-N	395.481	0.679	30	1	GCEF	
C[S@+](CCCOc1ccccc1)CC(O)(P(=O)(O)O)P(=O)(O)O	28862347	UGVYRAGFCCZORE-QHCPKHFHSA-O	387.307	0.705	30	1	GCEF	
C[C@H]1C[C@@H](C)C(=O)CC(=NO)[C@H]2[C@@H](O)[C@H]3OC4=C(C(=O)O[C@@]42C[C@@H]3C)C1=O	2356715182	FHTFDKWORXYZHH-OSKFDDEBSA-N	377.393	0.986	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169373292	ZIJMHFXHKCZCCK-JAUHJEJISA-N	382.409	0.336	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(\CO)[C@H]3O[C@H]3[C@H]3O[C@]3(C)C[C@H](OC(=O)/C(=C/C)CO)[C@H]12	195518023	TZMBEJAHWVHDNJ-VHJQGVBPSA-N	392.404	0.182	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@H]2C	85847482	AVZCSGMWWXMJEA-GLWTWOCRSA-N	396.480	0.843	30	1	GCEF	in-man
C=C1CC(=O)/C=C(/C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H]2C[C@@H]([C@@]3(C)CO3)[C@H](O)[C@]1(O)O2	101702439	HSSPWYAJKLQQPG-VWYBAYIMSA-N	392.404	0.158	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@@H]1[C@H](O)C=C(C)[C@@H]21	2356381321	IKJCOTOCIDNGHA-WJQMWINMSA-N	376.405	0.420	30	1	GCEF	
C=C(C)[C@@H]1CC(=O)C[C@H]2O[C@@](C)(CC2=O)C[C@H](O)[C@@H]2O[C@]2(C(=O)OC)[C@@H](O)C1	2356765057	LQKBZDWBXWSEMX-MFXPMQAUSA-N	396.436	0.471	30	1	GCEF	
Cn1c(=O)c2nc(N3CCC[C@H](N)C3)n(Cc3ccccc3C#N)c2c(=O)n1C	14953966	CYAKDIJEPAWQMA-HNNXBMFYSA-N	393.451	0.281	30	1	GCEF	
COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@H](OC(C)=O)[C@H]3O	84759289	DVJQEKCWICUQJN-KSZLIROESA-N	378.333	0.279	30	1	GCEF	
O=C(OCCN1CCCCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168664	PRDLNXPZAMTUPB-NEPJUHHUSA-N	377.419	0.019	30	1	GCEF	
NC(N)=NCCC[C@H](NC(=O)c1cccc2c(=O)c3ccccc3[nH]c12)C(=O)O	5939816	BXUDSAPVYRKZCP-HNNXBMFYSA-N	395.419	0.918	30	1	GCEF	
Cc1cc2c(cc1C(=O)N=C(N)N)S(=O)(=O)C[C@]2(O)C(=O)c1ccccc1	27210794	LWFDFBCEKYABBN-GOSISDBHSA-N	387.417	0.266	30	1	GCEF	
NC(N)=N/N=C/c1ccc(NC(=O)Nc2ccc(/C=N/N=C(N)N)cc2)cc1	111468231	PXRLLXOTYBUUCC-HHAMRVRLSA-N	380.416	0.545	30	1	GCEF	
C=C1C[C@@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	257418693	FQTLNSKVFLETSS-SRBDMZMDSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)CC(=C)[C@]1(O)CC=C(C)[C@@H]21	2356594717	FYELXSMRGZZTNO-YNIGFRRXSA-N	376.405	0.564	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C3=CC(=O)[C@@](C)(O3)[C@H](O)[C@@H](OC(=O)C(=CC)CO)[C@H]12	2356644187	VZEOYVPTUSFQTE-UJRRQQMQSA-N	390.388	0.497	30	1	GCEF	
NC(N)=NCCCCCC(=O)N[C@@H]1CCN(C(=O)[C@@H](N)Cc2ccccc2)C1	13580425	JLBREKNUZDZQDE-SJORKVTESA-N	388.516	0.107	30	1	GCEF	
O=C(CCN1C(=O)c2ccc(NC(=O)c3ccccc3)cc2S1(=O)=O)NO	103266777	QJVJGBPIGULQTN-UHFFFAOYSA-N	389.389	0.979	30	1	GCEF	
CN1CC[C@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O	205308501	GRTRHWLOIVWHQD-LJQANCHMSA-N	383.429	0.789	30	1	GCEF	
C#CCN1C(=O)COc2cc(F)c(-n3nnc4nn(CCC)cc4c3=O)cc21	98084271	MTWDPFUYJZHRIV-UHFFFAOYSA-N	382.355	0.885	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@@H]2C(=C)C(=O)O[C@@H]2C=C(C)C(=O)O[C@](C)([C@@H](C)O)[C@@H]1O	2356532694	UNYWYFFFHHQZSP-JHKFUBFRSA-N	380.393	0.576	30	1	GCEF	
COC[C@@H]1C(=O)[C@@]23C[C@H]1CC[C@@H]2[C@]1(CO)[C@H](C[C@H](O)C(C)(C)[C@H]1C=O)OC3=O	2356673589	QPEQEZCPFMGPAC-RBIVCCKHSA-N	394.464	0.744	30	1	GCEF	
CN1CCN(c2ccc(C[C@@H](C#N)NC(=O)[C@H]3N[C@@H]4CC[C@H]3C4)c(F)c2)C(=O)C1	219310689	HXBNPWRCCJXQEN-QOIOWGMHSA-N	399.470	0.795	30	1	GCEF	
CO[C@@H]1[C@H]2OC(=O)[C@H]([C@@H]2C(C)C)[C@]2(O)[C@H]3O[C@H]3[C@]3(C[C@@H]([C@@H](C)O)C(=O)O3)[C@]12C	255288119	ZZBIHAVENDMJFR-PMGUPJJYSA-N	396.436	0.030	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	257381541	AVZCSGMWWXMJEA-MJKDIANPSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@H]12	2356690912	PWSUYVPATIVWCL-NOKMLUSISA-N	398.452	0.156	30	1	GCEF	
CO/N=C/c1cn(-c2ccc(N3C[C@H](CNC(C)=O)OC3=O)cc2F)nn1	28094228	GTUBRVXIOOUIKJ-XLYNVKOHSA-N	376.348	0.848	30	1	GCEF	
C=C1C(=O)O[C@@H]2/C=C(\C)[C@H](O)CC(=O)[C@@](C)(O)[C@@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12	238754920	MEMMEVBUUCPXSU-FKWRTYJDSA-N	394.420	0.354	30	1	GCEF	
NS(=O)(=O)c1ccc(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)cc1	103917370	XNRPGUXFXWFZEY-OUKQBFOZSA-N	392.824	0.780	30	3	GCEF	
CCCCCCC#Cc1cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c(=O)nc2o1	43491194	URZSAMCTZNIHKO-YFHUEUNASA-N	376.409	0.923	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)N2CCN(C)CC[C@H]2C(=O)NO)cc1	58538664	UNINFAIJOLFFHN-INIZCTEOSA-N	381.454	0.289	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@]1(C)[C@H](OC(=O)C(C)=CC)C[C@H](O)[C@@]3(CO3)[C@@H]21	2356396459	LPMAKGLMXUQHNZ-RMVYBZJPSA-N	378.421	0.883	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OCC(C)=CC)[C@H]12)O3	2356466056	QNXWVHCKGBQQSD-ASZLNGMRSA-N	380.437	0.987	30	1	GCEF	
CC(=O)O[C@H]1C2=C(CO[C@]13O[C@@H](C)CC[C@H]3OC(C)=O)C(=O)[C@@](C)(O)[C@@H](O)C2	2356719012	MPVZXVXIZMIJFZ-BVWCNZNNSA-N	398.408	0.157	30	1	GCEF	
COC(=N)[C@]12C(N)=NC(OC)(OC)[C@@]1(C#N)[C@]21C(=O)N(c2ccccc2)N=C1C	6002746	YEPKROLUGXJIOG-OKZBNKHCSA-N	396.407	0.847	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12COC(=O)[C@@](C)([C@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)C2	238749405	RERZXVXKJOZXIL-FZKMCIPKSA-N	378.421	0.325	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)C(=O)[C@@H]1O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	2356568971	RDNBTHMQYKALRD-MGTOQMIZSA-N	380.393	0.304	30	1	GCEF	
CC=CC=CC(O)=C1C(=O)[C@@]2(C)C(=O)[C@](C)(O)[C@H]1[C@]1(O)CO[C@@](C)(CO)C[C@H]21	2356791712	IXDCDHNDDADZSP-AQKWCWEESA-N	392.448	0.988	30	1	GCEF	
C=C1CC(=O)/C=C(\C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H]2C[C@@H]([C@@]3(C)CO3)[C@H](O)[C@]1(O)O2	169293275	HSSPWYAJKLQQPG-GTTMXWLGSA-N	392.404	0.158	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](O)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12	238754031	DWAUXXXGNFAKQL-FQUIWWNOSA-N	394.420	0.166	30	1	GCEF	
C/C(=N\OC(CO)CO)c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1	96170326	HYDKBFWOKQQCIF-WYMPLXKRSA-N	393.407	0.912	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@H](O)CO3)C1=O	219500011	LCQFWABXVYPPQW-BLVKFPJESA-N	399.428	0.280	30	1	GCEF	
CC(=O)OC[C@]12[C@H](C=C(C)[C@H](O)[C@@H]1O)O[C@@H]1[C@H](OC(C)=O)C[C@@]2(C)[C@@]12CO2	100257527	JSKXQQKSUOVSKS-KRYDYKSRSA-N	382.409	0.096	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@H](OC(=O)C(=CC)CO)[C@H]12)O3	2356377960	RBPBHKBVZNHLLE-DOHHPOSVSA-N	390.388	0.499	30	1	GCEF	
C=C1[C@@H](O)[C@@H](OC(=O)C(=CC)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]2C(C)=C[C@@H](O)[C@@H]12	2356539966	HWMRAVUGIAMNQB-NYLIRDPKSA-N	376.405	0.419	30	1	GCEF	
COC1=C[C@H](C)[C@@H]2C[C@@H]3OC(=O)C[C@@H]4[C@@H]3[C@H]([C@H](O)[C@H](O)[C@]4(C)O)[C@@]2(C)C1=O	2356709469	FWRJMYHVRDNRRQ-RUJBPMTFSA-N	380.437	0.412	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@@H](OC(=O)C(=CC)CO)[C@H]12	2356714820	KTIMAJCYRZCUKX-KZNAEPCWSA-N	378.421	0.956	30	1	GCEF	
COC(=O)[C@@H](/C(=N/N)C(=O)Nc1cccc(O)c1)c1nc2ccccc2[nH]c1=O	17216121	SFWIMGNOZCIEAB-AEXIOTRNSA-N	395.375	0.839	30	1	GCEF	
O=C(/C=C\c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1	238787557	AFFCSQROTFZBBI-KPEBIUJKSA-N	386.400	0.761	30	1	GCEF	
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26023460	AFXXHYCYAQRFSK-BZSNNMDCSA-N	398.548	0.881	30	1	GCEF	
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N	26296426	ZLCZQDBYYWURNK-JLKNBBFOSA-N	375.360	0.718	30	1	GCEF	
N/N=C1\C(=O)N(CCc2ccccc2)C(=O)[C@@H]1C(=O)NCCc1ccccc1	102943548	SNIXUUSVOADQCO-BMCXAMSBSA-N	378.432	0.888	30	1	GCEF	
CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)c4ccccc43)c2)C1=O	1857640180	UCHCPLATALPXSM-FQEVSTJZSA-N	375.388	0.464	30	1	GCEF	
O=C(O)C1=CC(=CC=N[C@@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@H](C(=O)O)N1	2356532808	YSNPSKZBOQYUHH-WCQYABFASA-N	390.348	0.506	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/C)C3=CC(=O)[C@](C)(O3)[C@@H](O)[C@@H](OC(=O)/C(=C/C)CO)[C@@H]12	15159041	VZEOYVPTUSFQTE-VGFLSUGNSA-N	390.388	0.497	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2ccsc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73224178	BZUSBTWLBKBUGB-JHEVNIALSA-N	380.857	0.688	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(=C)CC(=O)/C=C(/C)C[C@@H]3OC(=O)[C@]24O[C@@H]34)[C@H]1O	196522524	YVCKUIYFOOOQJA-GJWMGFIOSA-N	376.405	0.946	30	1	GCEF	
CC(=O)O[C@@H](C=C[C@@H]1O[C@@H]1[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O)[C@@H](C)OC(C)=O	2356504576	WSMOXQBLJXEQNX-FSACTGGGSA-N	382.365	0.607	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)[C@H](C)CC)C[C@](C)(O)[C@@]1(O)[C@H]2[C@@]2(C)O[C@H]2[C@H]1O	2356531529	BXHVKGAAZHPUIH-YEDJSLKKSA-N	396.436	0.076	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(CO1)[C@@H]1CC=C(C)[C@@H]21	2356762207	HUWHDSWKOJKFSR-PEUATVKMSA-N	376.405	0.662	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C(=O)O[C@H](C)[C@](C)(O)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]12	2356778985	ISIOGBQKYACMTR-DGCOOHABSA-N	394.420	0.966	30	1	GCEF	
C=CC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@@H]3[C@@H](N3C)[C@@]1(OC)[C@H]2COC(N)=O	100998940	USIKNXKJPBTBMN-VTKBFBMJSA-N	388.424	0.348	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(=C)CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@@H]34)[C@H]1O	2356387569	YVCKUIYFOOOQJA-CKSMNCTJSA-N	376.405	0.946	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@@]1(C)[C@@H]2[C@]2(CO2)[C@@H](O)C[C@H]1OC(=O)C(C)=CC	2356396458	LPMAKGLMXUQHNZ-QKSIJRTLSA-N	378.421	0.883	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CC[C@@H]3O[C@]3(COC(C)=O)C[C@H](OC(C)=O)[C@H]12	2356420433	AMOCTMOKYBTADW-RDHIYWLCSA-N	380.393	0.819	30	1	GCEF	
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=N\C3CCCCC3)N21	61942191	YEHCQLQJBSBARB-SUCJYFCSSA-N	390.484	0.858	30	3	GCEF	
C=C(C)[C@H]1C[C@@H]2O[C@@](O)(/C(C)=C\C(=O)/C=C(/C)C[C@H]3OC(=O)[C@@]24O[C@H]34)[C@@H]1O	102953938	NYQXKINSRDCSCG-CKUJFVHVSA-N	376.405	0.946	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)C(=O)[C@H]3O[C@@H]3[C@](C)(O)C[C@@H](OC(=O)/C(C)=C\C)[C@H]12	238767686	SUBGEMJEVFBRLC-HUSKELRDSA-N	392.404	0.372	30	1	GCEF	
CC(C)[C@]12O[C@@H]1[C@@H]1O[C@@]13[C@]1(O[C@H]1C[C@H]1C4=C(C[C@@H](O)[C@]13C)C(=O)OC4)[C@H]2O	2356866176	WECOTFPINDNFMA-HUIHLVCQSA-N	376.405	0.074	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3ccc(C)c(Cl)c3)[C@@H]21	2356875366	ZPHLBDRLDIQPFY-CHUNWDLHSA-N	393.896	0.571	30	1	GCEF	
C[C@H]1C[C@@]2(C)O[C@H]2C(=O)O[C@H]2CCN(C)CC=C(COC(=O)[C@]1(C)O)C2=O	238746400	ZRIQEDVCFTZLLQ-FZISFDLTSA-N	381.425	0.221	30	1	GCEF	
C[C@]12CC(=O)[C@H]3[C@@H](C[C@H](O)C4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)CO	2356534375	BCHHPSBWEQCAPG-OKGUGYHTSA-N	376.449	0.961	30	1	GCEF	
C/C=C(\C)C(=O)O[C@H]1C[C@@H]2[C@@]3(C)O[C@H]3[C@H]3OC(=O)[C@@H](CO)[C@H]3[C@H](O)[C@]23O[C@]13C	85964347	CEWJOPKSFGXYQJ-XXOQKWFXSA-N	394.420	0.094	30	1	GCEF	
O=C(Nc1ccc2c(c1)CCNC2)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168617	XXIFWUYINSCSPL-KGLIPLIRSA-N	396.425	0.274	30	1	GCEF	
COc1cccc(-n2cc(CNC(=O)N[C@@H](CC(C)C)C(=O)NO)nn2)c1	1857551097	ZAALCJYRWXTQKS-HNNXBMFYSA-N	376.417	0.995	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(C)=O)[C@]1(C)[C@@H](O)C[C@H](O)[C@H]1[C@H](C)[C@H]2OC(C)=O	238783880	DBJWOTDYVYVATC-LPYWMSFVSA-N	382.409	0.345	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@@H]2O[C@@H]2[C@H]2O[C@@H]21)C(=O)OC	253666682	DJQAYXQSWDXHIP-PYUJWTBKSA-N	393.436	0.576	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C3=CC(=O)[C@@](C)(C[C@@H](OC(=O)C(=CC)CO)[C@H]12)O3	2356377961	RBPBHKBVZNHLLE-MXHNKVEKSA-N	390.388	0.499	30	1	GCEF	
CN(CC(=O)N1CCC(CC(=O)O)CC1)C(=O)c1ccc(CN=C(N)N)cc1	26255237	IJNQCBWDZCUVLJ-UHFFFAOYSA-N	389.456	0.245	30	1	GCEF	
COCC1(COC)Oc2ccc(C#N)cc2[C@@H](Oc2ccc(=O)n(C)n2)[C@@H]1O	27211909	DBTURUWKPCKEQX-MSOLQXFVSA-N	387.392	0.557	30	1	GCEF	
COc1ccc2c3c1O[C@H]1/C(=N\OCC(=O)O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314	34323168	ZIKBKYLXRPUWMR-YEYBPYOYSA-N	388.420	0.936	30	1	GCEF	
C=C1C[C@@]23C[C@@H]1[C@@H](O)C[C@@H]2[C@]1(C(=O)O)CC[C@H](O)[C@](C)(C(=O)O)[C@H]1[C@@H]3C(=O)O	85799958	LKLDZCIWUDJQCF-QXGJWONMSA-N	394.420	0.967	30	1	GCEF	in-man
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	101132572	DJQAYXQSWDXHIP-WXWBNVPESA-N	393.436	0.576	30	1	GCEF	
CCCCNC(=O)NCCc1c[nH]c2c1C(=O)C1=C(NC=CS1(=O)=O)C2=O	1857554642	YYEBNYKTOBUYBU-UHFFFAOYSA-N	392.437	0.736	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)C(C)=CC)[C@@H]12)O3	2356408043	SNUZCOSRHAIVKC-BGBSZCBUSA-N	396.436	0.593	30	1	GCEF	
CC(C=C[C@@H]1C(C)=CC[C@H](O)C1(C)C)=C[C@H](O)[C@]12O[C@@H]1[C@@H](O)C(CO)=C[C@H]2O	2356747361	MFBZDUOKEXHQGD-MTDDFFLCSA-N	392.492	0.995	30	1	GCEF	
C[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C=O)CCCN=C(N)N)c1ccccc1	26937113	JXRKSYPTADMDFW-UAGQMJEPSA-N	387.484	0.518	30	1	GCEF	
C=C1[C@@H]2C[C@H](O)[C@H]3[C@@]45CCCC(C)(C)[C@H]4[C@H](O)[C@@](O)(O[C@@H]5OC)[C@@]3([C@@H]1O)[C@@H]2O	101916635	MQFOWMSWYZXMPL-OZJHOVKHSA-N	396.480	0.140	30	1	GCEF	
COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@H](O)/C=C/C[C@H](C)OC2=O	139292725	NWBBODCXRAHUEM-GJCWSATPSA-N	380.393	0.819	30	1	GCEF	
O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O)cc3C[C@@H]2C(=O)O)C[C@@H](C(=O)O)N1	71756651	XHJKHSXHWJCBLX-WCQYABFASA-O	389.340	0.163	30	1	GCEF	endogenous,in-man
O=C1Nc2ccc(S(=O)(=O)NCCO)cc2/C1=C1/Nc2ccccc2C1=O	100574590	WXGNAMBFMGUISZ-NXVVXOECSA-N	385.401	0.929	30	1	GCEF	
C[C@]12C[C@H](O)[C@H]3[C@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CC[C@]2(O)C(=O)CO	255274044	VTKZCTNCIDPUEE-REGBTXAMSA-N	378.465	0.754	30	1	GCEF	
CC1=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](O)[C@@H]2C(C)=CC[C@H](O)[C@]2(C)[C@H](O)[C@@H](O)C1	2356588493	WUKXQWFCPWEFDX-QNKDHHGLSA-N	380.437	0.206	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(=C/CO)CO)C[C@@](C)(O)[C@@H]1CC=C(C)[C@H]21	238742757	DYAHLLPCEAGRPJ-XWPADHPYSA-N	378.421	0.644	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C\[C@@H]2OC(=O)C(=C)[C@@H]21)[C@@H](O)CO	238743596	ZTDFZLVUIVPZDU-IUTSMEOZSA-N	378.421	0.954	30	1	GCEF	
CN(O)C(=O)CCCC(=O)NCC(C)(C)CNC(=O)CCCC(=O)N(C)O	5579326	XRWCFBQDOYNLHT-UHFFFAOYSA-N	388.465	0.281	30	1	GCEF	
C=C1[C@@H]2CC[C@H]3[C@]45[C@@H](O)CCC(C)(C)[C@H]4[C@H](O)[C@@](O)(O[C@H]5OC)[C@@]3([C@@H]1O)[C@@H]2O	96915225	IGWYEXHQPGSZHK-YMPALTQQSA-N	396.480	0.140	30	1	GCEF	
O=C(NO)c1cnc(N2CCO[C@H](CN[C@@H](/C=C/c3ccccc3)CO)C2)nc1	45358096	ZYAUSXQMBKTROG-ZGKJDNBHSA-N	399.451	0.465	30	1	GCEF	
CN1CC[C@]23C(=O)C[C@@H]4[C@H]5[C@H](CC(=O)N(c6c(O)cccc62)[C@@H]53)OC[C@H]2O[C@]24C1	238730661	LNLMCLDEZUWTRG-AISFUIKWSA-N	396.443	0.826	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@]21O	254136659	ADBOAFOIAMBXJT-AEVJVHHESA-N	376.405	0.803	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H](C(=C)C(C)=O)[C@@H](OC(=O)C(=C)CO)C2	2356615172	XIAJIWWHTWNYLB-HRJHHYPFSA-N	376.405	0.874	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](O)[C@@]1(C)[C@@H](O)C[C@@H](OC(=O)CC(C)C)[C@H]1[C@@H](C)[C@H]2O	2356631791	OKSQNWDMNROCEX-WIYRNIDVSA-N	382.453	0.801	30	1	GCEF	
CCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(C)c(=O)[nH]c1=O	43574846	HVAMJOLLDMBJTD-JJAZEVLHSA-N	384.429	0.368	30	1	GCEF	
C=C(O[C@H]1/C=C(/CO)C2=CC(=O)[C@@](C)(C[C@@H]3OC(=O)C(=C)[C@@H]13)O2)C(=O)OC	238764913	CXAAAQLJZJSLPB-RPKZKWDZSA-N	376.361	0.720	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1[C@H](O)[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@]3(CO3)[C@H]21	2356760874	SCYULBYWDDKXSN-FZOQZOMPSA-N	376.361	0.348	30	1	GCEF	
CCC[C@H]1CCCCN1C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29569425	FOTHOLWACKDDPD-OLMNGRFOSA-N	395.504	0.425	30	1	GCEF	
N#Cc1cccc(CSc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1	40892626	DDIQRQKCXUJAII-SCFUHWHPSA-N	399.432	0.602	30	1	GCEF	
C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(C#CCN(C)C)cnc2O[C@H]1CN(C)C	95712349	ZAUQWYYYMXHWKM-MDZRGWNJSA-N	388.512	0.776	30	1	GCEF	
CS(=O)(=O)C[C@H](NC(=O)c1ccc(C#Cc2ccccc2)cc1)C(=O)NO	96910104	YLCRBTZFEVWZPL-KRWDZBQOSA-N	386.429	0.735	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@]21O	254136662	ADBOAFOIAMBXJT-JYLXXJJHSA-N	376.405	0.803	30	1	GCEF	
CCOC(=O)[C@@H]1O[C@]12CC[C@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665304	RUQQPVXMOKJQCG-MHBAINHESA-N	387.432	0.877	30	1	GCEF	
C=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@]2(C)[C@@H](C1)C(C)=CC[C@H]2O	238747893	YCPOPAUEGHAQIJ-CJRFFIMPSA-N	398.496	0.493	30	1	GCEF	
C[C@@H]1[C@H](O)C[C@]23COC(=O)[C@]2(O)[C@@H]2O[C@@H]2C[C@@H]3[C@@]12C[C@H](c1ccoc1)OC2=O	2356629219	VYKKARPJZXXUQF-FMYMUQERSA-N	390.388	0.716	30	1	GCEF	
C=C1C[C@@]23C[C@H]1[C@H]1C[C@H]2[C@]2(C[C@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]2[C@H]3C(=O)O)C(=O)O1	2356525006	TUPQTEAXZZYYGA-SEXUCAPXSA-N	392.404	0.418	30	1	GCEF	
COCC#Cc1ccc([C@H]2[C@H]3CN(C(=O)C4CCC4)CC(=O)N3[C@H]2CO)cc1	95797711	KCHQXIBFRAJOHB-DYXWJJEUSA-N	382.460	0.982	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@](O)(C[C@@H]2O)/C(CO)=C\[C@@H]2OC(=O)C(=C)[C@@H]21	95919148	VTEAXXDANDDCCN-SEYXVFAESA-N	380.393	0.123	30	1	GCEF	biogenic,in-vitro
C=C1C2=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]3(C)CO3)[C@@H]3C(=C)C(=O)O[C@H]3[C@H]1O)O2	2356466740	QVKWPZOAHZHGFQ-XSBZVSJNSA-N	376.361	0.348	30	1	GCEF	
C=C(C)[C@@H]1C[C@]2(C)C(=CC(=O)C[C@H]2C)C=C1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356670179	COXRJHSETJGOOL-ICLAFPSPSA-N	394.464	0.824	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@H](CO)[C@@]3(O)C[C@@H](O)[C@](C)(C[C@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	85722714	SNUZCOSRHAIVKC-GNEVNXRMSA-N	396.436	0.593	30	1	GCEF	in-man
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	253693498	ZIJMHFXHKCZCCK-DYFRMJEVSA-N	382.409	0.336	30	1	GCEF	
CCOC(=O)[C@H](C)NP(=O)(CCCC(=O)N(C)O)N[C@@H](C)C(=O)OCC	1857542179	RZFPWVGMLJCTJT-RYUDHWBXSA-N	395.393	0.890	30	1	GCEF	
O=C1Oc2c(O)cccc2[C@@]2(O)C[C@H]1[C@]13O[C@]21C(=O)c1c(O)cccc1C3=O	2356755864	AAJNAPPNFBZHCQ-ZYHBXEDKSA-N	380.308	0.811	30	1	GCEF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4C[N@@+]([O-])(CCO)[C@@H]2C(=O)N(C)[C@H]3C1)OCO5	1857629094	MMFJGIVZJLNTFO-ZAKLYRJJSA-N	388.420	0.658	30	1	GCEF	
NC(N)=NCCCCCC(=O)N[C@@H]1CCN(C(=O)[C@H](N)Cc2ccccc2)C1	26986202	JLBREKNUZDZQDE-IAGOWNOFSA-N	388.516	0.107	30	1	GCEF	
N#CCNC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)NC(=O)c1ccncc1	82064792	PHHODGGHWSOOMM-INIZCTEOSA-N	386.433	0.435	30	1	GCEF	
O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CCCO)ccc1-2	142942725	GITIKJVOXNTBIV-QGZVFWFLSA-N	382.416	0.995	30	1	GCEF	
O=C(CN1C(=O)C2(OCCO2)c2ccccc21)Nc1ccc(C(=O)NO)cc1	223286814	CPXFYHOXCAANLD-UHFFFAOYSA-N	383.360	0.991	30	1	GCEF	
CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN(C)/C(=N/Cc3ccccc3)N21	104188702	SGXSGMUKQNIHAM-IUVRTWELSA-N	398.463	0.725	30	3	GCEF	
C=CCCCCSc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49018462	WURHLJKAHCLJRT-CGEWXTDFSA-N	381.458	0.468	30	1	GCEF	
CC(=O)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(C#Cc4cccnc4)cc3)[C@@H]2C1	95795844	GZUVWCYBIDXRNG-ONTIZHBOSA-N	375.428	0.999	30	1	GCEF	
C[C@@]12C[C@@H](c3ccoc3)OC(=O)[C@]1(O)CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(O)[C@H]1O[C@@H]21	169670792	XDJMDNAHFNLMKP-LLRSCGCFSA-N	390.388	0.859	30	1	GCEF	
C=C1C2=CC(=O)[C@@](C)(C[C@H](OC(=O)[C@]3(C)CO3)[C@H]3C(=C)C(=O)O[C@@H]3[C@@H]1O)O2	525915089	QVKWPZOAHZHGFQ-XLRWHONJSA-N	376.361	0.348	30	1	GCEF	biogenic
C=C1C(=O)O[C@@H]2C[C@](O)(CO)[C@H](O)C[C@@H]3O[C@]3(C)C[C@@H](OC(=O)C(C)=CC)[C@@H]12	2356657292	AQWYQKBXSZYHMI-PVWYTQBRSA-N	396.436	0.388	30	1	GCEF	
CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](NC(=O)Nc2cccc(C#N)c2)[C@H]1O	2356854747	RRXZAFPQNOZMTK-ICUGJSFKSA-N	389.456	0.026	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	101348957	ZIJMHFXHKCZCCK-TZYSGOGDSA-N	382.409	0.336	30	1	GCEF	
Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC[C@@H]4N)[nH]c23)c(C#N)n1	473108280	LXDDQHJOKPIMHL-QWHCGFSZSA-N	379.428	0.690	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c([C@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1	587222783	ZXMSUGOKKHJRLW-ZJUUUORDSA-N	393.787	0.912	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@H]21	2356510195	PWJPDPKHMIOIIC-APDUIZJOSA-N	376.405	0.659	30	1	GCEF	
NC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc2c(Cl)cnc(N=C(N)N)c2c1	14960831	NMLXXSFWQSUYTC-GFCCVEGCSA-N	396.860	0.432	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@H](O)[C@@H]2[C@@]12COC(=O)[C@](C)([C@H]1[C@@H]3C(=O)O)[C@@H](O)[C@@H](O)C2	104365988	RERZXVXKJOZXIL-UKZSPHSWSA-N	378.421	0.325	30	1	GCEF	in-man
C[C@@H](Oc1cc(C(=O)N2CCC[C@@H](N)C2)nn1-c1ccc(C#N)cc1)C(N)=O	1772611984	GXWUBLOAKXBSNV-TZMCWYRMSA-N	382.424	0.560	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@H](O)C=C(C)[C@]21O	2356533346	ADBOAFOIAMBXJT-SHBKNEMZSA-N	376.405	0.803	30	1	GCEF	
CCCCNC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C[C@](C)(O)[C@H](O)[C@H]3O	201831330	TXFOYQKRGBVMDX-OTWHNJEPSA-N	377.393	0.452	30	1	GCEF	
CCOC(=O)c1cn(C[C@H]2CC(=O)N2OS(=O)(=O)c2ccc(C)cc2)nn1	473116723	XMXUCTWTJWFQJB-GFCCVEGCSA-N	394.409	0.685	30	1	GCEF	
COC(=O)[C@@H](CCCN=C(N)N)NS(=O)(=O)c1cccc2ccccc12	27893757	HAHQSRBFKWFRFM-CQSZACIVSA-N	378.454	0.713	30	1	GCEF	
N#C[C@@H]1[C@H](c2ccc(-c3cncnc3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1	95897998	BGDYSSQWKBYNJL-DYXWJJEUSA-N	393.447	0.655	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(C)=C1[C@H](O)[C@H](O)[C@](C)(O)[C@H]12	2356286899	BBZPFHHMPSIYMT-UIGNGURZSA-N	378.421	0.785	30	1	GCEF	
C=C[C@]12COC(=O)C(=C)[C@@H]1[C@H](O)[C@H]([C@@H](C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C2	2356553544	DXPZBIQCCNPZKD-MXBRAWIKSA-N	380.393	0.450	30	1	GCEF	
CCCCCCC#Cc1nc2c(ncn2[C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	49774336	DBHBIZXIRLVAKZ-FSUOKIBISA-N	376.413	0.053	30	1	GCEF	
C/C=C(/C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)O)[C@@H]1C(C)C	238751056	PKFUSHXXVZSPEC-KKIVPWIHSA-N	398.452	0.682	30	1	GCEF	
C=C1C(=O)[C@@]23C[C@H]1C[C@H](O)[C@@H]2[C@]12CO[C@@H]4OC[C@](C)([C@H](O)C[C@@H]1OC3=O)[C@@H]42	2356733180	CORVIGTUSONGEO-VTEHKZDISA-N	376.405	0.184	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2nccs2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	82158474	RNAGMUDFTQWHHO-QNKRVWAESA-N	381.845	0.083	30	1	GCEF	
CCOC(=O)c1cn(C[C@@H]2CC(=O)N2OS(=O)(=O)c2ccc(C)cc2)nn1	473116724	XMXUCTWTJWFQJB-LBPRGKRZSA-N	394.409	0.685	30	1	GCEF	
C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N)c1ccccc1	13765395	JXRKSYPTADMDFW-PVAVHDDUSA-N	387.484	0.518	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OCC(C)=CC)[C@@H]12)O3	2356466057	QNXWVHCKGBQQSD-NGDUPAHQSA-N	380.437	0.987	30	1	GCEF	
C[C@]1(CO)CCC[C@]2(C)[C@@H]3C[C@]45O[C@@H]4[C@H](O)[C@]4(CO)O[C@@H]4[C@]5(O)CC3=CC[C@@H]12	2356718255	OYLVOLOSQHRPLK-LJKZDLHMSA-N	392.492	0.905	30	1	GCEF	
O=C1C[C@@H](O)[C@]23Oc4ccc(O)c5c4[C@](Oc4cccc1c42)(O3)[C@@H]1O[C@@H]1[C@H]5O	32036222	BCPICRNXIKGDCQ-LZVSGGPWSA-N	382.324	0.961	30	1	GCEF	
CC(C)NC(=O)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(C#CCN(C)C)cc3)[C@H]2C1	95869572	MQRMNHBIWMSUQW-SFHLNBCPSA-N	398.507	0.689	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/CO)[C@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@H]12)O3	195495206	LJFIVFJQZWRSAJ-KMGLJPTJSA-N	394.420	0.513	30	1	GCEF	
C[C@](O)(C#Cc1cc2c(cc1F)OCCn1cc(C(N)=O)nc1-2)C(=O)NC1CC1	215738912	PBULEEQKQSTBAM-FQEVSTJZSA-N	398.394	0.562	30	1	GCEF	
C/C(=C\C(=O)O[C@H]1C[C@H](C)C2=CC(=O)[C@](C)(/C=C3/OC(=O)C(CO)=C31)O2)CO	238743693	DBMGPEMMKIFUBP-FMUWXZMVSA-N	390.388	0.848	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c([C@@H](CCC(=O)O)NC(=O)[C@H](N)CC(=O)O)nc2c1	587222770	ZXMSUGOKKHJRLW-NXEZZACHSA-N	393.787	0.912	30	1	GCEF	
C=C[C@@H]1[C@H](C)[C@H](OC(=O)C(=C)[C@H](O)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1C(=C)CO	2356628320	OPEDAEVRMIIPOS-UONMCVROSA-N	378.421	0.522	30	1	GCEF	
C=C(C(=O)O[C@H]1C/C(C)=C/CC/C(CO)=C\[C@H]2OC(=O)C(=C)[C@H]12)[C@H](O)CO	100076534	ZTDFZLVUIVPZDU-CATNKTEESA-N	378.421	0.954	30	1	GCEF	biogenic,in-vitro
CC(=O)OC[C@]12CC(=O)C(C)=C[C@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	169372883	DQSOKUXXNKVRAY-HFIIQJISSA-N	378.377	0.512	30	1	GCEF	
CN(C)c1ccnc(NC(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)c1	207079039	LUEMNFVXJULDIV-QWRGUYRKSA-N	385.402	0.089	30	1	GCEF	
C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C=C[C@]2(C)O	523041537	KNBQELVVKBFJKR-IEUHGJCMSA-N	376.405	0.420	30	1	GCEF	biogenic
COc1ccc(S(=O)(=O)N[C@H](CCCNC(=O)C(C)C)C(=O)NO)cc1	26182419	RRXINIAKIWVKOL-CQSZACIVSA-N	387.458	0.400	30	1	GCEF	
COC1(OC)C[C@H](C)[C@@]23O[C@@]24C2=CC(=O)C=CC2=N[C@H]3C#C/C=C\C#C[C@@]14O	299857620	OAGMOQFBOHDCHJ-YRFYHFPPSA-N	377.396	0.719	30	1	GCEF	
CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(C(=O)O)c(F)c1	43799493	SOFNCOJAPOPJQL-UHFFFAOYSA-N	399.418	0.283	30	1	GCEF	
C#CCn1c(=O)c2c(nc3n2CCCN3CCc2ccc(OC)cc2)n(C)c1=O	103251230	POSAETBGNVHIOB-UHFFFAOYSA-N	393.447	0.991	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@]21O	2356533345	ADBOAFOIAMBXJT-MJLSJUQGSA-N	376.405	0.803	30	1	GCEF	
C=C1C[C@]23C[C@H]1C[C@@H](O)[C@@H]2[C@@]12COC(=O)[C@](C)([C@@H](O)[C@H](O)C1)[C@@H]2[C@H]3C(=O)O	100778415	RERZXVXKJOZXIL-UDLDEZHQSA-N	378.421	0.325	30	1	GCEF	endogenous,in-man
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)[C@H](OC(=O)C(C)=CC)C(C)=C1[C@H](O)[C@@H]3O[C@@]3(C)[C@H]12	2356406357	UIXYMAJVRZFHBB-HFGNGLNTSA-N	376.405	0.801	30	1	GCEF	
CC(C)[C@@](O)(C(=O)OCC1=CCN2CC[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12)[C@@H](C)O	238762598	BWOZGTYKNKJGQD-JYVNSGPYSA-N	397.468	0.401	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@H](OC(=O)/C(C)=C/C)[C@@H]12)O3	254145256	LJFIVFJQZWRSAJ-HWIQWMRTSA-N	394.420	0.513	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@]21O	257491583	NFHWFFQENCGSQZ-QQMMVNIISA-N	376.405	0.801	30	3	GCEF	
O=C(C[C@@H](O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1)NO	26667375	ASRFRSRVSIBGSP-DLBZAZTESA-N	385.420	0.287	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@@]2(C)[C@@H]3[C@]4(O)OC[C@]35[C@H](C[C@H]12)OC(=O)C[C@@H]5[C@H](C)[C@H]4O	257567066	VLYMLZRDCSQUQF-JDQMVOCTSA-N	378.421	0.166	30	1	GCEF	
C[C@H]1C[C@@]23OC(=O)C4=C2O[C@]1(C)[C@@H](O)[C@@H]3[C@H]1O[C@H]1C(=O)[C@@](C)(O)C[C@@H](C)C4=O	2356680322	DEDOORYCHRBMCA-NDUWSEQVSA-N	392.404	0.038	30	1	GCEF	
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](C)[C@H](CC(=O)O)[C@]13COC(=O)[C@H]23	238734186	HEARPDWGNHOTSL-NBKKPOIJSA-N	392.404	0.714	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@@]3(CO3)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	523041910	WGGJHOUWYPWWIZ-ZFSJEPHTSA-N	378.421	0.979	30	1	GCEF	biogenic
N#Cc1cc(Cl)c2[nH]c(C[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)O)nc2c1	587218418	JDGLGQNZVQKORO-UWVGGRQHSA-N	393.787	0.392	30	1	GCEF	
CCOC(=O)NC1=C(N2C[C@@H]2C)C(=O)C(NC(=O)OCC)=C(N2C[C@@H]2C)C1=O	100970254	DVLVSMSYUQZGPD-ZGQFQNTISA-N	392.412	0.462	30	1	GCEF	
C=C1C[C@@H](OC(=O)/C(=C/CO)CO)[C@H]2C(=C)C(=O)O[C@@H]2/C=C(\C)CC[C@H]1O	238772445	MATHKSWBRWHKPE-CMRJZLKGSA-N	378.421	0.954	30	1	GCEF	biogenic
N#Cc1cc2c(n([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)c1=S)CCCCCC2	263608858	UKPICPQZFRGKQT-JSRQGNBESA-N	380.466	0.721	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@H](CO)[C@@]3(O)C[C@H](O)[C@@](C)(C[C@@H](OC(=O)C(C)=CC)[C@H]12)O3	2356408044	SNUZCOSRHAIVKC-FHHJTUJKSA-N	396.436	0.593	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@]1(C)[C@H](OC(=O)C(=CC)CO)CC[C@]3(CO3)[C@@H]21	2356665438	GYTQOYJFIYKHCR-YNQUTNGASA-N	378.421	0.885	30	1	GCEF	
CC(C)=C1C[C@@]2(C)C(=CC1=O)CC[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2C	257381542	AVZCSGMWWXMJEA-OIPGKBHOSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
C=C[C@@]12COC(=O)C(=C)[C@@H]1[C@@H](O)[C@H]([C@@H](C)C(=O)O)[C@@H](OC(=O)C(=C)CO)C2	238758590	DXPZBIQCCNPZKD-HPQSTYCASA-N	380.393	0.450	30	1	GCEF	
C=C1[C@H](O)[C@@]23[C@@H](O)[C@@H]1CC[C@@H]2[C@@]12[C@@H]([C@@H](O)[C@]3(O)O[C@H]1OC)C(C)(C)CC[C@H]2O	255219484	IGWYEXHQPGSZHK-RWDACUALSA-N	396.480	0.140	30	1	GCEF	
Cc1cc([C@@](C)(O)C#Cc2ccc3c(n2)-n2cc(C(N)=O)nc2CCO3)no1	473194934	XNDAOBGCXZWCFJ-IBGZPJMESA-N	379.376	0.857	30	1	GCEF	
COCC#Cc1ccc([C@@H]2[C@@H](CO)N3C(=O)CN(C(=O)C4CCC4)C[C@@H]23)cc1	95797712	KCHQXIBFRAJOHB-ZVDOUQERSA-N	382.460	0.982	30	1	GCEF	
C=C1[C@H](O)CC[C@@H]2[C@@]3(C[C@@H](c4ccoc4)OC3=O)[C@H](C)[C@@H](O)[C@@H](O)[C@@]12CO	238754295	OKOVUKLUFCRNMX-KHOXCJLASA-N	378.421	0.931	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(C)C[C@H](O)C=C(C)C[C@H](OC(=O)[C@](O)(CO)[C@@H](C)O)[C@@H]12	2356472601	CSLDZLRWNOJBIW-LBAXQKCOSA-N	396.436	0.148	30	1	GCEF	
CC1=CC(=O)CC(C)(C)[C@]1(O)C=C[C@H](C)C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356526536	BDYSVDKPQDAEPO-YTXPXHLXSA-N	384.469	0.088	30	1	GCEF	
O=C(O)C1=CC(=CC=N[C@H](Cc2ccc(O)c(O)c2)C(=O)O)C[C@@H](C(=O)O)N1	2356532809	YSNPSKZBOQYUHH-YPMHNXCESA-N	390.348	0.506	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(C)[C@H](O)CCC(=C)[C@@H]21	2356674844	WLFVPPSXKYSJGO-PVZJGROWSA-N	378.421	0.644	30	1	GCEF	
CC(C)CC(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@H](C)[C@@H]12	2356743425	BDZHFCAKQIOKHS-PXOJSHEMSA-N	398.452	0.300	30	1	GCEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](CO)O2)cc1C(F)(C(F)(F)F)C(F)(F)F	5836135	DNUPNICBYLLDJY-LYFYHCNISA-N	396.215	0.467	30	1	GCEF	
CC#CCOc1ccc(S(=O)(=O)[C@H]2C[C@@H](C(=O)NO)N(C(C)=O)C2)cc1	1772577184	YLKPSGUOQSEIGJ-HOTGVXAUSA-N	380.422	0.357	30	1	GCEF	
CC(=O)O[C@@H]1C[C@@]23[C@H]4C[C@H]5[C@@]6(C)CC[C@H](O)[C@@]5([C@H]4NC6)[C@@H]2C[C@H]1[C@@]1(CO1)[C@@H]3O	2356711837	BVGZGEVHAANCGX-UVMOXNEISA-N	389.492	0.843	30	1	GCEF	
CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@@]1(C)CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2NC=O	1857581470	NKKIQIFTFHYQRR-RWBWCDHPSA-N	387.432	0.857	30	1	GCEF	
N#C[C@@H]1[C@@H](c2ccc(-c3cncnc3)cc2)[C@H](CO)N1C(=O)CN1CCOCC1	95898000	BGDYSSQWKBYNJL-SVFBPWRDSA-N	393.447	0.655	30	1	GCEF	
CCOC(=O)NC1=C(N2C[C@@H]2C)C(=O)C(NC(=O)OCC)=C(N2C[C@H]2C)C1=O	100970261	DVLVSMSYUQZGPD-SKKJJOQGSA-N	392.412	0.462	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2[C@H](O)[C@](C)(O)[C@@H]3[C@@H]2OC(=O)[C@H](C)[C@H]12	2356715929	XOJYVZGODJPTEG-FUNKXXQESA-N	396.436	0.076	30	1	GCEF	
CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26023453	AFXXHYCYAQRFSK-KSZLIROESA-N	398.548	0.881	30	1	GCEF	
CCCCCCCNC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	49771449	BPQAIKZDEHGLBC-LKQDWFRTSA-N	378.433	0.114	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)Nc3ccsc3)CN12	2356839447	LUOHDPGDTHZPSP-RRFJBIMHSA-N	389.481	0.341	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@H](C[C@@]1(O)C(=O)[C@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	101132578	DJQAYXQSWDXHIP-ATEAKAJUSA-N	393.436	0.576	30	1	GCEF	
CCCCN(CC#N)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl	26018513	VYXCUTCNOKFBEG-UHFFFAOYSA-N	397.844	0.889	30	1	GCEF	
CC1=CC(=O)C[C@]2(C)CC[C@@H](C(C)(C)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]12	95912468	OZZNTAYWTGDTHK-AVMQMIKKSA-N	398.496	0.923	30	1	GCEF	biogenic,in-vitro
C=C1C(=O)O[C@@H]2/C=C(/CO)C(=O)C[C@H](O)[C@@](C)(O)C[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12	523042257	VNVRUPDBEIOIML-MLBSBXMSSA-N	396.436	0.436	30	1	GCEF	biogenic
C=C(C)[C@@H]1CC[C@@]2(C)[C@H](O)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C(=C)[C@@H]2C1	2356424418	VGMXDSYTGIFDBM-PHCYRWCUSA-N	398.496	0.491	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@@]1(C)[C@@H]2C(C)=CC[C@H]1O	2356573944	GWJXGILYDSNHLU-BDCPWUBGSA-N	378.421	0.644	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CCO)CO)C[C@]1(CO1)[C@@H]1CC=C(C)[C@H]21	2356762208	HUWHDSWKOJKFSR-QJUXXTNESA-N	376.405	0.662	30	1	GCEF	
O=C(Nc1ccc2c(c1)CNC2)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207074177	OYNSJUWCSSHNSB-STQMWFEESA-N	382.398	0.231	30	1	GCEF	
O=C(Cc1c[nH]cn1)N[C@@H](CCS)C(=O)N[C@H](Cc1ccccc1)C(=O)O	40567443	DEYWZUXMLTYEAB-LSDHHAIUSA-N	390.465	0.569	30	1	GCEF	
Cc1nc([C@@](C)(O)C#Cc2cc3c(cc2F)OCCn2cc(C(N)=O)nc2-3)n[nH]1	219458820	UECRYHYXEPHFDD-IBGZPJMESA-N	396.382	0.866	30	1	GCEF	
C=C1C=C(C)[C@@H]([C@H](O)C[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(C)(C)C1	2356422924	YFGZJFBYIYYGAI-SPGBDCRFSA-N	386.485	0.491	30	1	GCEF	
C=C(CO)C(=O)O[C@@H]1C[C@@]23O[C@@H]2CCC(=C[C@@H]2OC(=O)[C@H](C)[C@@H]21)CO[C@@H]3O	2356511676	GVDXNUSJGXJQEQ-SDWJWHMUSA-N	380.393	0.221	30	1	GCEF	
N=C(N)NCCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O	42920633	FHRJNEDPVPOFPW-RGVLZGJSSA-N	386.250	0.907	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)C(=O)C[C@H](O)[C@](C)(O)C[C@H](OC(=O)[C@H](C)CC)[C@@H]12	2356597820	VNVRUPDBEIOIML-WZSVIGEPSA-N	396.436	0.436	30	1	GCEF	
O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1cccc(C(=O)NO)c1	473107371	IQUZTJUKYUQRIB-UHFFFAOYSA-N	389.389	0.979	30	1	GCEF	
C=C1[C@@H]2[C@@H](C[C@H]1O)C(=C)C[C@H](O)[C@@H]1[C@H](CN[C@H](C(=O)O)C(C)C)C(=O)O[C@H]21	2356682113	NNBPMFMHJCFBIS-ZZVNBANESA-N	379.453	0.717	30	1	GCEF	
N#Cc1c(N)nc2c(c1N)=C(N)SC1=NC(=O)C[C@@H](c3ccccc3Cl)C=21	13110742	DDGBHJLJLPZPIM-QMMMGPOBSA-N	396.863	0.806	30	3	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@]1(O)C(=O)[C@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	101132582	DJQAYXQSWDXHIP-GYKYFNSFSA-N	393.436	0.576	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@@]2(O)[C@@H]([C@@H]3OC(=O)[C@@H](C)[C@H]13)[C@@](C)(O)[C@H]1O[C@H]12	2356391059	IHWZOVIRSYMQAB-JBUMMXFDSA-N	396.436	0.076	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@@H]3[C@@H]1O[C@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@]12CO2	253693205	YOJOUEVWVFOYQS-LOXQETLPSA-N	380.393	0.544	30	1	GCEF	
C[C@H]1CC[C@@]2(O)[C@@]3(C)C[C@@]4(O)O[C@]2(C(=O)[C@@]4(C)C([C@@H](C)CO)=CC3=O)[C@H]1O	100778679	BKRBOORGXGTRIL-RPEZFOKFSA-N	380.437	0.089	30	1	GCEF	endogenous,in-man
COc1cc(O)c2c(c1)[C@H]1O[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)/C=C/C[C@H](C)OC2=O	140299065	NWBBODCXRAHUEM-AUEGCBRDSA-N	380.393	0.819	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@]3(C)OC(=CC3=O)[C@H](C)[C@H](O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12	2356637015	DPWFMICLQOCEEX-YXGQPWEXSA-N	392.404	0.816	30	1	GCEF	
CC(=O)OC[C@@]12[C@H](O)[C@H](O)C(C)=C[C@H]1O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2	85849777	JSKXQQKSUOVSKS-HRRZFAQPSA-N	382.409	0.096	30	1	GCEF	in-man
C[C@@H](O)[C@@H](C=O)[C@@H]1NC(C(=O)O)=C(SC2CN(C3=NCCS3)C2)[C@@H]1C	103557892	PGCJBZBFZXWIGF-CNVPUSNMSA-N	385.511	0.607	30	1	GCEF	in-vitro
C=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(CO)=C[C@@H]2OC(=O)[C@H](COC)[C@@H]21	2356580218	NFTKOFUBUQZORK-VMLCALGTSA-N	392.404	0.843	30	1	GCEF	
CC(C)C[C@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)NO	29328092	SPHJNGSYONHROL-AWEZNQCLSA-N	394.428	0.065	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@H](O)[C@H]3[C@@]3(CO3)[C@@H](O)[C@@H](OC(=O)C(C)=CC)[C@H]12	2356497094	ZDNNJCOUNKNSGH-USELLYAASA-N	376.405	0.659	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1C[C@](C)(O)[C@]23O[C@@H]2C[C@](C)(O)[C@]3(O)[C@@H]2OC(=O)[C@@H](C)[C@H]12	2356563828	NSIQFTFECCWKID-GVTKBDJSSA-N	396.436	0.220	30	1	GCEF	
N#Cc1cnn(CC(=O)Nc2nc3ccc(S(N)(=O)=O)cc3s2)c1N	473108804	ONZHQMXVJMQHDD-UHFFFAOYSA-N	377.411	0.233	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(=CC)CO)C[C@]1(C)[C@H](O)CC[C@H](C=O)[C@@H]21	2356598214	JAMSYNVVOFKKIY-PESZINACSA-N	378.421	0.931	30	1	GCEF	
C=C1C(=O)O[C@@H]2C[C@@H](CO)[C@@]3(O)C[C@@H](O)[C@@](C)(C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)O3	85722711	SNUZCOSRHAIVKC-UFTMAEGDSA-N	396.436	0.593	30	1	GCEF	in-man
CC(=O)OC[C@]12[C@H](C=C(C)[C@@H](O)[C@H]1O)O[C@H]1[C@@H](OC(C)=O)C[C@]2(C)[C@]12CO2	85849781	JSKXQQKSUOVSKS-JPDDNCELSA-N	382.409	0.096	30	1	GCEF	in-man
C#Cc1cccc(-c2cn([C@@H]3C=C(Br)[C@@H](O)[C@@H](O)[C@@H]3O)nn2)c1	96907895	OYBDAWKUDZSDQI-KLHDSHLOSA-N	376.210	0.843	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H](O)[C@@](C)(O)CC[C@H]3[C@@H](C)C(=O)O[C@H]3[C@@H](O)[C@@](C)(O)CC[C@H]12	2356399751	GHZVTIKGATYJRL-IHLUIQMYSA-N	398.452	0.060	30	1	GCEF	
Cc1ncc(COP(=O)(O)O)c(C/N=C(/C=C/OCCN)C(=O)O)c1O	685933100	OBCQKAZQAHYUOZ-JHAXABGSSA-N	389.301	0.220	30	1	GCEF	in-vivo
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2NC(=S)N(c3ccc(Cl)cc3)[C@H]12	2356450013	FZSIKVMXFMQGQQ-KHMAMNHCSA-N	379.869	0.263	30	1	GCEF	
N/C(=N\C(=O)c1nc(Cl)c(N)nc1N)NCCCCc1ccc(CO)cc1	36176129	UMMUTUNDKHFNFP-UHFFFAOYSA-N	391.863	0.854	30	1	GCEF	
COc1ccc(/C=C/[C@H](CO)N2CCN(c3ncc(C(=O)NO)cn3)CC2)cc1	45349120	PPEIAJKMCSPOIO-WAUBUAMCSA-N	399.451	0.801	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@]21O	1857623060	NFHWFFQENCGSQZ-NHPMXQBPSA-N	376.405	0.801	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](C)(O)[C@]1(O)C=C[C@](C)(O)[C@@H]21	2356453704	INZYZLOQCFZVFR-OPXKYWMESA-N	378.421	0.785	30	1	GCEF	
C=C(C)C(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@@](C)(O)C[C@H]2O)OC1=O	2356628559	XTUQPQRJSZRSDZ-GBRSUSRYSA-N	380.393	0.616	30	1	GCEF	
O=C(CCCCC[C@H](NC(=O)[C@H]1CCC(=O)N1)C(=O)Nc1ccccc1)NO	103232978	QMGDCUHFYVMSBA-LSDHHAIUSA-N	390.440	0.844	30	1	GCEF	
C#CCn1c(=O)c2c(nc3n2CCCN3Cc2ccccc2OC)n(C)c1=O	103251201	JPSHMMIAEATEIY-UHFFFAOYSA-N	379.420	0.949	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@@H]2O[C@H]2[C@@H]2O[C@@H]21)C(=O)OC	169363895	DJQAYXQSWDXHIP-ITLCYYAFSA-N	393.436	0.576	30	1	GCEF	
C=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@]12[C@@H](O)CCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)O[C@H]2OC	238742004	RBQOWGQGMNLZHR-RONDWGQNSA-N	394.464	0.348	30	1	GCEF	
CC1=C[C@@H]2OC(=O)[C@]3(C)O[C@]23[C@H](O)[C@@H]2C(C)=CC[C@H](O)[C@]2(C)[C@H](O)[C@H](O)C1	2356588494	WUKXQWFCPWEFDX-RGKXGSBCSA-N	380.437	0.206	30	1	GCEF	
C=C(C)C(=O)O[C@@H]1C[C@@](C)(O)[C@@]2(O)CC[C@@](C)(C=C3OC(=O)C(CO)=C31)O2	2356646104	PTWUICAPVLZYIG-VUKOWNLVSA-N	380.393	0.616	30	1	GCEF	
C[C@@H]1O[C@@]12C[C@H](C)[C@@](C)(O)C(=O)OCC1=CCN(C)CC[C@@H](OC2=O)C1=O	238751286	CZQLULNMKQAIQL-CWYNLQCDSA-N	381.425	0.221	30	1	GCEF	
C[C@H](Oc1cc(C(=O)N2CCC[C@@H](N)C2)nn1-c1ccc(C#N)cc1)C(N)=O	1772611983	GXWUBLOAKXBSNV-GXTWGEPZSA-N	382.424	0.560	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)CC(=C)[C@@H]1[C@H](O)[C@H](O)[C@]3(CO3)[C@@H]21	2356506916	RWDWCHAZOMBQBT-ZHJQMQMESA-N	376.405	0.659	30	1	GCEF	
N#Cc1ccc(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)cc1C#N	28889071	GFRWMDZJFFMKMI-OALUTQOASA-N	396.520	0.815	30	1	GCEF	
CN(CCNc1nc(N)c(C(=O)N=C(N)N)nc1Cl)Cc1ccccc1	73138239	CITMDADEEKUKLZ-UHFFFAOYSA-N	376.852	0.670	30	1	GCEF	
CC1=CC(=O)[C@H](O)[C@@]2(C)[C@@H]3[C@]4(O)C(=O)OC[C@]35[C@H](C[C@H]12)OC(=O)C[C@@H]5[C@H]4C	169640395	XCAPDGKSNAMUQC-MABHBBSASA-N	376.405	0.374	30	1	GCEF	
O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O)cc3C[C@@H]2C(=O)O)C[C@H](C(=O)O)N1	1531169	XHJKHSXHWJCBLX-DGCLKSJQSA-O	389.340	0.163	30	1	GCEF	endogenous,in-man
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1C(F)(C(F)(F)F)C(F)(F)F	1631655	DNUPNICBYLLDJY-QYNIQEEDSA-N	396.215	0.467	30	1	GCEF	
CC(=O)OC[C@]12CC[C@@]3(C)O[C@H]3[C@@H]1O[C@@H]1C(=O)[C@@H](OC(C)=O)[C@@]2(C)[C@@]12CO2	27647500	YOJOUEVWVFOYQS-NQWKWHCYSA-N	380.393	0.544	30	1	GCEF	
CCC/N=C1/C(=O)C2=C(C(O)=C1C)N1C[C@@H]3N[C@@H]3[C@@]1(OC)[C@@H]2COC(N)=O	169296153	ZXNXZTQDXAZLPO-RBNWFTNLSA-N	376.413	0.230	30	1	GCEF	
C=C[C@@](C)(O)[C@@H](O[C@H]([C@H](O)CC(C)(C)O)[C@](C)(O)C=C)[C@@H](O)CC(C)(C)O	238744832	RZOLATFOMQUCOR-SPBSJPQISA-N	390.517	0.658	30	1	GCEF	
C=C1CC(=O)C=C(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@H]2C[C@H]([C@@]3(C)CO3)[C@H](O)[C@@]1(O)O2	2356655575	HSSPWYAJKLQQPG-LGGGVOAFSA-N	392.404	0.158	30	1	GCEF	
C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(CO)C[C@@H](OC(=O)C(=CC)CO)[C@@H]12	2356714819	KTIMAJCYRZCUKX-KURKYZTESA-N	378.421	0.956	30	1	GCEF	
C[C@H]1CO[C@@H]2C(CN3CCN(C)CC3)=C(F)C=C3C(=O)C(C(=O)O)=CN1[C@@H]32	52996743	QXPZFZNTFIOTEO-SDDDUWNISA-N	377.416	0.407	30	1	GCEF	
CC(=O)N1CCC(c2cc(C)c(C(=O)N=C(N)N)cc2S(C)(=O)=O)CC1	95556600	BHNSDIWJQXPHSQ-UHFFFAOYSA-N	380.470	0.538	30	1	GCEF	
CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C	142439560	DBTOZHJCIOAMKU-UHFFFAOYSA-N	392.463	0.378	30	1	GCEF	
C/C=C/CCCC/C=C/C(=O)N[C@@H](C[C@@]1(O)C(=O)[C@@H]2O[C@@H]2[C@@H]2O[C@@H]21)C(=O)OC	169363894	DJQAYXQSWDXHIP-CARQBBJNSA-N	393.436	0.576	30	1	GCEF	
CC(C)(C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)OCc1ccccc1	28392663	NKTOQQRJQNTQDB-LSDHHAIUSA-N	377.489	0.642	30	1	GCEF	
CNC[C@H]1Oc2cc(C#CCOC)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C	95733000	LUVAADAAXLMVKF-RLFYNMQTSA-N	396.509	0.673	30	1	GCEF	
CS(=O)(=O)NCCNc1nonc1/C(=N\O)Nc1ccc(F)c(C#N)c1	113207519	GHLDPOHYOPWBDC-UHFFFAOYSA-N	383.365	0.289	30	1	GCEF	
N#Cc1cc(Cl)c2[nH]c(C[C@@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)O)nc2c1	587218417	JDGLGQNZVQKORO-NXEZZACHSA-N	393.787	0.392	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@](O)(CO)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@]12C	2356487456	BNJMIJOSRMZLDO-IZUCJSAUSA-N	380.437	0.963	30	1	GCEF	
C=C(C)[C@@H]1C[C@H]2O[C@@](O)(C(C)=CC(=O)C=C(C)C[C@H]3OC(=O)[C@@]24O[C@@H]34)[C@@H]1O	2356654106	NYQXKINSRDCSCG-GFSDCARUSA-N	376.405	0.946	30	1	GCEF	
C=C1C[C@@]23C[C@@]4(O)[C@H]5[C@]6(C)CN4[C@H]4[C@H]2[C@H](OC(C)=O)[C@H]1[C@H](O)[C@H]3[C@@]45CC[C@H]6O	2356782866	KLDNQFXMBMDPMZ-LUKMQXDBSA-N	387.476	0.655	30	1	GCEF	
COc1ccc(OCCCN/C(N)=N\C(=O)c2nc(Cl)c(N)nc2N)cc1	34613939	WDRSYXYEAWZSMJ-UHFFFAOYSA-N	393.835	0.817	30	1	GCEF	
CCC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@@H](O)[C@@H]1O	49802998	MBXWXPUSFDNWKE-MIALQEHNSA-N	393.403	0.407	30	1	GCEF	
C=C[C@@]1(C)C[C@H](O)[C@@]2(O)[C@H](O1)[C@H](OC(C)=O)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C	40718573	RNXXTXZMLODQHB-QOZVUZGTSA-N	398.496	0.922	30	1	GCEF	
CC(C)[C@]12O[C@H]1[C@H](O)[C@@]1(O)[C@@]3(C)CCC4=C(COC4=O)[C@@H]3C[C@@H]3O[C@@]31C2=O	64526671	QNISRUPSBRYGBQ-ZHGGVEMFSA-N	376.405	0.266	30	1	GCEF	
CCOC(=O)[C@H](C)N1CN/C(=N\[N+](=O)[O-])N(Cc2cnc(Cl)s2)C1	103206547	BZOCCIIKPZNRQS-QMMMGPOBSA-N	376.826	0.918	30	1	GCEF	
C=C1[C@@H](O)[C@]23C[C@@]1(O)C[C@@H](O)[C@H]2[C@]12CO[C@@H]4OC[C@](C)(CC[C@@H]1OC3=O)[C@@H]42	103240384	WNCXXTYZZHJBOB-FQCJEYDISA-N	378.421	0.120	30	1	GCEF	
CC1=C[C@@]2(C)[C@]3(O)[C@@H](C=C(CO)C[C@]2(O)C1=O)[C@]1(C)C(C)(C)[C@]1(O)[C@H](O)[C@H]3C	1857652380	OEYCZOXKBRMEKI-ITOGUVPYSA-N	392.492	0.710	30	1	GCEF	
C=C1C[C@]23C[C@@]4(O)[C@H]5[C@]6(C)C[C@H](O)[C@H](OC(C)=O)[C@]57[C@H]2C[C@@H]1C(=O)[C@@H]3[C@H]7N4C6	2356598511	SMKLDHHGRDTUQJ-IZHSVLLESA-N	385.460	0.863	30	1	GCEF	
CC(C)=C1C[C@]2(C)C(=CC1=O)CC[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H]2C	14450239	AVZCSGMWWXMJEA-SKJJXKJUSA-N	396.480	0.843	30	1	GCEF	endogenous,in-man
C=C1C[C@]23C[C@H]1CC[C@@H]2[C@]1(C(=O)O)C[C@@H](O)[C@H](O)[C@@](C)(C(=O)O)[C@H]1[C@H]3C(=O)O	100778373	FQTLNSKVFLETSS-FXBWMULLSA-N	394.420	0.967	30	1	GCEF	endogenous,in-man
C=C(CO)C(=O)O[C@H]1C[C@]23O[C@@H]2CC/C(=C/[C@H]2OC(=O)C(=C)[C@H]12)CO[C@H]3O	238775357	VPZCNCFYAPSUAL-PNPCVVPCSA-N	378.377	0.141	30	1	GCEF	
CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSC)[C@@H](O)[C@H]3O)c2n1	13472024	DZVQSQRNHKKZLJ-IWCJZZDYSA-N	377.470	0.932	30	1	GCEF	
Nc1nc(Cl)c(C#Cc2ccccn2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1	73224180	AXTCABUSPAWAOB-JXJLXUTGSA-N	375.816	0.022	30	1	GCEF	
Cn1c(=O)c2c(nc3n2CCN(CC#Cc2cccc(Cl)c2)C3)n(C)c1=O	1857563749	IQFMIXXYUGSEJM-UHFFFAOYSA-N	383.839	0.954	30	1	GCEF	
C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ncc(C#CCN(C)C)cc2C1=O	95712351	ZAUQWYYYMXHWKM-GJYPPUQNSA-N	388.512	0.776	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@@]1(CO1)[C@@H]1[C@@H](O)C=C(C)[C@@]21O	17419106	ADBOAFOIAMBXJT-ZMQOWSQJSA-N	376.405	0.803	30	1	GCEF	
COc1ccc(CCS(=O)(=O)N2Cc3nccnc3C[C@@H]2C(=O)NO)cc1	13472423	GJPNOBOKHXRKMD-MRXNPFEDSA-N	392.437	0.290	30	1	GCEF	
COc1ccc([C@H]2[C@@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1OC	103131030	YJWAFVAWZVQNAA-KCJUWKMLSA-N	395.422	0.389	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]3C(=C(C)C[C@@H](OC(=O)/C(C)=C\C)[C@@H]12)[C@@H](O)[C@H](O)[C@@]3(C)O	523041421	BBZPFHHMPSIYMT-XJQLIYFYSA-N	378.421	0.785	30	1	GCEF	biogenic
C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@@]1(C)[C@@H](O)C[C@@H](OC(=O)C(C)=CC)[C@H]1[C@@H](C)[C@H]2O	2356454454	MPPUQBHRJQOHGA-MAMBXLGYSA-N	380.437	0.721	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](O)[C@H]3[C@@]3(CO3)C[C@@H](OC(=O)C(C)=CCO)[C@H]12	2356485274	ZMEFVYTUBDLSJT-SGPSVCNZSA-N	376.405	0.661	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2O[C@@H]2[C@](O)(CO)[C@@H]2[C@@H]3OC(=O)[C@H](C)[C@@H]3CC[C@@]12C	2356487455	BNJMIJOSRMZLDO-IWXRLDLNSA-N	380.437	0.963	30	1	GCEF	
C=C1C[C@H](O)[C@H](C(=C)C(=O)O)[C@H](OC(=O)[C@@H]2CCCN2)[C@@H]2C(=C)[C@@H](O)C[C@H]12	2356692049	HDPVXRRHYPQQSU-SZUGOBGCSA-N	377.437	0.781	30	1	GCEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@H](CCN2Cc2ccc(OC)cc2)N1C	2356815424	CRAYVYCFUGNJAO-LMNJBCLMSA-N	398.507	0.598	30	1	GCEF	
O=S1(=O)OCCOS(=O)(=O)C1S(=O)(=O)c1ccc2ccccc2c1	95558379	GTMZGJLOVJXIOU-UHFFFAOYSA-N	392.432	0.604	30	1	GCEF	
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26023470	AFXXHYCYAQRFSK-RCCFBDPRSA-N	398.548	0.881	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@](C)(O)[C@H](O)[C@@H]1OC(=O)[C@H](C)[C@@H]1CC[C@](C)(O)[C@@H]2O	2356399753	GHZVTIKGATYJRL-SMZNARSCSA-N	398.452	0.060	30	1	GCEF	
C=C[C@](C)(O)[C@H](O[C@H]([C@H](O)CC(C)(C)O)[C@](C)(O)C=C)[C@H](O)CC(C)(C)O	2356434453	RZOLATFOMQUCOR-DIZUZXFTSA-N	390.517	0.658	30	1	GCEF	
C#CCNC(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2N=C(Nc3ccc(N(C)C)cc3)S[C@@H]12	2356839349	LTNKVOKNMUIXQK-ALYAQQCSSA-N	388.493	0.496	30	1	GCEF	
C=CCN(CC=C)S(=O)(=O)c1ccc(-n2ncc(=O)[nH]c2=O)cc1Cl	26022756	UATXQFJELVDUDN-UHFFFAOYSA-N	382.829	0.937	30	1	GCEF	
COC1(OC)C[C@@H](C)[C@@]23O[C@@]24C2=CC(=O)C=CC2=N[C@H]3C#C/C=C\C#C[C@@]14O	299857618	OAGMOQFBOHDCHJ-VQHDARIZSA-N	377.396	0.719	30	1	GCEF	
C=C1C(=O)O[C@H]2/C=C(/C)[C@H](O)C/C=C(\C)C[C@@H](OC(=O)/C(=C/CO)CO)[C@@H]12	238782827	HUSWYTADELXPIC-UQKKNPBFSA-N	378.421	0.954	30	1	GCEF	biogenic
CC1=CC(=O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)C[C@H]3[C@H](C)[C@H](O)C(=O)[C@@H]2[C@]31CO	27751463	BOQRDFOSFFKHHP-BGBKHMMVSA-N	378.421	0.009	30	1	GCEF	
CN(C)c1cc(NC(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)ccn1	43206322	DTWNRDKVLZLZTB-MNOVXSKESA-N	385.402	0.089	30	1	GCEF	
CN(C)c1ccc([C@@H]2[C@@H](C#N)C(=O)N=C3SC(S(N)(=O)=O)=NN32)cc1	103131038	ZJQFYFPTWIOGPR-GHMZBOCLSA-N	378.439	0.438	30	1	GCEF	
COc1cc(C=NO[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)nc(-c2ccccn2)c1	2356324798	LKWAMLIBKNOJKX-MTCAZGHCSA-N	375.381	0.330	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@H](O)[C@H](C)[C@@H]3[C@H](OC(=O)CC(C)C)C[C@H](O)[C@]3(C)[C@H](O)[C@@H]12	2356631789	OKSQNWDMNROCEX-PQJSEEFVSA-N	382.453	0.801	30	1	GCEF	
COC1=CC(=CNNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C=C(OC)C1=O	13120281	QERDFHPUSFJELS-UHFFFAOYSA-N	396.381	0.686	30	3	GCEF	
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CCOC(=O)[C@H]1O[C@]12CC[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@@]1(CCN3C)[C@@H]2O5	100665381	RUQQPVXMOKJQCG-MMTVNYBFSA-N	387.432	0.877	30	1	GCEF	
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C=C1C(=O)O[C@@H]2/C=C(\C)[C@@H](O)CC(=O)[C@@](C)(O)[C@@H](O)[C@@H](OC(=O)/C(C)=C/C)[C@@H]12	238779358	MEMMEVBUUCPXSU-VBRXGIGZSA-N	394.420	0.354	30	1	GCEF	
CC(=O)/C=C(/O)C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C	238784345	RNXIYUPSPXDHNB-MDAWTCKASA-N	386.441	0.339	30	1	GCEF	
CC(=O)NC[C@@H](F)CCNC(=O)CCC(=O)NCCCCCN(O)C(C)=O	2356802918	WNTZEYCYIWINNV-HNNXBMFYSA-N	390.456	0.271	30	1	GCEF	
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CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](C=O)CCCCN	26023478	AFXXHYCYAQRFSK-OKZBNKHCSA-N	398.548	0.881	30	1	GCEF	
Cn1c(=O)c2c(c(C#N)c(N3CCC[C@H](N)C3)n2Cc2ccccc2)n(C)c1=O	82152367	MYVRYELIXRBEEQ-HNNXBMFYSA-N	392.463	0.886	30	1	GCEF	
C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@@H]1O[C@](C)(CCC(=O)[C@]1(C)O)[C@@H]2O	238761370	UTMNEQUXFHWOKE-XBGHFDJGSA-N	394.420	0.595	30	1	GCEF	
C#Cc1cccc(-c2cn([C@H]3C=C(Br)[C@@H](O)[C@@H](O)[C@@H]3O)nn2)c1	96907896	OYBDAWKUDZSDQI-ZJIFWQFVSA-N	376.210	0.843	30	1	GCEF	
CC1=CC[C@@H](O)C(C)(C)[C@H]1/C=C/C(C)=C/[C@H](O)[C@]12O[C@H]1[C@H](O)C(CO)=C[C@@H]2O	202235943	MFBZDUOKEXHQGD-DYYYMCMPSA-N	392.492	0.995	30	1	GCEF	
C=C(C(=O)O[C@@H]1CC(C)=CCCC=C(CO)[C@@H]2OC(=O)C(=C)[C@H]12)[C@@H](O)CO	2356287522	LBCBLDXREDUCHQ-MLHJIOFPSA-N	378.421	0.954	30	1	GCEF	
CC=C(C)C(=O)O[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@@H]2O[C@@H]2[C@H](C)[C@@]1(O)C(=O)C[C@@H](C)O	2356490733	UFACXRAFFYZVIR-ASXYICERSA-N	396.436	0.530	30	1	GCEF	
C=C1C(=O)O[C@@H]2[C@@H]1[C@H](O)C[C@@]1(C)[C@@H]2[C@@]2(CC[C@H]1OC(=O)C(=CC)CO)CO2	2356665437	GYTQOYJFIYKHCR-QKDPBZMOSA-N	378.421	0.885	30	1	GCEF