smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(N[C@@H]1CNC[C@@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168578	CEAGXQKBRTYLPI-XAVMHZPKSA-N	352.344	-1.585	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C#Cc1ccccc1	95591672	RCZVVKDFKKWFRN-OWVAZHOYSA-N	374.349	-2.091	30	1	FAEF	
NC(=O)CC[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	49036337	QUGQGGFRCJWHSZ-RYUDHWBXSA-N	366.443	-1.121	30	1	FAEF	
NC(=O)CC[C@@H](/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	33493926	DGGUFKQLCKUTEB-VQPBACBFSA-N	372.338	-3.686	30	1	FAEF	
COc1ccc(S(=O)(=O)N(C[C@H](O)CO)[C@H](CO)C(=O)NO)cc1	66252708	VDUBALDTEGAJSW-JOYOIKCWSA-N	364.376	-2.095	30	1	FAEF	
CN(C[C@@H]1CN/C(=N/C(N)=O)N=C1O)C(=O)C[C@@H](N)CCCNC(=N)N	66075696	XRZNLGIMCMPJPK-IUCAKERBSA-N	369.430	-1.964	30	1	FAEF	
CCCCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)nc1N	95586911	XUGNOYRJMJNBPH-XYFZXANASA-N	367.402	-1.270	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)NCC[C@H]21	14858726	CYRRHDGXDUVPMO-SWYOTIJFSA-N	357.359	-2.019	30	1	FAEF	in-vitro
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)NCC[C@@H]21	2356585808	CYRRHDGXDUVPMO-HIWBSBHHSA-N	357.359	-2.019	30	1	FAEF	
C=C[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CCOC(=O)[C@H]1CO	2356651318	ISPPLOMGZOFTJR-GBBADZGRSA-N	362.375	-2.223	30	1	FAEF	
CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](S)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O	58650083	BRRDUGSKRZQFMI-ZPYORWKPSA-N	372.392	-3.806	30	1	FAEF	in-vitro
C=C[C@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O	238766099	HEYZWPRKKUGDCR-OWCYAHBGSA-N	374.342	-2.477	30	1	FAEF	
N[C@@H](CCC(=O)N[C@@H](C[S+]1CCCC1)C(=O)NCC(=O)O)C(=O)O	299853214	HTIJTTYZWFCQEZ-UWVGGRQHSA-O	362.428	-1.724	30	1	FAEF	
O=C[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](O)CO	2356313285	VOOMBBMCNCESRX-SOCMMLMMSA-N	356.280	-5.462	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	2356391093	PQKZBISFNFBDTF-UQJVQZNVSA-N	372.323	-6.194	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCO	36175622	SUAVDNSMMJUXNU-GUBZILKMSA-N	362.231	-2.362	30	1	FAEF	
CC/C(O)=N/C1=NC(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1	66080597	BJIIZVXMFHRAGM-UWVGGRQHSA-N	368.442	-1.354	30	1	FAEF	
O=C1CC[C@@H](CC#CC#CC#CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1	211216681	VMCXWPVTNUXXMZ-IYTWNDGFSA-N	364.350	-2.091	30	1	FAEF	biogenic
Cc1ccc(C#Cc2c(C(N)=O)nnn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	72175606	MZHPKPQLHZLQFY-DNNBLBMLSA-N	358.354	-1.303	30	1	FAEF	
CC=CC#CC#CC#CC#C[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356684322	NDGAURXEUHTKRL-UDFCFZJOSA-N	360.362	-2.247	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14512601	XCRGUWJZEOHKGC-RTNWTXRISA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
CO[C@H]([C@H](O)COS(C)(=O)=O)[C@H](OC)[C@H](O)COS(C)(=O)=O	72283944	LJBKHHZPVCABCX-ZYUZMQFOSA-N	366.410	-2.309	30	1	FAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14411966	QZRKNNXRNBTODR-YPICWOLFSA-N	360.319	-3.614	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85915184	XCRGUWJZEOHKGC-REAJFIDBSA-N	368.382	-1.292	30	1	FAEF	in-man
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@@H]3CN21	105396084	VWTQUILISBTGND-SOEFQARXSA-N	372.381	-1.387	30	1	FAEF	
CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1C[C@H]1N[C@H]12	49695079	DRCNXQMGFFOXLK-KPHSQFCKSA-N	362.386	-1.048	30	1	FAEF	
C=C[C@H](CO[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCOC(=O)[C@H]1CO	70454413	HSLFYKUNLLJJLI-DDJMUGOQSA-N	360.403	-1.560	30	1	FAEF	biogenic,in-vitro
C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@]1(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356329768	LKIVYIWNTFILRN-PFHISFIGSA-N	366.407	-2.020	30	1	FAEF	
O=C1C2=C3[C@@H]4c5c(c[nH]c51)CCN4[C@H]1[C@H](O)CC(=O)[C@@]3(C[C@H](O)N2)[C@H]1O	2356827873	IQGGBCCGPBHXTJ-JYQOVMRVSA-N	357.366	-1.261	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	26172206	CGLPLISQPBTAKX-YZSYAIDZSA-N	359.247	-1.331	30	1	FAEF	
CN(C(=O)C[C@@H](N)C[C@@H]1CNCCO1)[C@H]1CN=C(/N=C(/N)O)NC1=O	26496945	WFVGCTKAJWAEJX-AEJSXWLSSA-N	355.399	-2.732	30	1	FAEF	
C#CCOCCOCCOCCO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	957818998	IXCVCNLRVJBMIS-ZSAUSMIDSA-N	350.364	-2.514	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95910774	KCAYCKZTNBMWEB-CJJZWMLWSA-N	366.407	-2.368	30	1	FAEF	biogenic,in-vitro
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@@H]1O[C@]1(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356828947	IMWOLLVGLMMYBK-KMWIFWIRSA-N	372.326	-2.352	30	1	FAEF	
O=S(=O)(O)[N+]([O-])=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356560104	OCUANBYODGIKTI-MRCFXUCSSA-N	363.366	-3.387	30	1	FAEF	
C[C@@]1(O)[C@@H]2O[C@@H]2[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356635970	QLPYUGJILSEKQD-WSRNLWLDSA-N	362.331	-3.448	30	1	FAEF	
C=CCCO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2356449129	BNFPVVDVDBOSCD-MJKIJMBESA-N	366.363	-3.158	30	1	FAEF	
C[C@]12O[C@@H]1C[C@@H]1C(C(=O)O)=CO[C@H](C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@H]12	2356780531	YQPLNVQNWFEUMT-CBBMINGOSA-N	372.370	-1.620	30	1	FAEF	
CCN(CCO)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560235	IJFSSGKKDQRZSI-NOOOWODRSA-N	357.411	-1.915	30	1	FAEF	
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCO[C@H]12)c1csc(N)n1	40465347	YFXMGRYOJXJMPQ-KPLGQKMUSA-N	367.343	-1.272	30	1	FAEF	
Cc1c(C#N)c(N)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N	17260862	RKSOEBDZHXLQPS-YFVNTRNASA-N	352.372	-1.176	30	1	FAEF	
C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@@H]21	85645435	VSJGJMKGNMDJCI-CNWRUGASSA-N	358.343	-1.592	30	1	FAEF	biogenic,in-vitro
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1cccs1	6009794	MAGJUPNOVKSNDM-ONBUCKADSA-N	370.387	-2.414	30	1	FAEF	
C=CCO[C@]1(C(=O)O)C[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]([C@H](O)CO)O1	59030856	CACHEDPMDGQDBC-UEWQFTGXSA-N	358.236	-2.049	30	1	FAEF	in-vitro
N#C[C@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	257508197	OXUIYNFEUWRHJJ-BJNKXCLLSA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
C#Cc1nc(N)c2ncn([C@@H]3O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3O)c2n1	5580990	LRSLPIPDJFGDOM-XTUIFYDRSA-N	370.347	-2.771	30	1	FAEF	
O=C[C@@]1(/C=C\O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@@H](CO)C[C@H]1O	238735221	NELMAQVIHPLRNA-HJYIRGPLSA-N	362.375	-2.345	30	1	FAEF	
C=CC/C(=N/OS(=O)(=O)O)SC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	238774622	KFPCYRKYFHTJMN-LCNHQOAISA-N	359.378	-1.772	30	1	FAEF	
CC=CC#CC#CC#CC#C[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356684323	NDGAURXEUHTKRL-WXJALIKYSA-N	360.362	-2.247	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356691845	YTJFEBUQZTULAC-RXGFZWQPSA-N	366.407	-2.368	30	1	FAEF	
O=C(N[C@@H]1CCNC[C@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168675	BFXWSEXOZZPNPH-KYXWUPHJSA-N	366.371	-1.194	30	1	FAEF	
N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)N[C@@H](C(=O)O)C1CC1)C(=O)O	16052189	QDTDEZBVMFHOLY-ATZCPNFKSA-N	361.420	-1.037	30	1	FAEF	in-vitro
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@@H]1O[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356828948	IMWOLLVGLMMYBK-QGZCRZCPSA-N	372.326	-2.352	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@H](C(=O)O)[C@@H](C)O	2356845801	OHSPMPINWYCCAI-HTFHYICOSA-N	362.335	-2.718	30	1	FAEF	
COc1ccc2c(c1)O[C@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	238762928	WTGXAWKVZMQEDA-MDFWMIKMSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	255226017	LHDWRKICQLTVDL-CDHWYHMLSA-N	362.331	-3.590	30	1	FAEF	
O=C[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	2356562178	PNTVHTLNMIMGQX-FFNAGIJPSA-N	356.280	-5.462	30	1	FAEF	
C[C@]12O[C@@H]1C[C@@H]1C(C(=O)O)=CO[C@H](C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]12	2356780532	YQPLNVQNWFEUMT-KBMWQZSKSA-N	372.370	-1.620	30	1	FAEF	
C=C1[C@H](OC)O[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2C	59586117	OMNBOKMNIVQDNN-IWEBEACQSA-N	372.370	-1.407	30	1	FAEF	biogenic,in-vitro
C=C1[C@H](OC)O[C@]2(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1C(=O)C=C2C	2356391301	OMNBOKMNIVQDNN-PHDWXZSTSA-N	372.370	-1.407	30	1	FAEF	
O=c1[nH]c2ccccc2[nH]c1=N/N=C/[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	1857768938	VCDYJXYAANGOBJ-XRALKAPISA-N	350.331	-2.415	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCCN=C(N)N)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26495735	AOAADTXCWHEXJQ-DTWKUNHWSA-N	369.430	-2.667	30	1	FAEF	
OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](O)[C@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O	70455560	NYCXYIWXBJWWIL-HUTITFKVSA-N	364.347	-3.714	30	1	FAEF	biogenic,in-vitro
CC/C(O)=N/C1=NC(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1	66080595	BJIIZVXMFHRAGM-VHSXEESVSA-N	368.442	-1.354	30	1	FAEF	
O=C1C=C[C@](O)(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C1Cl	2356797967	ORKAMKNAXACFRQ-WZBKEBKWSA-N	350.751	-1.814	30	1	FAEF	
C[S@@+](CCNO)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	13522141	VJHFTTWXKUEKQP-MGXVIFQTSA-N	357.416	-1.745	30	1	FAEF	in-vitro
COC[C@@H](C)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29560466	MKYNRXNWWOPKBP-AZOIZPIDSA-N	357.411	-1.605	30	1	FAEF	
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)O[C@@H](C)C[C@H]21	85645465	CIPFWKARTPWQGT-VTBIWQOMSA-N	372.370	-1.203	30	1	FAEF	biogenic,in-vitro
C[C@]12O[C@H]1[C@@H]1O[C@H]3C[C@]1(O)[C@@H]2[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O3	255208002	DUMLQBJMFXEXLW-XLFHNKRISA-N	362.331	-3.207	30	1	FAEF	
O=C(O[C@H]1CNC[C@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473213507	VRYKBCSBUNKFHW-KZVJFYERSA-N	353.328	-1.158	30	1	FAEF	
C=C[C@@H](O)[C@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299836538	NISIHBIHTDBRMT-OQRGMVDGSA-N	362.378	-1.695	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O	261499253	YBWAUUBLHOFOPK-RNQKUFSRSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
CC(C)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356411665	WGIQZGDVCQDPTG-KUIGQIJESA-N	361.394	-1.692	30	1	FAEF	
C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)c2n1	254077162	LRSLPIPDJFGDOM-JJNLEZRASA-N	370.347	-2.771	30	1	FAEF	
CCC(=O)N1CCN(CC/N=C/c2c(O)n(C)c(=O)n(C)c2=O)CC1	1779559616	HJUVUUJCIMUSRA-GZTJUZNOSA-N	351.407	-1.237	30	1	FAEF	
CC#CC#CC#CC=CCC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356423457	ADJWTXWHZNJJMU-UDFCFZJOSA-N	364.394	-1.470	30	1	FAEF	
Nc1nc(N/N=C/c2ccc[nH]2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1857567881	AOQSILHFKQNLII-YSSHQLGOSA-N	374.361	-1.206	30	1	FAEF	
O=C1C=C[C@](O)(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C1Cl	2356797966	ORKAMKNAXACFRQ-QUGYJXMDSA-N	350.751	-1.814	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCO	28771381	SUAVDNSMMJUXNU-AEJSXWLSSA-N	362.231	-2.362	30	1	FAEF	
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@H]3CN21	195146188	VWTQUILISBTGND-ORRLFDBISA-N	372.381	-1.387	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H](N3C)[C@]12OC	102971682	HDNPUSAWWBZZNX-WQIRBUGWSA-N	362.386	-1.048	30	1	FAEF	
O=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	238783793	PNTVHTLNMIMGQX-QJLCHDJCSA-N	356.280	-5.462	30	1	FAEF	
CC#CC#CC#CC=CCC[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356423456	ADJWTXWHZNJJMU-QKDSSNGWSA-N	364.394	-1.470	30	1	FAEF	
C=C[C@@](C)(O)CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238779739	DAGSQWZZMKIIOU-NBGILSABSA-N	350.408	-1.340	30	1	FAEF	
C=C[C@H](O)C/C(=N/OS(=O)(=O)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95911977	RMFFGNRBBWMHJH-ZLKQMKLXSA-N	373.336	-3.127	30	1	FAEF	biogenic,in-vitro
C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356677029	DAGSQWZZMKIIOU-FILLVXNXSA-N	350.408	-1.340	30	1	FAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	28525272	LYKKQDPBYOGRJQ-CXFFXRLESA-N	373.274	-1.347	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257711357	YTJFEBUQZTULAC-UQAQGZBZSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
C=C[C@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	85645415	MSEZCSKUABFUMV-MZCQRRDISA-N	372.370	-1.202	30	1	FAEF	biogenic,in-vitro
N#CCO[C@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	2356474812	DTCRMEYZHLXATC-HJPYRHJCSA-N	371.298	-1.692	30	1	FAEF	
CN1C[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)C(O)=N/C1=N\C(N)=O	36465165	BGBUHGLMONTEDD-IUCAKERBSA-N	369.430	-1.869	30	1	FAEF	
N[C@@H](CCC(=O)N[C@H](CSCCC=O)C(=O)NCC(=O)O)C(=O)O	201429735	RDNSBKKJIQKSJT-DTWKUNHWSA-N	363.392	-1.814	30	1	FAEF	
NC(=O)CC[C@H](/N=C(/N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	49014210	DGGUFKQLCKUTEB-SOHHTZENSA-N	372.338	-3.686	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	12495639	YBWAUUBLHOFOPK-PYNVVBIPSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-man
COC1=C(N)C[C@](O)(COS(=O)(=O)O)CC1=N[C@@H](C(=O)O)[C@H](C)O	2356842284	MMOGULPLUDJMKA-PNLAZUSQSA-N	368.364	-1.578	30	1	FAEF	
CC#CC#CC#CC#CCC[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356385387	LIVZHGSTYIVZNV-WXJALIKYSA-N	362.378	-2.023	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238753947	XCRGUWJZEOHKGC-IYTWNDGFSA-N	368.382	-1.292	30	1	FAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O	255226026	LHDWRKICQLTVDL-YJKANBCISA-N	362.331	-3.590	30	1	FAEF	
C=C[C@H](O)[C@@H](C=CC#CC#CC#CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356336471	NISIHBIHTDBRMT-LUMNHQOCSA-N	362.378	-1.695	30	1	FAEF	
C#CCOc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c(=O)n(CC#C)c1=O	1772595727	QQPRLBSDASHYMI-RGCMKSIDSA-N	350.327	-2.079	30	1	FAEF	
OCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)[C@H]1O[C@@H]21	2356561508	GLWQPCVQIMBHJQ-JSUIOEECSA-N	362.331	-3.590	30	1	FAEF	
C=C[C@@H]1[C@@H]2CCNC(=O)C2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356585809	CYRRHDGXDUVPMO-JCSUPSPBSA-N	357.359	-2.019	30	1	FAEF	
C#Cc1nc(N)c2ncn([C@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3O)c2n1	31872119	LRSLPIPDJFGDOM-ZGSSIYKOSA-N	370.347	-2.771	30	1	FAEF	
CC#CC#CC#CC=CCC[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356423459	ADJWTXWHZNJJMU-ZBLLQYKHSA-N	364.394	-1.470	30	1	FAEF	
CC(=O)N[C@@H]1[C@H](O[C@@H](C=O)[C@@H](CO)NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O	2356815743	CUSVKSYUKVCGOL-VTAXGKEESA-N	364.351	-3.989	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1	195476591	KPQYCCFPBRDIQP-IJYPSQCYSA-N	364.358	-2.475	30	1	FAEF	
C=CCSc1nc2c(=O)[nH]c(N)nc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5052830	GUGINDRESZHQCY-POYYFJLXSA-N	355.376	-1.409	30	1	FAEF	
O=C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356466607	NBTUEARNKVTGKY-JDYFUDBSSA-N	356.280	-5.462	30	1	FAEF	
NC(=S)N/N=C/c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	40863611	DBGYDWDJCGBBIX-QCOQDYPWSA-N	357.388	-1.968	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356691843	YTJFEBUQZTULAC-KSSRBEKFSA-N	366.407	-2.368	30	1	FAEF	
N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@H](OS(=O)(=O)O)C1	5554315	OXUIYNFEUWRHJJ-PTPBXQLCSA-N	367.332	-2.787	30	1	FAEF	in-man
COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N2O	13481682	WTGXAWKVZMQEDA-ROJVCUBYSA-N	373.314	-2.048	30	1	FAEF	in-man,metabolite
COc1ccc(/C=C2/N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1	195473377	HRORYMAGQZFQHE-QRTMREFWSA-N	364.358	-1.828	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1cccs1	195515373	MAGJUPNOVKSNDM-UGGJDZKLSA-N	370.387	-2.414	30	1	FAEF	
C=C[C@@H]1C2=CCOC(=CO)C2=CC(=O)[C@@H]1O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	2356729477	JVFPFJLVWUZQBU-WPRIUGQYSA-N	368.338	-1.204	30	1	FAEF	
COC(=O)CCC#CC#C/C=C\CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447616	KMCLOJYUKASTFN-DFYGVYKBSA-N	354.355	-1.681	30	1	FAEF	endogenous,in-man
NC(=O)CC[C@H](/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	33493927	DGGUFKQLCKUTEB-MACXSXHHSA-N	372.338	-3.686	30	1	FAEF	
CN(C(=O)C[C@H](N)CCCNC(=N)N)[C@H]1CN/C(=N/C(N)=O)N=C1O	85601335	ZMWBCGMRXBPXEU-SFYZADRCSA-N	355.403	-2.212	30	1	FAEF	biogenic
C=C1[C@H](O)[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356636338	FDYKNQLJISZPIJ-MBBUZBHMSA-N	362.331	-3.688	30	1	FAEF	
CC1(C)O[C@@H]2[C@H]3OS(=O)(=O)O[C@H]3CO[C@]2(COS(N)(=O)=O)O1	43663790	GGOAQSGCBDRTHT-XZMZPDFPSA-N	361.350	-1.887	30	1	FAEF	
O=C1OCC[C@@H]2C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]1CO1	2356442116	OTGGZHYFDGWERE-NQRMOOEESA-N	374.342	-2.379	30	1	FAEF	
OC[C@H]1O[C@@H](OCC[C@@]23CC[C@H](CO)[C@]2(CO)O3)[C@H](O)[C@H](O)[C@@H]1O	165971514	NPFGZJDRJCOHKS-LGARRYCISA-N	350.364	-2.905	30	1	FAEF	
COCC1=CO[C@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1C(=O)C=C2C	2356576221	RNAOSOMTAGOVSH-NLUHUFIZSA-N	372.370	-1.405	30	1	FAEF	
NC(=O)CC[C@@H](/N=C(/N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	49014215	DGGUFKQLCKUTEB-KQFFWARNSA-N	372.338	-3.686	30	1	FAEF	
C=C[C@@](C)(O)CC[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356588871	KOPYZLMAIKVLRO-SVXAWLJOSA-N	350.408	-1.340	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=N[C@H](CC(=O)O)C(=O)O	2356302856	GQAVPZQZWXLFDJ-UOWDBTKRSA-N	360.319	-1.595	30	1	FAEF	
CCN(CC(=O)N[C@H](C=O)CCCNC(=N)N)C(=O)[C@H]1CCCCN1	3823932	PPCYONVSVGKLTF-QWHCGFSZSA-N	354.455	-1.076	30	1	FAEF	
COc1ccc(/C=N/NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	58633545	GYJJQSIJOBTFIF-VSZQLFBDSA-N	371.415	-1.707	30	1	FAEF	in-vitro
C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)c1ccccn1	299848906	OWZXXMXWRVFMMX-RMROHSAGSA-N	372.447	-1.952	30	1	FAEF	
OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3[C@H](O)[C@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	70451192	NYCXYIWXBJWWIL-CDHWYHMLSA-N	364.347	-3.714	30	1	FAEF	biogenic,in-vitro
CCN(C(=O)C[C@@H](N)CCCNC(=N)N)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66066148	RPJWHEVYSGNVMO-DTWKUNHWSA-N	369.430	-1.821	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccccc1	195476588	KPQYCCFPBRDIQP-RAXBFPOZSA-N	364.358	-2.475	30	1	FAEF	
CCN(C(=O)C[C@@H](N)CCCNC(=N)N)[C@H]1CN/C(=N/C(N)=O)N=C1O	66066149	RPJWHEVYSGNVMO-IUCAKERBSA-N	369.430	-1.821	30	1	FAEF	
N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	257508199	OXUIYNFEUWRHJJ-KJFYADLISA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	263637799	PLYQBXHVYUJNQB-WIAVHCEMSA-N	373.405	-1.381	30	1	FAEF	
CC=CC#CC#CC#CC=C[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356445582	GVEFPLKPRUFLAG-QKDSSNGWSA-N	362.378	-1.694	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	2356391091	PQKZBISFNFBDTF-RNHYLCIYSA-N	372.323	-6.194	30	1	FAEF	
CC(=O)N[C@H](C(=O)N1CCSCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564276	BDSRBHWIGUHRNH-BJDJZHNGSA-N	371.463	-1.181	30	1	FAEF	
NC(N)=NC[C@@H](CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)N=C(N)N	34435334	MJEHEKVGSWGBJB-KOLCDFICSA-N	365.394	-2.190	30	1	FAEF	biogenic
OC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O	58633070	WNEHWOYSDHJXES-QCOQDYPWSA-N	359.379	-1.576	30	1	FAEF	in-vitro
CC=CC#CC#CC#CC#C[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356684321	NDGAURXEUHTKRL-QKDSSNGWSA-N	360.362	-2.247	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@@H]21	2356754557	MSEZCSKUABFUMV-QEMXGQIISA-N	372.370	-1.202	30	1	FAEF	
C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356329766	LKIVYIWNTFILRN-AGPPKIHUSA-N	366.407	-2.020	30	1	FAEF	
O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)N1C[C@H]2CNC[C@@H]2C1	96168605	HAUNXFWIZFSLID-DBIOUOCHSA-N	360.392	-1.333	30	1	FAEF	
C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356329769	LKIVYIWNTFILRN-RMFARYKZSA-N	366.407	-2.020	30	1	FAEF	
C=C[C@@H]1[C@H](CC=O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356471148	PUEUIRDVQIKCCG-JCSUPSPBSA-N	374.342	-1.865	30	1	FAEF	
C=C1CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	36374684	PQLXZSZTCRYPHH-FGHCUFRJSA-N	358.343	-1.290	30	1	FAEF	
COCC1=CO[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2C	59586722	RNAOSOMTAGOVSH-MOYBBJLCSA-N	372.370	-1.405	30	1	FAEF	biogenic,in-vitro
OC[C@H]1O[C@H](O[C@@H]2OCC[C@@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356581874	NYCXYIWXBJWWIL-YWEIVTIBSA-N	364.347	-3.714	30	1	FAEF	
N#C[C@H](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O	169339544	UTOPPJDOOMWYEY-MACXSXHHSA-N	370.262	-1.512	30	1	FAEF	
CCC[C@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	26378005	BFWNZLHVAVJTFL-KCZFELLJSA-N	363.374	-1.468	30	1	FAEF	
CC[C@@H](COC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29562769	GXBYHDNSUOJGPX-QNWJLWSRSA-N	371.438	-1.215	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	257513433	PLYQBXHVYUJNQB-CKFPPMDJSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21	195146200	VWTQUILISBTGND-CHUQCCFNSA-N	372.381	-1.387	30	1	FAEF	
C=C[C@@H](O)[C@H](C=CC#CC#CC#CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356336470	NISIHBIHTDBRMT-LUMDGCDRSA-N	362.378	-1.695	30	1	FAEF	
NCCCNCCCCNC(=O)C(=O)NCCCCCCN=C(N)N	26737451	QTFANWAASHZUKA-UHFFFAOYSA-N	357.503	-1.229	30	1	FAEF	
C[S@@+](CCON)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	58638853	RMAOLICYOBWFLA-ANEUFVJOSA-N	357.416	-1.834	30	1	FAEF	in-vivo
O=C[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)[C@@H](O)CO	238749438	SYZNAVOGLCTGII-IOHJJQROSA-N	356.280	-5.462	30	1	FAEF	
C=C[C@@H]1C2=CCO/C(=C\O)C2=CC(=O)[C@H]1O[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	59585848	JVFPFJLVWUZQBU-VVBKNLFISA-N	368.338	-1.204	30	1	FAEF	biogenic,in-vitro
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@H](O)[C@@H](O)CO	2356305702	YDWJUIXDZSJZHH-LRIIRITNSA-N	367.351	-4.383	30	1	FAEF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(Cl)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C	139237635	LTZPSMSMPVRENL-NEDRXHRUSA-N	368.777	-1.133	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1c[nH]c2ccccc12	6009809	QAZMJYCKHLEVNN-RUUYESAJSA-N	373.369	-1.355	30	1	FAEF	
N[C@H](CCC(=O)N[C@@H](CSCCC=O)C(=O)NCC(=O)O)C(=O)O	201429767	RDNSBKKJIQKSJT-BDAKNGLRSA-N	363.392	-1.814	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	2356744343	XHACZRKXNRWLKD-ASDPXGBXSA-N	366.407	-2.368	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H]([N@]3C)[C@@]12OC	1857624132	HDNPUSAWWBZZNX-JWOKUNRUSA-N	362.386	-1.048	30	1	FAEF	
CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356788029	WFJBUHOMGSOMHL-JTBFQXKRSA-N	361.394	-1.548	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1c[nH]c2ccccc12	6009807	QAZMJYCKHLEVNN-SPFGQELWSA-N	373.369	-1.355	30	1	FAEF	
C=C[C@@](C)(CC[C@@H](O)C(C)(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456404	BWEHDKNACKAKFC-UFGPXHDYSA-N	350.408	-1.340	30	1	FAEF	
OC[C@@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](S)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	27406222	WWQGFVMHCVKSPY-WBBNSVTASA-N	358.365	-4.460	30	1	FAEF	
Cc1c(C#N)c(N)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=S)c1C#N	1647138	RKSOEBDZHXLQPS-VFZGUZRASA-N	352.372	-1.176	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C\c1ccco1	6009790	MGLDYSSXJJJUEU-ONBUCKADSA-N	354.319	-2.882	30	1	FAEF	
Cc1c(C#N)c(N)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c(=S)c1C#N	263606938	RKSOEBDZHXLQPS-UYNYGYNWSA-N	352.372	-1.176	30	1	FAEF	
C[S@+](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H]1CCNC1	42964191	CQNOXFUHRONBBH-AWTIPCJXSA-N	367.455	-1.362	30	1	FAEF	
NC(N)=NOCCOc1ccc2[nH]c(C(=O)NC[C@@H](N)C(=O)O)cc2c1	28368105	RJNNMQBSVSPECY-SNVBAGLBSA-N	364.362	-1.107	30	1	FAEF	
CC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]3O[C@@H]3[C@H](O)[C@@]12O	2356395653	RTVGHDMOWLNNHR-KNAVLHCJSA-N	362.331	-3.448	30	1	FAEF	
COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1	5832221	HRORYMAGQZFQHE-LIJSJDRISA-N	364.358	-1.828	30	1	FAEF	
C=CCN[C@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@@H](CCC(=O)C=[N+]=[N-])C(=O)O	26656956	LYUGICBKRYXVHJ-OLZOCXBDSA-N	364.362	-1.000	30	1	FAEF	
C=CCn1c(=S)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	27183104	SXPYULBAYIGUQD-FCKMSMMTSA-N	355.376	-1.365	30	1	FAEF	
OCO[C@H]1[C@H](OCO)CO[C@@]1(S)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	1857755677	MQESDNPFPPXHDT-AHOMPCLHSA-N	374.364	-3.913	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	2356532368	WTGXAWKVZMQEDA-NJTCAMEISA-N	373.314	-2.048	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238745547	AVPBONMPAMZUKG-HJIDVSFMSA-N	354.355	-1.683	30	1	FAEF	
COc1cc(O)c2c(c1)C(=O)[C@]13O[C@]1(C2=O)[C@H](O)[C@H](O)[C@@](C)(O)[C@@H]3O	2356511794	IGQRNPSFVHAGKN-LFTMDZKFSA-N	352.295	-1.865	30	1	FAEF	
N#C[C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	238743043	OXUIYNFEUWRHJJ-QCMKSTAZSA-N	367.332	-2.787	30	1	FAEF	
C=C[C@H]1[C@@H]2CC(=O)O[C@H]1OC=C2CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356487083	OGVKNDDWHJWQJZ-WZEDMOAXSA-N	358.343	-1.592	30	1	FAEF	
C=C[C@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85843395	AVPBONMPAMZUKG-JCKYSWMGSA-N	354.355	-1.683	30	1	FAEF	in-man
C=C(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356781430	ILUBRPXEPXJTNF-WIAVHCEMSA-N	373.405	-1.381	30	1	FAEF	
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	5601207	DUAGQYUORDTXOR-SWPJZGNWSA-N	356.327	-1.672	30	1	FAEF	biogenic,in-vitro
C=CCn1c(=S)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	27183093	SXPYULBAYIGUQD-POYYFJLXSA-N	355.376	-1.365	30	1	FAEF	
COc1cc(O)c2c(c1)C(=O)[C@]13O[C@]1(C2=O)[C@H](O)[C@H](O)[C@@](C)(O)[C@H]3O	2356511799	IGQRNPSFVHAGKN-VIAGDVCTSA-N	352.295	-1.865	30	1	FAEF	
C=C[C@H](CO[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1CCOC(=O)[C@H]1CO	2356365223	HSLFYKUNLLJJLI-ZGJGHKLESA-N	360.403	-1.560	30	1	FAEF	
C[S@@+](CCON)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	13537723	RMAOLICYOBWFLA-MGXVIFQTSA-N	357.416	-1.834	30	1	FAEF	in-vitro
C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1CO	2356755101	HJUZPESFUIKMSZ-ZHPGDHFHSA-N	359.378	-1.566	30	1	FAEF	
C=C1CS[C@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@@H]1C(=O)O	59067045	BWZHRGCVOALLHA-BXSSEVMYSA-N	357.388	-1.022	30	1	FAEF	in-vitro
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C\c1ccco1	195502710	MGLDYSSXJJJUEU-UGGJDZKLSA-N	354.319	-2.882	30	1	FAEF	
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356466609	NBTUEARNKVTGKY-VQPQPLGVSA-N	356.280	-5.462	30	1	FAEF	
NS(=O)(=O)/N=C(\O)OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O	28525349	RZQLULXVZJYHAJ-HAFWLYHUSA-N	350.309	-2.681	30	1	FAEF	
CN(C[C@H]1CN/C(=N/C(N)=O)N=C1O)C(=O)C[C@@H](N)CCCNC(=N)N	66075698	XRZNLGIMCMPJPK-BDAKNGLRSA-N	369.430	-1.964	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	40164479	YBWAUUBLHOFOPK-DHFKNQKDSA-N	367.351	-4.383	30	1	FAEF	in-man
Cc1cn([C@@H]2O[C@H](CO)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O)c(=O)[nH]c1=O	103018088	LFLRCVNDBZSHNA-UJYYTQATSA-N	361.332	-3.005	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@@H](C(=O)O)[C@@H](C)O	2356845802	OHSPMPINWYCCAI-OXJBNJIPSA-N	362.335	-2.718	30	1	FAEF	
C=CCO[C@]1(C(=O)O)C[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]([C@H](O)CO)O1	64633963	FBVSDSKMAGYSKU-UEWQFTGXSA-N	358.236	-2.049	30	1	FAEF	in-vitro
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	40752723	LYKKQDPBYOGRJQ-WSJJSNSYSA-N	373.274	-1.347	30	1	FAEF	
NC(N)=NCCC[C@@H](C=O)NC(=O)CNC(=O)[C@H](N)CCCN=C(N)N	96903211	GYSNNEVGEUCRFE-VHSXEESVSA-N	371.446	-3.779	30	1	FAEF	
C=CCCO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2356449130	BNFPVVDVDBOSCD-SYGIBXHZSA-N	366.363	-3.158	30	1	FAEF	
C[C@]1(O)[C@H](O)C2=C(C3=C(C(=O)c4c(O)cccc4C3=O)[C@@H]2N[N])[C@@H](O)[C@H]1O	2356838134	LQORSZYPRFSBQO-CRQORTERSA-N	372.333	-1.833	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85915188	XCRGUWJZEOHKGC-YBRGNKINSA-N	368.382	-1.292	30	1	FAEF	in-man
CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	149107879	WFJBUHOMGSOMHL-GLVDENFASA-N	361.394	-1.548	30	1	FAEF	in-vitro
N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	257508196	OXUIYNFEUWRHJJ-AMDVPWGISA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2CO[C@H](OC)C[C@@H]21	2356434932	JUJTUEBXXGRSJB-NBZZGNTPSA-N	374.386	-1.146	30	1	FAEF	
COC1=C(N)C[C@](O)(COS(=O)(=O)O)CC1=N[C@H](C(=O)O)[C@@H](C)O	2356842285	MMOGULPLUDJMKA-PUQNFTFYSA-N	368.364	-1.578	30	1	FAEF	
C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@H]21	33833868	VSJGJMKGNMDJCI-JCHAVLMJSA-N	358.343	-1.592	30	1	FAEF	biogenic,in-vitro
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@@H]3O)[C@@H](O)[C@@H](O)[C@@H]1O	95098781	LHDWRKICQLTVDL-WIMZORIPSA-N	362.331	-3.590	30	1	FAEF	biogenic,in-vitro
O=C(N[C@H]1CNC[C@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220477	CEAGXQKBRTYLPI-KZVJFYERSA-N	352.344	-1.585	30	1	FAEF	
CO/N=C(/C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@H]1C)c1csc(N)n1	29237700	KVDIIKUOIVHIOM-AYWJRFCQSA-N	363.377	-1.406	30	1	FAEF	
O=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2cc(O)ccc2N1O	2356871620	YCPMEKOJGFYFJJ-NCRDQOCNSA-N	359.287	-2.351	30	1	FAEF	
COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1	13537253	SSQXFNKOLMHXPO-IRCOFANPSA-N	362.360	-2.344	30	1	FAEF	
CO[C@@H]1OC[C@H](NC(C)=O)[C@H](OS(C)(=O)=O)[C@@H]1OS(C)(=O)=O	238749783	AKSDTLHSHKUCGD-AATLWQCWSA-N	361.394	-1.817	30	1	FAEF	
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@@H]1O[C@]1(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356828950	IMWOLLVGLMMYBK-YBTOLFILSA-N	372.326	-2.352	30	1	FAEF	
NCC(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O	140413702	VILQXLMSDPJBFR-IUCAKERBSA-N	372.407	-2.989	30	1	FAEF	
CC(=O)N[C@H]([C@H](O)CO)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O	13443799	PMAQVIOETHWHSV-RULNCXCMSA-N	373.366	-3.642	30	1	FAEF	
N=C(N)/N=C(\NCCc1ccccc1)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	26249332	XNMFXUJJCOILFK-RYMFRWLXSA-N	367.406	-2.542	30	1	FAEF	
C=C1[C@@H](OC)O[C@]2(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1C(=O)C=C2C	2356391296	OMNBOKMNIVQDNN-IBKOBIHMSA-N	372.370	-1.407	30	1	FAEF	
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)C=C[C@@H]12	2356517388	IKFVJCMZZBWMML-CLQKFBQISA-N	372.326	-2.413	30	1	FAEF	
O=S(=O)(O)O[C@H]([C@@H](O)CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	38249006	RJAPJYRCCYZVIU-KASSFGFSSA-O	365.402	-4.397	30	1	FAEF	in-vitro
C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@H]21	238779637	VSJGJMKGNMDJCI-QXSMXBPNSA-N	358.343	-1.592	30	1	FAEF	
CN(O)C(=O)CC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	5579161	DWUBDGXLWNVHIF-HTQZYQBOSA-N	362.339	-2.508	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccc(Cl)cc1	195502748	JJZLPLDPEFXQLG-XMWDBYOESA-N	368.777	-1.183	30	1	FAEF	
O=C[C@@]1(C=CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@H](CO)C[C@@H]1O	2356421533	NELMAQVIHPLRNA-MEYOTJAKSA-N	362.375	-2.345	30	1	FAEF	
C=C[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@@H]1CC=O	2356471150	PUEUIRDVQIKCCG-VKZPQBNSSA-N	374.342	-1.865	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356680477	KCAYCKZTNBMWEB-VVRFCBCGSA-N	366.407	-2.368	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)CO)N/C1=C/c1ccc(Cl)cc1	5832235	JJZLPLDPEFXQLG-BVUUKILASA-N	368.777	-1.183	30	1	FAEF	
C=CCCO[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	38318435	BNFPVVDVDBOSCD-NLCRKWOCSA-N	366.363	-3.158	30	1	FAEF	biogenic,in-vitro
CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	13646340	LJHGALIOHLRRQN-DCAQKATOSA-N	358.443	-1.513	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@@H](O)CO	2356519947	SYZNAVOGLCTGII-VJTXAYNASA-N	356.280	-5.462	30	1	FAEF	
C=C[C@@](C)(O)CC[C@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356677030	DAGSQWZZMKIIOU-SVXAWLJOSA-N	350.408	-1.340	30	1	FAEF	
C=C[C@@](C)(O)CC[C@@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356677031	DAGSQWZZMKIIOU-TWWCOLMVSA-N	350.408	-1.340	30	1	FAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2CO[C@@H](OC)C[C@@H]21	2356434933	JUJTUEBXXGRSJB-NESUGFNOSA-N	374.386	-1.146	30	1	FAEF	
C[C@@]12O[C@@H]1[C@H](O)[C@@]1(O)C=CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)[C@@H]21	2356440783	QGRWMBOYPUQYLB-UNZLMTNVSA-N	362.331	-3.448	30	1	FAEF	
C=C[C@](C)(O)CC[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356588870	KOPYZLMAIKVLRO-FILLVXNXSA-N	350.408	-1.340	30	1	FAEF	
OC[C@H]1O[C@H](/N=C2/N[C@@H]3[C@H](O2)[C@@H](O)[C@H](O)[C@]3(O)CO)[C@H](O)[C@@H](O)[C@@H]1O	33902717	NRKVPNOUINUNKY-UXTOMXPUSA-N	366.323	-6.042	30	1	FAEF	
COc1ccc2c(c1)O[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O	4654639	WTGXAWKVZMQEDA-QSYFAPPXSA-N	373.314	-2.048	30	1	FAEF	in-vitro
COC1=CC(=O)N(C)[C@H](O)[C@@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623665	QZRKNNXRNBTODR-OUWNUVAKSA-N	360.319	-3.614	30	1	FAEF	
O=C1C2=C3[C@@H]4c5c(c[nH]c51)CCN4[C@@H]1[C@@H](O)[C@]3(C[C@H](O)N2)C(=O)C[C@H]1O	2356827872	IQGGBCCGPBHXTJ-CFHXJVNWSA-N	357.366	-1.261	30	1	FAEF	
O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@H]1O	14919047	ITENTBHADJNDDH-XCNHOTNOSA-N	352.295	-1.580	30	1	FAEF	endogenous,in-man
O=C1O[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C[C@@H]2O[C@H]12	2356428355	IVFBMNJBVVHWKL-SKAKNGPBSA-N	368.338	-1.379	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCN/C(N)=N\O)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66073828	KKIGZERUBVHNOO-JGVFFNPUSA-N	371.402	-2.401	30	1	FAEF	
OC[C@H]1O[C@@H](O[C@H]2OC=C[C@@H]3[C@@H](O)[C@@H]4O[C@]4(CO)[C@@H]32)[C@H](O)[C@@H](O)[C@@H]1O	255226020	LHDWRKICQLTVDL-FFJAVNEWSA-N	362.331	-3.590	30	1	FAEF	
C=C1[C@@H](O)[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356636341	FDYKNQLJISZPIJ-QBMDBFFKSA-N	362.331	-3.688	30	1	FAEF	
CCC[C@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	12405370	BFWNZLHVAVJTFL-CWPZRQPOSA-N	363.374	-1.468	30	1	FAEF	
C=C1[C@@H](O)[C@@H](CO)O[C@H]1n1cc(I)c(=O)[nH]c1=O	27895581	AWNMJUBKPPDYPR-ZXFLCMHBSA-N	366.111	-1.052	30	1	FAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097522	QZRKNNXRNBTODR-YQALUOGVSA-N	360.319	-3.614	30	1	FAEF	in-vitro
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257618826	XCRGUWJZEOHKGC-WFYAVGKYSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(=O)C=C[C@H]12	2356517389	IKFVJCMZZBWMML-NBNNMIFUSA-N	372.326	-2.413	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	12496616	YBWAUUBLHOFOPK-RRYOHZGASA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
C[C@@]12O[C@H]1[C@@H](O)[C@@]1(O)C=CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)[C@@H]21	2356440781	QGRWMBOYPUQYLB-NOUUARBZSA-N	362.331	-3.448	30	1	FAEF	
NC(N)=NOCCOc1ccc2[nH]c(C(=O)NC[C@H](N)C(=O)O)cc2c1	28368099	RJNNMQBSVSPECY-JTQLQIEISA-N	364.362	-1.107	30	1	FAEF	
Nc1c(/N=C/[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)[nH]c(=O)[nH]c1=O	98208940	XKTZRTIKRCUGRX-ODDLNGBBSA-N	354.212	-3.460	30	1	FAEF	in-vitro
[N-]=[N+]=N[C@H]1CN[C@@H](C(=O)C[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	53243806	FFVKGWXPOSRUAD-IWSPIJDZSA-N	355.359	-1.036	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1CO	2356755099	HJUZPESFUIKMSZ-JTBFQXKRSA-N	359.378	-1.566	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1	195476586	KPQYCCFPBRDIQP-YRIULYEOSA-N	364.358	-2.475	30	1	FAEF	
O=C(O[C@H]1CNC[C@@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168659	VRYKBCSBUNKFHW-XGEHTFHBSA-N	353.328	-1.158	30	1	FAEF	
O=S(=O)(O)[N+]([O-])=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356560102	OCUANBYODGIKTI-ACWCSBLCSA-N	363.366	-3.387	30	1	FAEF	
O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O	13382433	ITENTBHADJNDDH-WMDQJISTSA-N	352.295	-1.580	30	1	FAEF	endogenous,in-man
C[S@+](CCON)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O	71789119	RMAOLICYOBWFLA-SMXHLYCSSA-N	357.416	-1.834	30	1	FAEF	in-vivo
C[C@@]12O[C@H]1C[C@@H]1C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356725973	DYJXNICFFHYULW-YWKBOXICSA-N	374.342	-2.079	30	1	FAEF	
O=C[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO	2356313281	VOOMBBMCNCESRX-GOMJLYNXSA-N	356.280	-5.462	30	1	FAEF	
C=C[C@@H](O)CC(=NOS(=O)(=O)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356475177	RMFFGNRBBWMHJH-NMDIUMDBSA-N	373.336	-3.127	30	1	FAEF	
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@]1(C)[C@]21CO1	238779890	XGCUCFKWVIWWNW-VSCRHVPYSA-N	354.355	-1.296	30	1	FAEF	
C=C1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	2356632711	PQLXZSZTCRYPHH-WLMDEIRLSA-N	358.343	-1.290	30	1	FAEF	
C=C1[C@@H](O)[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356636339	FDYKNQLJISZPIJ-NGWWCKTOSA-N	362.331	-3.688	30	1	FAEF	
C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@]1(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356608253	JMGIKHUMNKXAFQ-NGLTUSCBSA-N	366.407	-2.020	30	1	FAEF	
N#C[C@@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	238776826	OXUIYNFEUWRHJJ-GAVGWKSCSA-N	367.332	-2.787	30	1	FAEF	
N[C@@H](CCC(=O)N[C@H](C[S+]1CCCC1)C(=O)NCC(=O)O)C(=O)O	299853215	HTIJTTYZWFCQEZ-VHSXEESVSA-O	362.428	-1.724	30	1	FAEF	
OC[C@@H]1CC[C@]2(CCO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O[C@]12CO	2356735909	NPFGZJDRJCOHKS-LZTOLWJCSA-N	350.364	-2.905	30	1	FAEF	
C=C[C@@H]1[C@@H]2C[C@H](OC)OCC2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356434934	JUJTUEBXXGRSJB-PZNQCHBBSA-N	374.386	-1.146	30	1	FAEF	
COC(=O)CCC#CC#CC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356556687	KMCLOJYUKASTFN-SOKJMZBUSA-N	354.355	-1.681	30	1	FAEF	
C=C[C@](C)(O)CC[C@@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356677032	DAGSQWZZMKIIOU-UFGPXHDYSA-N	350.408	-1.340	30	1	FAEF	
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@@H]1CC=O	33833672	PUEUIRDVQIKCCG-QJLMPORNSA-N	374.342	-1.865	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356436709	XCRGUWJZEOHKGC-ZACOSQSXSA-N	368.382	-1.292	30	1	FAEF	
C=C(COS(=O)(=O)O)[C@H](C#N)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356610771	XRVSCIZCEJNBIO-QUIJIENNSA-N	355.321	-2.929	30	1	FAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)O[C@H](C)C[C@@H]21	2356389669	CIPFWKARTPWQGT-YRYFPOBDSA-N	372.370	-1.203	30	1	FAEF	
CCC[C@@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	26377999	BFWNZLHVAVJTFL-KUJRLGSTSA-N	363.374	-1.468	30	1	FAEF	
CN(CCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O)C(=N)N	27428749	GBESJHCWKSWGHE-DTWKUNHWSA-N	369.430	-2.505	30	1	FAEF	
C=C1[C@@H](OC)O[C@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1C(=O)C=C2C	2356391298	OMNBOKMNIVQDNN-IVSBIKDCSA-N	372.370	-1.407	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655917	AVPBONMPAMZUKG-KSXIRAJTSA-N	354.355	-1.683	30	1	FAEF	
C=C[C@@H]1[C@@H]2C[C@@H](OC)OCC2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356434931	JUJTUEBXXGRSJB-NAYKBTNGSA-N	374.386	-1.146	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	26172202	CGLPLISQPBTAKX-YKUANDDZSA-N	359.247	-1.331	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257711356	YTJFEBUQZTULAC-OYFCHPHHSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	28525270	LYKKQDPBYOGRJQ-PJFSLGNBSA-N	373.274	-1.347	30	1	FAEF	
O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C[C@H]1[N+](=O)[O-]	103550818	ZYBJIJYGXJSDTC-XZBKPIIZSA-N	355.196	-2.231	30	1	FAEF	in-vitro
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	169360946	LYKKQDPBYOGRJQ-JOLCOIQMSA-N	373.274	-1.347	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	257513435	PLYQBXHVYUJNQB-FSTDJNAUSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CO	2356305701	YDWJUIXDZSJZHH-HPNBKZABSA-N	367.351	-4.383	30	1	FAEF	
CN(C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])[C@@H](CCCCN)C(N)=O	13809546	IBZDYDRXYTXAPL-UWVGGRQHSA-N	360.419	-2.369	30	1	FAEF	
CN(O)C(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	5579150	DWUBDGXLWNVHIF-JGVFFNPUSA-N	362.339	-2.508	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCO	28771384	SUAVDNSMMJUXNU-IVZWLZJFSA-N	362.231	-2.362	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@H](CC(=O)O)C(=O)O	2356302855	GQAVPZQZWXLFDJ-NXSYQRQQSA-N	360.319	-1.595	30	1	FAEF	
O=C(N[C@@H]1CCNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207115706	BFXWSEXOZZPNPH-QEYWKRMJSA-N	366.371	-1.194	30	1	FAEF	
CC#CC#CC#CC#CCC[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356385388	LIVZHGSTYIVZNV-ZBLLQYKHSA-N	362.378	-2.023	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@H](CCC(=O)O)C(=O)O	2356307388	VIQCONDNYYHNRC-ANRSDYALSA-N	374.346	-1.205	30	1	FAEF	
C=C[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCOC(=O)[C@H]1CO	59587070	ISPPLOMGZOFTJR-CVHPTAFNSA-N	362.375	-2.223	30	1	FAEF	biogenic,in-vitro
O=S(=O)(O)ON=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356445858	RFCSADBEYPEEKD-WTZHZCGUSA-N	363.366	-2.965	30	1	FAEF	
Cc1cn([C@@H]2O[C@@H]3CO[C@@]4(O)CS(=O)(=O)O[C@@]34[C@H]2O)c(=O)[nH]c1=O	36423824	CWMQRZQLZUFQFS-LZBSKXEOSA-N	362.316	-3.079	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	169316325	CGLPLISQPBTAKX-NBQBCYHCSA-N	359.247	-1.331	30	1	FAEF	
C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	263637797	PLYQBXHVYUJNQB-OFPNECHXSA-N	373.405	-1.381	30	1	FAEF	
OCO[C@@H]1CO[C@@](S)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OCO	1857755680	MQESDNPFPPXHDT-WFYUATTOSA-N	374.364	-3.913	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCF	36175711	BXJSSUUSVSWCKD-KXUCPTDWSA-N	364.222	-1.385	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	139537002	YTJFEBUQZTULAC-KXPQCWJOSA-N	366.407	-2.368	30	1	FAEF	
O=C(O[C@H]1CNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473213506	VRYKBCSBUNKFHW-JBDRJPRFSA-N	353.328	-1.158	30	1	FAEF	
CC1=CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc(O)c2C1=O	238759644	ZHIKXQNMZOWREM-BLDDREHASA-N	366.322	-1.104	30	1	FAEF	
COCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=CC(=O)[C@@H]12	2356540275	SHQBCWIAMCDHGE-JILIKOQDSA-N	372.370	-1.549	30	1	FAEF	
CCC[C@@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	12405369	BFWNZLHVAVJTFL-VRRMXIQQSA-N	363.374	-1.468	30	1	FAEF	
NC(=O)[C@@H](CCCN/C(N)=N/[N+](=O)[O-])NC(=O)[C@H](N)Cc1ccccc1	13531458	ROOVMLVHYSRGJB-VXGBXAGGSA-N	365.394	-1.597	30	1	FAEF	in-vitro
CN(C(=O)C[C@@H](N)CCC(=O)N=C(N)N)[C@H]1CN/C(=N/C(N)=O)N=C1O	66099236	TXZGIBIXTQYMTR-BQBZGAKWSA-N	369.386	-2.895	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	257513434	PLYQBXHVYUJNQB-FPZWIRDLSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]3O)c2n1	254077161	LRSLPIPDJFGDOM-CEEXSVCUSA-N	370.347	-2.771	30	1	FAEF	
C=C[C@H]1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	5601180	VSJGJMKGNMDJCI-NGHLACGISA-N	358.343	-1.592	30	1	FAEF	biogenic,in-vitro
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C2C(=O)OCC[C@H]21	2356704732	FYSKLDZBRXIWLZ-CIRJHHNZSA-N	356.371	-1.133	30	1	FAEF	
C/C(N)=N/CCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26494677	HLRHTGRTGIWXRE-VHSXEESVSA-N	354.415	-1.953	30	1	FAEF	
O=C1CC[C@@H](CC#CC#CC#CCO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356518583	VMCXWPVTNUXXMZ-CAJIMINQSA-N	364.350	-2.091	30	1	FAEF	
C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O	70455273	HEYZWPRKKUGDCR-PZBLKYPTSA-N	374.342	-2.477	30	1	FAEF	biogenic,in-vitro
CC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3O[C@H]3[C@@H](O)[C@]12O	255263419	RTVGHDMOWLNNHR-QBYLGFETSA-N	362.331	-3.448	30	1	FAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@H]2C(=O)OCC[C@@H]21	2356480588	JFRMEIYEZULHSL-PSDFPDBRSA-N	360.359	-1.859	30	1	FAEF	
C[C@@]12O[C@H]1[C@H]1O[C@H]3C[C@@]1(O)[C@H]2[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O3	2356620083	DUMLQBJMFXEXLW-CQNMIJIOSA-N	362.331	-3.207	30	1	FAEF	
N=C(N)/N=C(\NCCc1ccccc1)N[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	26249340	XNMFXUJJCOILFK-MRTXSQPYSA-N	367.406	-2.542	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCN=C(N)N)[C@H]1CN=C(/N=C(/N)O)NC1=O	26497335	ZMWBCGMRXBPXEU-YUMQZZPRSA-N	355.403	-3.057	30	1	FAEF	biogenic
C=CCn1/c(=N\C#N)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2cc(N)nc(O)c21	100041706	ALTXJTMYTVJIPA-KOLYGUBBSA-N	362.346	-1.695	30	1	FAEF	
N/C(=N\[N+](=O)[O-])NCCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NO	45301052	VRKWHWQMOJOXPS-JTQLQIEISA-N	374.379	-1.285	30	1	FAEF	
C[N@]1[C@H]2CN3C4=C(C(=O)C(N)=C(Cl)C4=O)[C@H](COC(=N)O)[C@@]3(O)[C@H]21	1857569136	ABTVMFFPZFRUNE-DPLQLBHNSA-N	354.750	-1.373	30	1	FAEF	
C[S@@+](CCON)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O	140370937	RMAOLICYOBWFLA-ZTXHCXIGSA-N	357.416	-1.834	30	1	FAEF	in-vivo
COCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=CC(=O)[C@H]12	2356540274	SHQBCWIAMCDHGE-GPPZPITQSA-N	372.370	-1.549	30	1	FAEF	
C[C@]12O[C@H]1[C@@H](O)[C@]1(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	255270919	UBAIOTDKPLIEDD-LXWGUEHUSA-N	362.331	-3.448	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)SC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	2356834900	KFPCYRKYFHTJMN-HFJFPFSUSA-N	359.378	-1.772	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCNC(N)=S)[C@H]1CN=C(/N=C(/N)O)NC1=O	26495707	UOKHANRBJQEDHX-YUMQZZPRSA-N	372.455	-2.497	30	1	FAEF	
C=CCO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC)O1	72106409	VXDCXEVZCVPZPX-FSTWUICMSA-N	363.363	-2.007	30	1	FAEF	
O=C([C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O)N1C[C@H]2CNC[C@@H]2C1	473220500	HAUNXFWIZFSLID-ZNSHCXBVSA-N	360.392	-1.333	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@H](O)C(=O)O	2356441695	BHXRSIHHJCGSEY-JWYWVGEFSA-N	356.280	-5.462	30	1	FAEF	
C[S@@+](CCON)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	263620976	RMAOLICYOBWFLA-JGJUSBHYSA-N	357.416	-1.834	30	1	FAEF	in-vivo
CN(C(=O)C[C@H](N)C[C@@H]1CNCCO1)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26496949	WFVGCTKAJWAEJX-OPRDCNLKSA-N	355.399	-2.732	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O	2356441696	BHXRSIHHJCGSEY-LCBNLNCCSA-N	356.280	-5.462	30	1	FAEF	
COc1ccc(S(=O)(=O)N2C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1	13537250	SSQXFNKOLMHXPO-QCNOEVLYSA-N	362.360	-2.344	30	1	FAEF	
CO/N=C(\C(=O)N[C@H]1CN2CC=C(C(=O)O)N2C1=O)c1csc(N)n1	29223921	VDZUAUPRQZSSKD-XPPFPDEJSA-N	366.359	-1.398	30	1	FAEF	
O=C1NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)C[C@@H]1[N+](=O)[O-]	103550812	ZYBJIJYGXJSDTC-VWDOSNQTSA-N	355.196	-2.231	30	1	FAEF	in-vitro
CCC(CC)C(=O)N1C[C@@H](C(=O)O)[C@H](N=C(N)N)[C@H](O)[C@H]1NC(C)=O	28568304	CYOZSHAWFQDORG-RHYQMDGZSA-N	357.411	-1.569	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	86051652	YTJFEBUQZTULAC-AYECITQQSA-N	366.407	-2.368	30	1	FAEF	in-man
N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CS)C(N)=O	49020091	QDVDIXRXAOOAEZ-BQBZGAKWSA-N	362.412	-2.891	30	1	FAEF	
O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@@H]1[C@H](O)CC(=O)[C@@]3(C[C@@H](O)N2)[C@H]1O	49109799	CUHRPNQIGJRXJO-ZGCPCHQBSA-O	356.358	-1.802	30	1	FAEF	in-vivo
C=C(COS(=O)(=O)O)[C@@H](C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356610772	XRVSCIZCEJNBIO-UUFBCVLASA-N	355.321	-2.929	30	1	FAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C2C(=O)OCC[C@@H]21	2356704733	FYSKLDZBRXIWLZ-IQSFQAGMSA-N	356.371	-1.133	30	1	FAEF	
COC1=C(N)C[C@@](O)(COS(=O)(=O)O)CC1=N[C@H](CO)C(=O)O	2356872508	YZRIYRPFJTZLCJ-KCJUWKMLSA-N	354.337	-1.966	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	86051651	YTJFEBUQZTULAC-CCCRVJQASA-N	366.407	-2.368	30	1	FAEF	in-man
C/C=C/C#CC#CC#C/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238756090	GVEFPLKPRUFLAG-HVYFARRISA-N	362.378	-1.694	30	1	FAEF	
C[C@@]12O[C@@H]1[C@@H](O)[C@]1(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	255270917	UBAIOTDKPLIEDD-HITHTCKYSA-N	362.331	-3.448	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccc(Cl)cc1	195502744	JJZLPLDPEFXQLG-HUHCRLCXSA-N	368.777	-1.183	30	1	FAEF	
C=C[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)NCC[C@@H]21	2356585811	CYRRHDGXDUVPMO-VKZPQBNSSA-N	357.359	-2.019	30	1	FAEF	
CC(=O)N[C@H](C(=O)N1CCOCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560260	FSYGUMKCUCGVAO-RHYQMDGZSA-N	355.395	-1.897	30	1	FAEF	
CC[C@H](COC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33818943	GXBYHDNSUOJGPX-PPCPHDFISA-N	371.438	-1.215	30	1	FAEF	
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=CCO[C@H]12)c1csc(N)n1	40465294	YFXMGRYOJXJMPQ-LLKWHZGFSA-N	367.343	-1.272	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=N[C@@H](CC(=O)O)C(=O)O	2356302857	GQAVPZQZWXLFDJ-WJWGPLDTSA-N	360.319	-1.595	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O	12496620	YBWAUUBLHOFOPK-BJYBLBRVSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
C=CC/N=C(\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238778485	NKXGDFSULBANNL-NWTZFKDTSA-N	359.378	-2.119	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14592274	YTJFEBUQZTULAC-DJIVWJMOSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
C[C@]12O[C@@H]1C[C@@H]1C(C(=O)O)=CO[C@H](C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H]12	2356780533	YQPLNVQNWFEUMT-LQDRYAPJSA-N	372.370	-1.620	30	1	FAEF	
O=C(CN1C(=O)CC[C@H](NC(=O)c2cc(O)c(O)c(O)c2)C1=O)NO	45289400	VKMSYYVXWGESJB-ZETCQYMHSA-N	353.287	-1.444	30	1	FAEF	
CC(=O)N[C@@H](C(=O)N1CCOCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560261	FSYGUMKCUCGVAO-NOOOWODRSA-N	355.395	-1.897	30	1	FAEF	
C=C[C@@H]1C2=CCOC(=CO)C2=CC(=O)[C@@H]1O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2356729474	JVFPFJLVWUZQBU-CGBWZFRFSA-N	368.338	-1.204	30	1	FAEF	
CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CS)C(N)=O	49110990	QKLCQMKMJCLLEG-UWVGGRQHSA-N	360.484	-1.320	30	1	FAEF	
O=C[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)C(=O)O	2356480826	SYBQLSSECRIKMJ-GBKGVFIISA-N	370.263	-5.370	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)SC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	2356834902	KFPCYRKYFHTJMN-SSEFDENASA-N	359.378	-1.772	30	1	FAEF	
C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456402	BWEHDKNACKAKFC-SVXAWLJOSA-N	350.408	-1.340	30	1	FAEF	
NC(=O)C[C@@H](/N=C(/N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	49110532	PMPYSLWEJHCQBE-AWUUKSCYSA-N	358.311	-4.077	30	1	FAEF	
C=C[C@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447601	AVPBONMPAMZUKG-QQEBABPVSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
O=C1CC[C@H](CC#CC#CC#CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356518582	VMCXWPVTNUXXMZ-BONHGPHZSA-N	364.350	-2.091	30	1	FAEF	
O=C1C2=C3[C@@H]4c5c(c[nH]c51)CCN4[C@@H]1[C@@H](O)[C@]3(C[C@@H](O)N2)C(=O)C[C@H]1O	2356827874	IQGGBCCGPBHXTJ-VJPJIVDDSA-N	357.366	-1.261	30	1	FAEF	
COc1cccc(C=CC(=O)[C@]2(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1OC	2356863360	VFSPQLVRDTTYPO-PTBVWIJOSA-N	370.354	-1.552	30	1	FAEF	
N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	5554307	OXUIYNFEUWRHJJ-RWHZVYADSA-N	367.332	-2.787	30	1	FAEF	in-man
CC(=O)N[C@H](C=O)[C@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@@H](O)[C@H](O)CO	2356305700	YDWJUIXDZSJZHH-BOMLDZBFSA-N	367.351	-4.383	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356436707	XCRGUWJZEOHKGC-CAJIMINQSA-N	368.382	-1.292	30	1	FAEF	
CO/N=C(/C(=O)N[C@@H]1C(=O)N(S(=O)(=O)O)[C@@H]1C)c1csc(N)n1	26570600	KVDIIKUOIVHIOM-SOYLWZHFSA-N	363.377	-1.406	30	1	FAEF	
CCC[C@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	26378001	BFWNZLHVAVJTFL-DLACCZHGSA-N	363.374	-1.468	30	1	FAEF	
O=C(C=CC1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O	2356657500	ITENTBHADJNDDH-DMEJVMROSA-N	352.295	-1.580	30	1	FAEF	
[N-]=[N+]=N[C@@H]1CN[C@H](C(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	27759740	RZVCQXPIUDYYLX-FXQIFTODSA-N	356.347	-2.127	30	1	FAEF	
NC(=O)C[C@H](/N=C(/N)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	49110529	PMPYSLWEJHCQBE-VATWWVEYSA-N	358.311	-4.077	30	1	FAEF	
C[C@]12O[C@@H]1C[C@@H]1C(C(=O)O)=CO[C@H](C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H]12	2356780534	YQPLNVQNWFEUMT-PXUXDRGDSA-N	372.370	-1.620	30	1	FAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	28525269	LYKKQDPBYOGRJQ-RZMIWZGBSA-N	373.274	-1.347	30	1	FAEF	
COc1ccc(S(=O)(=O)N2CCN(C(N)=O)C[C@H]2C(=O)NO)cc1	13804679	KEWGKOQZKWDXBX-NSHDSACASA-N	358.376	-1.046	30	1	FAEF	
CCC(=O)N(O)c1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O	28337027	OCIHBUXSXFCWOR-TUFCRVGPSA-N	353.335	-1.040	30	1	FAEF	
N=C(N)NCCC[C@H](NC(=O)[C@H](CS)NC(=O)CS)C(N)=O	49019829	WWXZFMIFMJFAMJ-BQBZGAKWSA-N	350.470	-2.436	30	1	FAEF	
CC(=O)N[C@H]1[C@H](O[C@@H](C=O)[C@@H](CO)NC(C)=O)O[C@H](CO)[C@H](O)[C@H]1O	2356815740	CUSVKSYUKVCGOL-BFJAEPJVSA-N	364.351	-3.989	30	1	FAEF	
C=C[C@@](C)(CC[C@H](O)C(C)(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456401	BWEHDKNACKAKFC-FILLVXNXSA-N	350.408	-1.340	30	1	FAEF	
C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356608254	JMGIKHUMNKXAFQ-PPWXVPFTSA-N	366.407	-2.020	30	1	FAEF	
C=C[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CCOC(=O)[C@H]1CO	2356651319	ISPPLOMGZOFTJR-GJRNEOKMSA-N	362.375	-2.223	30	1	FAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	299807241	LYKKQDPBYOGRJQ-RHPJLJNCSA-N	373.274	-1.347	30	1	FAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356466608	NBTUEARNKVTGKY-MCAMVMSZSA-N	356.280	-5.462	30	1	FAEF	
C=C[C@@H](O)[C@@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299836541	NISIHBIHTDBRMT-PWWIWTOJSA-N	362.378	-1.695	30	1	FAEF	
O=C[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)CO	2356313280	VOOMBBMCNCESRX-BHXHEWMASA-N	356.280	-5.462	30	1	FAEF	
C#Cc1nc(N)c2ncn([C@H]3O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3O)c2n1	5580988	LRSLPIPDJFGDOM-HLSLMNAFSA-N	370.347	-2.771	30	1	FAEF	
N#C[C@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	100826902	OXUIYNFEUWRHJJ-GVAHOYCQSA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
C/C(N)=N/CCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O	26494681	HLRHTGRTGIWXRE-UWVGGRQHSA-N	354.415	-1.953	30	1	FAEF	
CN(O)C(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	5579140	DWUBDGXLWNVHIF-YUMQZZPRSA-N	362.339	-2.508	30	1	FAEF	
C=CCCO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2356449127	BNFPVVDVDBOSCD-BYLVDFBESA-N	366.363	-3.158	30	1	FAEF	
C=C[C@](C)(O)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O	31159578	KOPYZLMAIKVLRO-YECZKKJWSA-N	350.408	-1.340	30	1	FAEF	
C=C1[C@H](O)C[C@H]2C(C(=O)O)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	85506656	JSKCJJNYSGWZDU-MIRNPHMJSA-N	374.342	-2.319	30	1	FAEF	biogenic,in-vitro
COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)C=C[C@H]12	238745594	IKFVJCMZZBWMML-XJMURKQRSA-N	372.326	-2.413	30	1	FAEF	
C[C@@]1(O)[C@@H](O)[C@H](O)C2=C([C@@H](N[N])C3=C2C(=O)c2cccc(O)c2C3=O)[C@H]1O	2356838136	LQORSZYPRFSBQO-ROJAXVNGSA-N	372.333	-1.833	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCF	36175698	BXJSSUUSVSWCKD-GUBZILKMSA-N	364.222	-1.385	30	1	FAEF	
C=C[C@H]1[C@@H]2C[C@@H](O)OC(=O)C2=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238751676	LCTYGGXMQYUYHL-DONCFWJESA-N	374.342	-2.273	30	1	FAEF	
CN1C(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN=C1/N=C(/N)O	66075038	SWCCWPHGKWZEGS-IUCAKERBSA-N	369.430	-2.505	30	1	FAEF	
C=C[C@H](O)[C@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299836540	NISIHBIHTDBRMT-PINIIDFWSA-N	362.378	-1.695	30	1	FAEF	
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O	100803275	BNWQCKIFSBWSMV-NGSRAFSJSA-N	364.358	-2.025	30	1	FAEF	
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1	13827637	XGCUCFKWVIWWNW-XKYZUCHJSA-N	354.355	-1.296	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCF	27311795	BXJSSUUSVSWCKD-IVZWLZJFSA-N	364.222	-1.385	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCF	36175704	BXJSSUUSVSWCKD-LPEHRKFASA-N	364.222	-1.385	30	1	FAEF	
CN1[C@H]2CN3C4=C(C(=O)C(N)=C(Cl)C4=O)[C@H](COC(N)=O)[C@@]3(O)[C@H]21	43845745	ABTVMFFPZFRUNE-SHCFZDRSSA-N	354.750	-1.787	30	1	FAEF	
C=C1[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]2(O)[C@H](O)[C@@H]1O	238768842	FDYKNQLJISZPIJ-OIEZBVTBSA-N	362.331	-3.688	30	1	FAEF	
C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	263637796	PLYQBXHVYUJNQB-GSLIMFEQSA-N	373.405	-1.381	30	1	FAEF	
O=C(C=CC1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	2356657503	ITENTBHADJNDDH-NCZKRNLISA-N	352.295	-1.580	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCN=C(N)N)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26497331	ZMWBCGMRXBPXEU-JGVFFNPUSA-N	355.403	-3.057	30	1	FAEF	biogenic
C[C@@H]1CC[C@]2(O)[C@H](C=O)CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356653059	ZBPVALREIFKLPB-LAZCRJDBSA-N	362.375	-2.249	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@H]21	2356754555	MSEZCSKUABFUMV-AGUBCYQCSA-N	372.370	-1.202	30	1	FAEF	
O=C(CN1C(=O)CC[C@H](NC(=O)[C@@H]2Cc3ccccc3CN2)C1=O)NO	72120541	OSQWWUNJTUQMJJ-STQMWFEESA-N	360.370	-1.160	30	1	FAEF	
C=C[C@@H]1[C@H](CC=O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238735503	PUEUIRDVQIKCCG-VSZKACNTSA-N	374.342	-1.865	30	1	FAEF	
CC[C@H](COC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560213	GXBYHDNSUOJGPX-BNDIWNMDSA-N	371.438	-1.215	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](O)[C@H](O)CO	2356519945	SYZNAVOGLCTGII-LCBNLNCCSA-N	356.280	-5.462	30	1	FAEF	
CN(C(=O)C[C@@H](N)C[C@@H]1CNCCO1)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26496941	WFVGCTKAJWAEJX-IVZWLZJFSA-N	355.399	-2.732	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257711355	YTJFEBUQZTULAC-LHJKONGQSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
C=C[C@@H]1[C@@H]2C[C@@H](C)OC(=O)C2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356389666	CIPFWKARTPWQGT-CQKIJQGQSA-N	372.370	-1.203	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	13380342	PLYQBXHVYUJNQB-UILZONODSA-N	373.405	-1.381	30	1	FAEF	in-man
O=S(=O)(O)ON=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356445855	RFCSADBEYPEEKD-ACWCSBLCSA-N	363.366	-2.965	30	1	FAEF	
OC[C@H]1O[C@H](OCC[C@]23CC[C@H](CO)[C@]2(CO)O3)[C@@H](O)[C@H](O)[C@H]1O	2356735906	NPFGZJDRJCOHKS-AWLMKMFSSA-N	350.364	-2.905	30	1	FAEF	
N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	100826903	OXUIYNFEUWRHJJ-QFAFCUKJSA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
O=C(O[C@H]1CNC[C@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168657	VRYKBCSBUNKFHW-HXFLIBJXSA-N	353.328	-1.158	30	1	FAEF	
C[C@]12O[C@H]1[C@H](O)C1=C(C2=O)C(NN)=c2c(O)c3c(c(O)c21)=CC=CC3=O	2356824645	GWUJFQDJSFTZOC-BPQIPLTHSA-N	354.318	-1.929	30	1	FAEF	
CC1=CC(=O)[C@@H]2C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2CO	59588633	JJUACHJWALUCMP-UDAXSTDGSA-N	358.343	-2.059	30	1	FAEF	biogenic,in-vitro
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3N[C@H]3[C@]1(OC)[C@@H]2COC(N)=O	195052319	BNWQCKIFSBWSMV-OVJRINDISA-N	364.358	-2.025	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O	261499251	YBWAUUBLHOFOPK-JDJSWNNZSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
O=C1CC[C@@H](CC#CC#CC#CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356518584	VMCXWPVTNUXXMZ-UXCAXZQLSA-N	364.350	-2.091	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	86051653	YTJFEBUQZTULAC-DYODPBKOSA-N	366.407	-2.368	30	1	FAEF	in-man
COCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(C)=CC(=O)[C@H]12	2356540277	SHQBCWIAMCDHGE-VLDXDGFUSA-N	372.370	-1.549	30	1	FAEF	
CC#CC#CC#CC#CCC[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	34886067	LIVZHGSTYIVZNV-WVXCVLBUSA-N	362.378	-2.023	30	1	FAEF	
NCCCC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CS)C(N)=O	49052396	RHCPFOWIWNJJRQ-QWRGUYRKSA-N	356.452	-1.534	30	1	FAEF	
C[S@@+](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H]1CCNC1	42964188	CQNOXFUHRONBBH-QJFIAYIKSA-N	367.455	-1.362	30	1	FAEF	
Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C#Cc1ccccc1	95590589	SEDWJVNNMRGCMY-OWVAZHOYSA-N	373.365	-1.802	30	1	FAEF	
O=C1O[C@@H](c2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2)C[C@H]2O[C@@H]12	238743340	IVFBMNJBVVHWKL-LBDXRYKLSA-N	368.338	-1.379	30	1	FAEF	
C=CCn1c(=S)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	27183087	SXPYULBAYIGUQD-TXRROPDSSA-N	355.376	-1.365	30	1	FAEF	
C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)c1ccccn1	299848904	OWZXXMXWRVFMMX-PYZUCTKSSA-N	372.447	-1.952	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	14916976	PLYQBXHVYUJNQB-OINQDMOTSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
C=C[C@H](CO[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CCOC(=O)[C@H]1CO	2356365220	HSLFYKUNLLJJLI-MUCBWHSKSA-N	360.403	-1.560	30	1	FAEF	
O=c1nc(O)c(C#C[C@H](O)c2ccccc2)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1911582122	GOLLDRRBVOHAOB-ZAPJKBGESA-N	374.349	-1.355	30	1	FAEF	
C[S@@+](CCCN)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	42965227	ZUNBITIXDCPNSD-OYUMTWCVSA-N	355.444	-1.375	30	1	FAEF	
C#Cc1nn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2ncnc(N)c12	98208635	HCACDNLXBUUHEH-WOUKDFQISA-N	371.246	-1.882	30	1	FAEF	in-vitro
C[C@@]12O[C@@H]1[C@@H]1O[C@H]3C[C@@]1(O)[C@H]2[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O3	2356620084	DUMLQBJMFXEXLW-LINHODBQSA-N	362.331	-3.207	30	1	FAEF	
CC(C)[C@H](N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O	139140539	CVUDMNSZAIZFAE-SRVKXCTJSA-N	370.454	-1.416	30	1	FAEF	
CC(C)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356411664	WGIQZGDVCQDPTG-FVAYPZGXSA-N	361.394	-1.692	30	1	FAEF	
CCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO	14880162	REPLXGVUTGZQCG-WTTBNOFXSA-N	365.467	-1.006	30	1	FAEF	in-vivo
O=C([C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O)N1C[C@@H]2CNC[C@@H]2C1	207063350	HAUNXFWIZFSLID-VLEAKVRGSA-N	360.392	-1.333	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356680476	KCAYCKZTNBMWEB-RXGFZWQPSA-N	366.407	-2.368	30	1	FAEF	
O=C1C=C[C@@](O)(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C1Cl	2356797965	ORKAMKNAXACFRQ-QTJJRWQNSA-N	350.751	-1.814	30	1	FAEF	
C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]3O)c2n1	31872117	LRSLPIPDJFGDOM-RULCWPDDSA-N	370.347	-2.771	30	1	FAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	255226025	LHDWRKICQLTVDL-TXUNDRDYSA-N	362.331	-3.590	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](O)CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	12495644	YBWAUUBLHOFOPK-BNFWEHQSSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-man
CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38792120	WFJBUHOMGSOMHL-PTGZALFTSA-N	361.394	-1.548	30	1	FAEF	in-vitro
C=CCSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	27109906	GUGINDRESZHQCY-IOSLPCCCSA-N	355.376	-1.409	30	1	FAEF	
C=CC=C[C@@H](O)[C@@H](C#CC#CC=CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356415253	FQHXNHVIGAESNB-NMTFTXLRSA-N	364.394	-1.143	30	1	FAEF	
C[S@@+](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1CCNC1	299844526	CQNOXFUHRONBBH-HGBRMRJHSA-N	367.455	-1.362	30	1	FAEF	
O=C1OCC[C@H]2C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@H]1CO1	2356442114	OTGGZHYFDGWERE-AYAXAVKBSA-N	374.342	-2.379	30	1	FAEF	
[N-]=[N+]=N[C@H]1CN[C@@H](C(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	27759763	RZVCQXPIUDYYLX-GJMOJQLCSA-N	356.347	-2.127	30	1	FAEF	
C[C@]1(O)[C@H](O)C2=C(c3c(O)c4c(c(O)c3=C2NN)C(=O)C=CC=4)[C@H](O)[C@H]1O	2356822166	FSUCNDSYVBNCFN-MLHJIOFPSA-N	374.349	-3.183	30	1	FAEF	
C=C[C@@H](O)CC(=NOS(=O)(=O)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356475175	RMFFGNRBBWMHJH-LTRKVFTHSA-N	373.336	-3.127	30	1	FAEF	
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21	101384430	VWTQUILISBTGND-GGOTUNQTSA-N	372.381	-1.387	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1ccco1	195502711	MGLDYSSXJJJUEU-FPGULLRCSA-N	354.319	-2.882	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1CO	2356755098	HJUZPESFUIKMSZ-BPKNUMDDSA-N	359.378	-1.566	30	1	FAEF	
CN(C(=O)C[C@H](CCCCN)NC=O)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66157301	CESXZEKHSUANEE-VHSXEESVSA-N	355.399	-1.559	30	1	FAEF	
CO/N=C(/C(=O)N[C@H]1CN(c2c(O)c(=O)c2=O)C1=O)c1csc(N)n1	29328839	FMQAKILGMOKSSP-FBTZIZIRSA-N	365.327	-2.091	30	1	FAEF	
COc1ccc(S(=O)(=O)N2CCN(C(N)=O)C[C@@H]2C(=O)NO)cc1	13804676	KEWGKOQZKWDXBX-LLVKDONJSA-N	358.376	-1.046	30	1	FAEF	
COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1	195473374	HRORYMAGQZFQHE-MUOKKSMJSA-N	364.358	-1.828	30	1	FAEF	
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(=O)C=C[C@@H]12	2356517391	IKFVJCMZZBWMML-XVQWVEIZSA-N	372.326	-2.413	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H](N3C)[C@@]12OC	299816588	HDNPUSAWWBZZNX-RMTJTYPNSA-N	362.386	-1.048	30	1	FAEF	
C[C@@]1(O)[C@@H]2O[C@H]2[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356635968	QLPYUGJILSEKQD-JGVFRUAJSA-N	362.331	-3.448	30	1	FAEF	
CC(C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097573	WGIQZGDVCQDPTG-WUBUQRIPSA-N	361.394	-1.692	30	1	FAEF	in-vitro
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655919	AVPBONMPAMZUKG-XPNFKZKTSA-N	354.355	-1.683	30	1	FAEF	
NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N=C(N)N)[C@@H](O)[C@@H]1O	14949047	ZBDOVGMSCLQXBM-HKEUSBCWSA-N	364.403	-5.801	30	1	FAEF	
O=C[C@H](O)[C@@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	238731562	PNTVHTLNMIMGQX-VJTXAYNASA-N	356.280	-5.462	30	1	FAEF	
C#Cc1nc(N)c2ncn([C@@H]3O[C@H](COS(N)(=O)=O)[C@H](O)[C@@H]3O)c2n1	254077163	LRSLPIPDJFGDOM-VXCSJDDCSA-N	370.347	-2.771	30	1	FAEF	
Cc1ccc2c(c1)C=C(C(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)C2	299824589	BDSDXZZGIGLZEB-XLKGFZLASA-N	363.366	-1.580	30	1	FAEF	
C=C[C@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85843386	AVPBONMPAMZUKG-BBBIYRPKSA-N	354.355	-1.683	30	1	FAEF	in-man
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85843391	AVPBONMPAMZUKG-HQDWOHNQSA-N	354.355	-1.683	30	1	FAEF	in-man
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	2356532365	WTGXAWKVZMQEDA-GVKWNSGLSA-N	373.314	-2.048	30	1	FAEF	
C#CCn1nnc2cc3c(=O)n([C@H](C)Cn4ncnn4)nnc3cc2c1=O	59185765	MJEXZDBOEVXZJZ-SECBINFHSA-N	364.329	-1.223	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257381402	AVPBONMPAMZUKG-WNCKCILZSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
C=C(C)C#C[C@@]1(O)[C@@H](O)[C@@H]2OC(C)(C)[C@@H](OC(C)=O)C[C@@]2(O)[C@@H](O)[C@H]1O	2356721359	BRVXNZDJCWZASW-XPHSZZCNSA-N	370.398	-1.376	30	1	FAEF	
OC[C@H]1O[C@@H](OCC[C@@]23CC[C@H](CO)[C@]2(CO)O3)[C@H](O)[C@@H](O)[C@@H]1O	39160130	NPFGZJDRJCOHKS-OTLHJRDOSA-N	350.364	-2.905	30	1	FAEF	
C[C@@H]1CC[C@]2(O)[C@H](C=O)CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	238751513	ZBPVALREIFKLPB-DRCAGEJOSA-N	362.375	-2.249	30	1	FAEF	
CN(C(=O)C[C@@H](N)c1csc(CN)n1)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26578850	FSALNPODVNMWHH-HTRCEHHLSA-N	368.423	-1.823	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCF	27311780	BXJSSUUSVSWCKD-BBBLOLIVSA-N	364.222	-1.385	30	1	FAEF	
O=S(=O)(O)/[N+]([O-])=C(/CCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238767280	OCUANBYODGIKTI-XLKLPJSCSA-N	363.366	-3.387	30	1	FAEF	
CCCCCCCCC(=O)N(CCO)C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	53683406	REPLXGVUTGZQCG-JHNDHUHGSA-N	365.467	-1.006	30	1	FAEF	in-vivo
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1cccs1	195515372	MAGJUPNOVKSNDM-QVFWQLRDSA-N	370.387	-2.414	30	1	FAEF	
CN(C(=O)C[C@@H](N)c1cc(CN)on1)[C@H]1CN=C(/N=C(/N)O)NC1=O	26578526	ZBXQABKDTACTTG-APPZFPTMSA-N	352.355	-2.291	30	1	FAEF	
O=C(N[C@H]1CCNC[C@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168677	BFXWSEXOZZPNPH-IMSYWVGJSA-N	366.371	-1.194	30	1	FAEF	
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CC[C@@]2(COS(N)(=O)=O)O1	14293524	MIVONOYHFHTRNM-ODXREFDESA-N	359.378	-1.081	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O	40164480	YBWAUUBLHOFOPK-GOAAYDSYSA-N	367.351	-4.383	30	1	FAEF	in-man
C[C@]12O[C@@H]1[C@@H](O)C1=C(C2=O)C(NN)=c2c(O)c3c(c(O)c21)=CC=CC3=O	2356824646	GWUJFQDJSFTZOC-CGTJXYLNSA-N	354.318	-1.929	30	1	FAEF	
CC[C@@H](COC)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560212	GXBYHDNSUOJGPX-MOLYVOAJSA-N	371.438	-1.215	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	26172194	CGLPLISQPBTAKX-DFPDEOEVSA-N	359.247	-1.331	30	1	FAEF	
NC(N)=NN/C(=C1/N=c2ccc([N+](=O)[O-])cc2=NC1=O)[C@@H](O)c1ccco1	135726384	CQPPIEONOBBQIP-YLSINNKHSA-N	371.313	-1.310	30	1	FAEF	
C[C@]12O[C@H]1[C@@H](O)[C@]1(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	146654624	UBAIOTDKPLIEDD-JQYYBOBSSA-N	362.331	-3.448	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)NCC[C@H]21	14858725	CYRRHDGXDUVPMO-LBSCNUBJSA-N	357.359	-2.019	30	1	FAEF	in-vitro
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@]21CO1	253983069	XGCUCFKWVIWWNW-WHWVDXOJSA-N	354.355	-1.296	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	58587147	CGLPLISQPBTAKX-ZVWACGHGSA-N	359.247	-1.331	30	1	FAEF	
NC(N)=NN/C(=C1/N=c2ccc([N+](=O)[O-])cc2=NC1=O)[C@H](O)c1ccco1	135726427	CQPPIEONOBBQIP-XZHRJIJLSA-N	371.313	-1.310	30	1	FAEF	
C=CCn1/c(=N\C#N)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(N)nc(O)c21	100041708	ALTXJTMYTVJIPA-USFLMAJISA-N	362.346	-1.695	30	1	FAEF	
COCC1=CO[C@]2(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1C(=O)C=C2C	2356576220	RNAOSOMTAGOVSH-KZQCRMBDSA-N	372.370	-1.405	30	1	FAEF	
O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@@](O)(C(=O)O)C[C@@H](O)[C@H]1O	14919045	ITENTBHADJNDDH-BNPWMBDXSA-N	352.295	-1.580	30	1	FAEF	endogenous,in-man
COc1ccc2c(c1)O[C@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	15047356	WTGXAWKVZMQEDA-YYQHBFALSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCN)nc32)[C@H](O)[C@@H]1O	12405630	HVKXOYTYMQXKGY-BQVMBELUSA-N	361.362	-2.526	30	1	FAEF	
C=C1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	36374692	PQLXZSZTCRYPHH-XDQMPBQCSA-N	358.343	-1.290	30	1	FAEF	
OC[C@H]1O[C@@H](OCC[C@]23CC[C@H](CO)[C@@]2(CO)O3)[C@H](O)[C@H](O)[C@@H]1O	238754172	NPFGZJDRJCOHKS-RVJGTVGRSA-N	350.364	-2.905	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356436708	XCRGUWJZEOHKGC-UXCAXZQLSA-N	368.382	-1.292	30	1	FAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@@H]1CC=O	2356471147	PUEUIRDVQIKCCG-HIWBSBHHSA-N	374.342	-1.865	30	1	FAEF	
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(CNS(N)(=O)=O)O1	43450531	GQKDYKBJRUWPQU-JAKMQLQISA-N	360.366	-2.314	30	1	FAEF	
CC(=O)NC1=CC(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1	66075044	VECBUCOJZWLUOR-WDEREUQCSA-N	353.427	-2.056	30	1	FAEF	
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1	169296636	XGCUCFKWVIWWNW-SKAONOQKSA-N	354.355	-1.296	30	1	FAEF	
C=C[C@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257381399	AVPBONMPAMZUKG-DWOGQGFVSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
NC(N)=N/C(=N\CCc1ccccc1)N[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	139300851	XNMFXUJJCOILFK-MEBFFEOJSA-N	367.406	-2.752	30	1	FAEF	
C=C/C=C\[C@H](O)[C@@H](C#CC#C/C=C/C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	198516604	FQHXNHVIGAESNB-PAXJRZKPSA-N	364.394	-1.143	30	1	FAEF	
O=C[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CO	2356313283	VOOMBBMCNCESRX-OWGVAZOESA-N	356.280	-5.462	30	1	FAEF	
C[S@+](CCCN)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	42965229	ZUNBITIXDCPNSD-DFZOMGJXSA-N	355.444	-1.375	30	1	FAEF	
C[C@@]1(O)[C@@H](O)[C@H](O)C2=C(C(NN)=c3c(O)c4c(c(O)c32)=CC=CC4=O)[C@H]1O	2356822164	FSUCNDSYVBNCFN-BDXSIMOUSA-N	374.349	-3.183	30	1	FAEF	
CCN(CCO)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29554663	IJFSSGKKDQRZSI-BJDJZHNGSA-N	357.411	-1.915	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H](O)CO	2356519946	SYZNAVOGLCTGII-UKRNJRDJSA-N	356.280	-5.462	30	1	FAEF	
C=C[C@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655918	AVPBONMPAMZUKG-UMKNANMMSA-N	354.355	-1.683	30	1	FAEF	
C=C1[C@@H](OC)O[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@H]1C(=O)C=C2C	96903260	OMNBOKMNIVQDNN-UJCXJQBKSA-N	372.370	-1.407	30	1	FAEF	
C[C@]12O[C@H]1[C@@H](O)[C@]1(O)C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	255270918	UBAIOTDKPLIEDD-LLVZIZJKSA-N	362.331	-3.448	30	1	FAEF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC4)C3=O)N1C[C@H]1N[C@H]12	49589471	FKJOSOXAGBHNJN-OFOFKHNNSA-N	360.370	-1.294	30	1	FAEF	
CC(=O)CC[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CS)C(N)=O	49089233	ZEHQJCWMVXZAKI-QWRGUYRKSA-N	355.420	-1.294	30	1	FAEF	
N[C@H](C=O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@H](O)CO	2356654188	WNWNYJSOBYTXFA-LFZJWSMDSA-N	355.296	-5.496	30	1	FAEF	
O=C[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)C(=O)O	2356480827	SYBQLSSECRIKMJ-RFQWRNBFSA-N	370.263	-5.370	30	1	FAEF	
C#CCCC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](F)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	205433604	YQKIVRZQGBPFKN-UIBSCBFDSA-N	367.301	-2.553	30	1	FAEF	
CC1=CC(=O)c2c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc(O)c2C1=O	2356672825	ZHIKXQNMZOWREM-LTDQNJCQSA-N	366.322	-1.104	30	1	FAEF	
CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356788030	WFJBUHOMGSOMHL-YXCNIWHNSA-N	361.394	-1.548	30	1	FAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623666	QZRKNNXRNBTODR-RVYWZARFSA-N	360.319	-3.614	30	1	FAEF	
C=CCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	72110282	WEBOGJPSZGHJKS-QTRYOLNXSA-N	350.364	-2.129	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=N[C@H](CCC(=O)O)C(=O)O	2356307390	VIQCONDNYYHNRC-GLEZIHRCSA-N	374.346	-1.205	30	1	FAEF	
C[S@+](CCON)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	13537726	RMAOLICYOBWFLA-VLQWXRLFSA-N	357.416	-1.834	30	1	FAEF	in-vitro
C[C@@]12O[C@H]1[C@@H]1O[C@H]3C[C@@]1(O)[C@H]2[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O3	2356620086	DUMLQBJMFXEXLW-TWZRXRDPSA-N	362.331	-3.207	30	1	FAEF	
C=CCN=C(OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356843354	NKXGDFSULBANNL-DMAGGPPCSA-N	359.378	-2.119	30	1	FAEF	
C=CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O	100803249	MGHHPKFVKPZOCP-CJUKMMNNSA-N	360.370	-1.095	30	1	FAEF	
COCC1=CO[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@@H]2C(C)=CC(=O)[C@H]12	238744586	SHQBCWIAMCDHGE-HDCPZKGDSA-N	372.370	-1.549	30	1	FAEF	
C=CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	263637798	PLYQBXHVYUJNQB-VUVUWQJZSA-N	373.405	-1.381	30	1	FAEF	
O=C1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2cc(O)ccc2N1O	2356871621	YCPMEKOJGFYFJJ-PNQJMIKCSA-N	359.287	-2.351	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14512598	XCRGUWJZEOHKGC-HPPULXENSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@@H]1CC=O	33833673	PUEUIRDVQIKCCG-HMXFAVALSA-N	374.342	-1.865	30	1	FAEF	biogenic,in-vitro
NS(=O)(=O)/N=C(\O)OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O	28525350	RZQLULXVZJYHAJ-BBVRLYRLSA-N	350.309	-2.681	30	1	FAEF	
C/C=C/C#CC#CC#CC#C[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238779685	NDGAURXEUHTKRL-MDLWDZJISA-N	360.362	-2.247	30	1	FAEF	
O=C(N[C@H]1CCNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220476	BFXWSEXOZZPNPH-XKNYDFJKSA-N	366.371	-1.194	30	1	FAEF	
CCC[C@H](O)C#Cc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49018378	BFWNZLHVAVJTFL-JSSBQHKPSA-N	363.374	-1.468	30	1	FAEF	
C=C[C@H]1[C@@H]2CCNC(=O)C2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356585810	CYRRHDGXDUVPMO-PBOLVYJUSA-N	357.359	-2.019	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1ccco1	195502707	MGLDYSSXJJJUEU-QVFWQLRDSA-N	354.319	-2.882	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14512607	XCRGUWJZEOHKGC-MHMDBQTNSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
CN(C(=O)C[C@H](CCCCN)NC=O)[C@H]1CN/C(=N/C(N)=O)N=C1O	66157303	CESXZEKHSUANEE-UWVGGRQHSA-N	355.399	-1.559	30	1	FAEF	
OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@@H](S)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	27406219	WWQGFVMHCVKSPY-LBGGPIGOSA-N	358.365	-4.460	30	1	FAEF	
O=S(=O)(O)O[C@H]([C@@H](O)CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	38249007	RJAPJYRCCYZVIU-BZCOVLGNSA-O	365.402	-4.397	30	1	FAEF	in-vitro
C=C[C@@H]1[C@@H]2C[C@H](C)OC(=O)C2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356389668	CIPFWKARTPWQGT-QWTODDAPSA-N	372.370	-1.203	30	1	FAEF	
N#C[C@]1(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	100826901	OXUIYNFEUWRHJJ-UBXMCSTQSA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	253635136	CGLPLISQPBTAKX-LSWICGBZSA-N	359.247	-1.331	30	1	FAEF	
OC[C@H]1O[C@H](OCC[C@]23CC[C@H](CO)[C@@]2(CO)O3)[C@@H](O)[C@H](O)[C@H]1O	2356735908	NPFGZJDRJCOHKS-FWZOCJLNSA-N	350.364	-2.905	30	1	FAEF	
C=C[C@@H](O)C/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	535361018	LHAVWGNSJBYOAH-KBHNZSCUSA-N	373.405	-2.342	30	1	FAEF	in-vitro
C[C@]12O[C@@H]1C[C@@H]1C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356725965	DYJXNICFFHYULW-GBSRQBIZSA-N	374.342	-2.079	30	1	FAEF	
[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	27759747	RZVCQXPIUDYYLX-BIIVOSGPSA-N	356.347	-2.127	30	1	FAEF	
CC#CC#CC#CC#CCC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356385386	LIVZHGSTYIVZNV-UDFCFZJOSA-N	362.378	-2.023	30	1	FAEF	
COCC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)=CC(=O)[C@H]12	95918849	SHQBCWIAMCDHGE-HCBXYKGFSA-N	372.370	-1.549	30	1	FAEF	biogenic,in-vitro
C=CC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238748082	PHZOWSSBXJXFOR-UDYCWXJNSA-N	359.378	-1.772	30	1	FAEF	
OC[C@H]1O[C@H](O[C@@H]2OCC[C@@H]3[C@H](O)[C@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356581873	NYCXYIWXBJWWIL-TZBHZCHASA-N	364.347	-3.714	30	1	FAEF	
COC(=O)CCC#CC#C/C=C\CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85843405	KMCLOJYUKASTFN-MGTGOXIOSA-N	354.355	-1.681	30	1	FAEF	in-man
COC(=O)CCC#CC#C/C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238760940	KMCLOJYUKASTFN-SKMCRQSBSA-N	354.355	-1.681	30	1	FAEF	
O=C1O[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C[C@@H]2O[C@@H]12	2356428354	IVFBMNJBVVHWKL-KSCPSLHPSA-N	368.338	-1.379	30	1	FAEF	
C=C[C@@H]1[C@@H]2CCOC(=O)[C@H]2CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356480589	JFRMEIYEZULHSL-UNGOHSDLSA-N	360.359	-1.859	30	1	FAEF	
COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@H]2C(=O)NO)cc1	13801732	MIWJQVMHJSFHGV-NSHDSACASA-N	364.401	-1.012	30	1	FAEF	
CCC[C@@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	26378003	BFWNZLHVAVJTFL-UDKFHMFTSA-N	363.374	-1.468	30	1	FAEF	
CO[C@@H]1OC[C@H](NC(C)=O)[C@@H](OS(C)(=O)=O)[C@H]1OS(C)(=O)=O	85889933	AKSDTLHSHKUCGD-SGIHWFKDSA-N	361.394	-1.817	30	1	FAEF	biogenic
Cc1c(C#N)c(N)n([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N	263606937	RKSOEBDZHXLQPS-OOTJXSFTSA-N	352.372	-1.176	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCNC(N)=O)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66099116	DKKCKAGPWBNIMY-JGVFFNPUSA-N	356.387	-2.026	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	1531129	WTGXAWKVZMQEDA-HJFKDUGFSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
C[C@@]12O[C@@H]1C[C@@H]1C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356725971	DYJXNICFFHYULW-OWABSSLQSA-N	374.342	-2.079	30	1	FAEF	
Cc1cn([C@@H]2O[C@@H]3COC(=O)[C@]3(OS(C)(=O)=O)[C@H]2O)c(=O)[nH]c1=O	136348073	UJQFIRLFBLCWGR-MCOZSMFQSA-N	362.316	-2.625	30	1	FAEF	
C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@]1(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356329767	LKIVYIWNTFILRN-NUFKGFGVSA-N	366.407	-2.020	30	1	FAEF	
CC1=CC(=O)[C@@H]2C[C@]1(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC=C2CO	2356637181	JJUACHJWALUCMP-FONMDYLGSA-N	358.343	-2.059	30	1	FAEF	
C=C(COS(=O)(=O)O)[C@H](C#N)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238736417	XRVSCIZCEJNBIO-CFNOZWBQSA-N	355.321	-2.929	30	1	FAEF	
C=C[C@](C)(O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356588873	KOPYZLMAIKVLRO-UFGPXHDYSA-N	350.408	-1.340	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1C[C@@H]1CO1	169346943	VIYUNHRGACHVDN-UTINFBMNSA-N	364.247	-1.764	30	1	FAEF	
C=C(C)C#C[C@]1(O)[C@H](O)[C@H](O)[C@]2(O)C[C@H](OC(C)=O)C(C)(C)O[C@@H]2[C@H]1O	2356721357	BRVXNZDJCWZASW-NQQDCESOSA-N	370.398	-1.376	30	1	FAEF	
CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356788028	WFJBUHOMGSOMHL-IOSJIYNYSA-N	361.394	-1.548	30	1	FAEF	
C[S@+](CCNO)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	13522145	VJHFTTWXKUEKQP-VLQWXRLFSA-N	357.416	-1.745	30	1	FAEF	in-vitro
C=C[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CCOC(=O)[C@@H]1CO	59585888	ISPPLOMGZOFTJR-MZHCCHMVSA-N	362.375	-2.223	30	1	FAEF	biogenic,in-vitro
CN(C(=O)C[C@@H](N)CCCN/C(N)=N\O)[C@H]1CN/C(=N/C(N)=O)N=C1O	66073829	KKIGZERUBVHNOO-YUMQZZPRSA-N	371.402	-2.401	30	1	FAEF	
C=C(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356781429	ILUBRPXEPXJTNF-VUVUWQJZSA-N	373.405	-1.381	30	1	FAEF	
O=S(=O)(O)[N+]([O-])=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356560106	OCUANBYODGIKTI-RZUPFTPKSA-N	363.366	-3.387	30	1	FAEF	
C=C(C)C#C[C@]1(O)[C@H](O)[C@H](O)[C@]2(OC(C)=O)C[C@H](O)C(C)(C)O[C@H]2[C@H]1O	2356717239	LBFSPVGODSZUPR-FVPQQVELSA-N	370.398	-1.376	30	1	FAEF	
Cc1c(C#N)c(N)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=S)c1C#N	17260858	RKSOEBDZHXLQPS-ZZBQETCWSA-N	352.372	-1.176	30	1	FAEF	
C[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc(C(N)=O)c2CC#N)[C@H](O)[C@@H]1O	169324358	RKDOXRYQNRNVHU-UGKPPGOTSA-N	360.263	-1.501	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CC#Cc1ccccn1	84712566	GZHRKEISNGNMGQ-ARFHVFGLSA-N	353.334	-1.025	30	1	FAEF	
C=C(COS(=O)(=O)O)[C@H](C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356610769	XRVSCIZCEJNBIO-GSVPJAPCSA-N	355.321	-2.929	30	1	FAEF	
C=C[C@H]1[C@@H]2CC(=O)O[C@H]1OC=C2CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356487081	OGVKNDDWHJWQJZ-JVJCTXBYSA-N	358.343	-1.592	30	1	FAEF	
C=C[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C2C(=O)OCC[C@@H]21	2356704734	FYSKLDZBRXIWLZ-VBMJQWBHSA-N	356.371	-1.133	30	1	FAEF	
C[C@@]12O[C@@H]1[C@@H](O)[C@@]1(O)C=CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)[C@@H]21	2356440782	QGRWMBOYPUQYLB-PTAHNERWSA-N	362.331	-3.448	30	1	FAEF	
OCC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]3O[C@H]3[C@@H](O)[C@@H]12	255212487	GLWQPCVQIMBHJQ-RKRIMTJGSA-N	362.331	-3.590	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)NCC[C@H]21	14858727	CYRRHDGXDUVPMO-FLTDRZDXSA-N	357.359	-2.019	30	1	FAEF	in-vitro
O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)N1C[C@@H]2CNC[C@@H]2C1	96168604	HAUNXFWIZFSLID-YTWAJWBKSA-N	360.392	-1.333	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85915177	XCRGUWJZEOHKGC-OPICCCTDSA-N	368.382	-1.292	30	1	FAEF	in-man
Cc1cn([C@@H]2O[C@@H]3CO[C@]4(O)CS(=O)(=O)O[C@@]34[C@H]2O)c(=O)[nH]c1=O	34081298	CWMQRZQLZUFQFS-GUXRFIFZSA-N	362.316	-3.079	30	1	FAEF	
CC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]3O[C@H]3[C@@H](O)[C@@]12O	2356395655	RTVGHDMOWLNNHR-VLJMISMUSA-N	362.331	-3.448	30	1	FAEF	
O=C1C=C[C@@](O)(CCO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C1Cl	2356797964	ORKAMKNAXACFRQ-QQOHENMQSA-N	350.751	-1.814	30	1	FAEF	
C=CCn1c(=O)n([C@@H]2O[C@H](CO)[C@H]3OC(=O)O[C@H]32)c2nc(N)[nH]c(=O)c21	4781523	GFOIRSVALBTEQM-IOSLPCCCSA-N	365.302	-1.552	30	1	FAEF	
OC[C@H]1O[C@H](O[C@@H]2O[C@H]3C[C@H]4[C@@H]5O[C@H]5[C@](O)(CO3)[C@H]24)[C@@H](O)[C@H](O)[C@H]1O	2356606445	PZCGOEDCXJGTFD-DYTOEUFLSA-N	362.331	-3.350	30	1	FAEF	
C=C[C@@H]([C@@H]1CCOC(=O)C1=C)[C@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356614516	XQIQUYZVOKAIMS-JKBAANIMSA-N	360.359	-1.957	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCNC(N)=O)[C@H]1CN/C(=N/C(N)=O)N=C1O	66099119	DKKCKAGPWBNIMY-YUMQZZPRSA-N	356.387	-2.026	30	1	FAEF	
NC(N)=NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O)[C@H](N)[C@@H](O)[C@@H]1O	14949049	GGEOXVKYZRLKAQ-HKEUSBCWSA-N	364.403	-5.801	30	1	FAEF	
C=C[C@](C)(O)CC[C@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238771296	DAGSQWZZMKIIOU-YECZKKJWSA-N	350.408	-1.340	30	1	FAEF	
C=C[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CCOC(=O)[C@@H]1CO	2356651320	ISPPLOMGZOFTJR-URARFLRKSA-N	362.375	-2.223	30	1	FAEF	
O=C[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C(=O)O	96095499	FZIWWMBARQNGJH-YEOGOCOXSA-N	356.280	-5.462	30	1	FAEF	in-vitro
COC(=O)CCC#CC#C/C=C\CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447612	KMCLOJYUKASTFN-FXPAPEPLSA-N	354.355	-1.681	30	1	FAEF	endogenous,in-man
C=C(CC[C@H](O)C(C)(C)O)[C@@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14592272	YTJFEBUQZTULAC-NGOQWVGTSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
O=C(N[C@@H]1CNC[C@H]1O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168576	WKVPWLFTUYHWDY-LURQLKTLSA-N	350.353	-2.562	30	1	FAEF	
O=C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	238762167	PQKZBISFNFBDTF-MNTDFMJOSA-N	372.323	-6.194	30	1	FAEF	
[N-]=[N+]=N[C@@H]1CN[C@H](C(=O)N[C@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	27764864	RZVCQXPIUDYYLX-RNJXMRFFSA-N	356.347	-2.127	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	14916974	PLYQBXHVYUJNQB-QDPQVRCTSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
C=C[C@@](C)(O)CC[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O	31159585	KOPYZLMAIKVLRO-NBGILSABSA-N	350.408	-1.340	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O	261499252	YBWAUUBLHOFOPK-NFOFGOPJSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
N[C@H](CCC(=O)N[C@H](C[S+]1CCCC1)C(=O)NCC(=O)O)C(=O)O	299853213	HTIJTTYZWFCQEZ-NXEZZACHSA-O	362.428	-1.724	30	1	FAEF	
CC(C)C[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	49017745	WQYGFSLSGTWCQM-UWVGGRQHSA-N	360.484	-1.320	30	1	FAEF	
O=c1nc(O)c(C#C[C@@H](O)c2ccccc2)cn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1911582121	GOLLDRRBVOHAOB-DRXUAVOGSA-N	374.349	-1.355	30	1	FAEF	
CC[C@@H](C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	49032715	SWCRSPNNFYWKQY-YWVKMMECSA-N	360.484	-1.320	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	2356754558	MSEZCSKUABFUMV-SRCAFAGISA-N	372.370	-1.202	30	1	FAEF	
C=CCSc1nc2c(=O)[nH]c(N)nc2n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1725915	GUGINDRESZHQCY-FCKMSMMTSA-N	355.376	-1.409	30	1	FAEF	
C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356608252	JMGIKHUMNKXAFQ-MESWBBPLSA-N	366.407	-2.020	30	1	FAEF	
C=C(C)C#C[C@@]1(O)[C@@H](O)[C@@H]2OC(C)(C)[C@@H](O)C[C@@]2(OC(C)=O)[C@@H](O)[C@H]1O	2356717242	LBFSPVGODSZUPR-XPHSZZCNSA-N	370.398	-1.376	30	1	FAEF	
C=CCC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	30160149	PLYQBXHVYUJNQB-IIPHORNXSA-N	373.405	-1.381	30	1	FAEF	biogenic,in-vitro
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	85644480	DUAGQYUORDTXOR-ONRQASEUSA-N	356.327	-1.672	30	1	FAEF	biogenic,in-vitro
C=C[C@H](CO[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1CCOC(=O)[C@@H]1CO	2356365222	HSLFYKUNLLJJLI-STLXHVAGSA-N	360.403	-1.560	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)N2O	4654640	WTGXAWKVZMQEDA-HAJOPNNUSA-N	373.314	-2.048	30	1	FAEF	in-vitro
COC(=O)CCC#CC#C/C=C\CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257465054	KMCLOJYUKASTFN-ADRPMONASA-N	354.355	-1.681	30	1	FAEF	endogenous,in-man
C=C[C@H](CO[C@@H]1C[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1CCOC(=O)[C@@H]1CO	2356365221	HSLFYKUNLLJJLI-RDIDVNDNSA-N	360.403	-1.560	30	1	FAEF	
OC[C@H]1O[C@H](O[C@@H]2O[C@H]3C[C@H]4[C@H]5O[C@H]5[C@](O)(CO3)[C@H]24)[C@@H](O)[C@H](O)[C@H]1O	2356606444	PZCGOEDCXJGTFD-BKSBIVDLSA-N	362.331	-3.350	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447602	AVPBONMPAMZUKG-PUVXDUKWSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@]21CO1	101268994	XGCUCFKWVIWWNW-TZEZNJOISA-N	354.355	-1.296	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356691844	YTJFEBUQZTULAC-RLWKQIJDSA-N	366.407	-2.368	30	1	FAEF	
C/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26496580	XCDIOWVOEBEDBL-DTWKUNHWSA-N	369.430	-2.796	30	1	FAEF	
C=C(C)C#C[C@]1(O)[C@H](O)[C@H](O)[C@]2(OC(C)=O)C[C@H](O)C(C)(C)O[C@@H]2[C@H]1O	2356717240	LBFSPVGODSZUPR-NQQDCESOSA-N	370.398	-1.376	30	1	FAEF	
N#C[C@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	2356554012	OXUIYNFEUWRHJJ-IGCDUFEOSA-N	367.332	-2.787	30	1	FAEF	
C=C[C@@H]1[C@@H]2CC(=O)O[C@H]1OC=C2CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356487082	OGVKNDDWHJWQJZ-ROCWXNFKSA-N	358.343	-1.592	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	12495633	YBWAUUBLHOFOPK-VEWRSCDISA-N	367.351	-4.383	30	1	FAEF	endogenous,in-man
COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1	13560272	SSQXFNKOLMHXPO-DDHJBXDOSA-N	362.360	-2.344	30	1	FAEF	
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@@]3C)[C@]1(O)[C@H]2COC(=N)O	1857536124	YMGWZHNOYQVRLT-KVIYVKDTSA-N	364.358	-1.923	30	1	FAEF	
CC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]3O[C@H]3[C@H](O)[C@@]12O	2356395656	RTVGHDMOWLNNHR-YICWZESHSA-N	362.331	-3.448	30	1	FAEF	
C=C[C@H](O)CC(=NOS(=O)(=O)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356475176	RMFFGNRBBWMHJH-LUMHZVFVSA-N	373.336	-3.127	30	1	FAEF	
CC#CC#CC#C/C=C/CC[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38495085	ADJWTXWHZNJJMU-XPHSCPBESA-N	364.394	-1.470	30	1	FAEF	
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#CCO)nc32)[C@H](O)[C@@H]1O	12405611	PNWLHMGZWSTPTG-BQVMBELUSA-N	362.346	-2.492	30	1	FAEF	
O=S(=O)(O)ON=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356445856	RFCSADBEYPEEKD-MRCFXUCSSA-N	363.366	-2.965	30	1	FAEF	
C=C1CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	2356632710	PQLXZSZTCRYPHH-FAAXIKKASA-N	358.343	-1.290	30	1	FAEF	
C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@]21O	70454447	HEYZWPRKKUGDCR-VRYOTNCGSA-N	374.342	-2.477	30	1	FAEF	biogenic,in-vitro
OC[C@H]1O[C@H](O[C@@H]2OCC[C@H]3[C@H]2[C@@]2(CO)O[C@@H]2[C@@H]3O)[C@@H](O)[C@H](O)[C@H]1O	2356581872	NYCXYIWXBJWWIL-GHAKCLQISA-N	364.347	-3.714	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)SC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2356834899	KFPCYRKYFHTJMN-GWYYCADCSA-N	359.378	-1.772	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCF	27311790	BXJSSUUSVSWCKD-OPRDCNLKSA-N	364.222	-1.385	30	1	FAEF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(O)=C(CO)C(=N)C3=O)N1C[C@@H]1N[C@@H]12	101229661	XQUXFCJLQFEZJN-WUDYKRTCSA-N	350.331	-1.629	30	1	FAEF	
CC(C)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356411663	WGIQZGDVCQDPTG-CSEVWPSDSA-N	361.394	-1.692	30	1	FAEF	
O=C(N[C@@H]1CNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207126535	CEAGXQKBRTYLPI-MAUMQABQSA-N	352.344	-1.585	30	1	FAEF	
COC(=O)CCC#CC#C/C=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447614	KMCLOJYUKASTFN-ZOHMDLSSSA-N	354.355	-1.681	30	1	FAEF	endogenous,in-man
O=S(=O)(O)O/N=C(/CCO)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95912049	RFCSADBEYPEEKD-XLKLPJSCSA-N	363.366	-2.965	30	1	FAEF	biogenic,in-vitro
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](S)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	27406225	WWQGFVMHCVKSPY-ONPLHCRPSA-N	358.365	-4.460	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	13380340	PLYQBXHVYUJNQB-VNNJMEEBSA-N	373.405	-1.381	30	1	FAEF	in-man
C=C[C@@H]([C@@H](O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CCOC(=O)C1=C	238740751	XQIQUYZVOKAIMS-QCNQRHQPSA-N	360.359	-1.957	30	1	FAEF	
COC1=C(N)C[C@](O)(COS(=O)(=O)O)CC1=N[C@H](C(=O)O)[C@H](C)O	2356842286	MMOGULPLUDJMKA-ZKQGETEISA-N	368.364	-1.578	30	1	FAEF	
CN(O)C(=O)CC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	5579160	DWUBDGXLWNVHIF-SFYZADRCSA-N	362.339	-2.508	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	15047360	WTGXAWKVZMQEDA-XGTBMDPHSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14592275	YTJFEBUQZTULAC-FZRFGMMVSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
N[C@H](C=O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](O)CO	2356654186	WNWNYJSOBYTXFA-GOMJLYNXSA-N	355.296	-5.496	30	1	FAEF	
CC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]3O[C@@H]3[C@@H](O)[C@@]12O	2356395651	RTVGHDMOWLNNHR-BYJZAQBASA-N	362.331	-3.448	30	1	FAEF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N(C)C)C3=O)N1C[C@H]1N[C@H]12	49695077	DRCNXQMGFFOXLK-OFOFKHNNSA-N	362.386	-1.048	30	1	FAEF	
C=C(C)C#C[C@@]1(O)[C@@H](O)[C@H](O)[C@]2(OC(C)=O)C[C@@H](O)C(C)(C)O[C@H]2[C@@H]1O	169351063	LBFSPVGODSZUPR-HNBVCVGOSA-N	370.398	-1.376	30	1	FAEF	
C=CCC/C(=N/OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	59586551	PLYQBXHVYUJNQB-CXSRUOLESA-N	373.405	-1.381	30	1	FAEF	biogenic,in-vitro
C=C[C@@H]1[C@@H]2CC(=O)O[C@H]1OC=C2CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356487084	OGVKNDDWHJWQJZ-ZQEWABHRSA-N	358.343	-1.592	30	1	FAEF	
O=C1C=C(NCCN2CCOCC2)C(=O)C=C1NCCN1CCOCC1	102996807	ZRNYJVSWAZNWRB-UHFFFAOYSA-N	364.446	-1.250	30	1	FAEF	
C[C@]1(O)[C@H](O)C2=C(c3c(O)c4c(c(O)c3=C2NN)C(=O)C=CC=4)[C@@H](O)[C@H]1O	2356822167	FSUCNDSYVBNCFN-TVFCKZIOSA-N	374.349	-3.183	30	1	FAEF	
CC(C)C(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356411666	WGIQZGDVCQDPTG-UTABRTIASA-N	361.394	-1.692	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCF	36175707	BXJSSUUSVSWCKD-UTLUCORTSA-N	364.222	-1.385	30	1	FAEF	
COc1cccc(C=CC(=O)[C@]2(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c1OC	2356863359	VFSPQLVRDTTYPO-DTWJZALFSA-N	370.354	-1.552	30	1	FAEF	
COc1cc(O)c2c(c1)C(=O)[C@]13O[C@]1(C2=O)[C@H](O)[C@H](O)[C@](C)(O)[C@@H]3O	2356511801	IGQRNPSFVHAGKN-VNAATALASA-N	352.295	-1.865	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	13380343	PLYQBXHVYUJNQB-VNONWNCESA-N	373.405	-1.381	30	1	FAEF	in-man
CC[C@H](COC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29562773	GXBYHDNSUOJGPX-NAWOPXAZSA-N	371.438	-1.215	30	1	FAEF	
O=C[C@@]1(C=CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@H](CO)C[C@H]1O	2356421534	NELMAQVIHPLRNA-NEZUXOCLSA-N	362.375	-2.345	30	1	FAEF	
O=C[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)C(=O)O	238769973	SYBQLSSECRIKMJ-BYYFPOTRSA-N	370.263	-5.370	30	1	FAEF	
COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14411963	QZRKNNXRNBTODR-XAZZMKAPSA-N	360.319	-3.614	30	1	FAEF	
CC(=O)N[C@H](C(=O)N1CCOCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29557177	FSYGUMKCUCGVAO-BJDJZHNGSA-N	355.395	-1.897	30	1	FAEF	
C=CC=C[C@H](O)[C@@H](C#CC#CC=CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356415252	FQHXNHVIGAESNB-LUMNHQOCSA-N	364.394	-1.143	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	39096090	XHACZRKXNRWLKD-YLYOMACISA-N	366.407	-2.368	30	1	FAEF	
CCCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356788027	WFJBUHOMGSOMHL-INDGLOLGSA-N	361.394	-1.548	30	1	FAEF	
O=CN1C[C@H](NOS(=O)(=O)O)CC[C@H]1C(=O)NO[C@H]1CCNC1	263620995	RTYOMSYVLRQWIH-UTLUCORTSA-N	352.369	-2.291	30	1	FAEF	in-vitro
C=CCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F	27550665	NJASKGBHGQTLQM-ODHVRURNSA-N	359.266	-1.179	30	1	FAEF	
C=C[C@H](O)[C@@H](/C=C/C#CC#CC#CC)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299836543	NISIHBIHTDBRMT-RQBYFLQFSA-N	362.378	-1.695	30	1	FAEF	
O=S(=O)(O)[N+]([O-])=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356560108	OCUANBYODGIKTI-WTZHZCGUSA-N	363.366	-3.387	30	1	FAEF	
CC#CC#CC#C/C=C/CC[C@H](CO)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O	238759822	ADJWTXWHZNJJMU-VLMYFYFFSA-N	364.394	-1.470	30	1	FAEF	
COc1ccc2c(c1)O[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	2356532373	WTGXAWKVZMQEDA-RIMRTXSHSA-N	373.314	-2.048	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356680474	KCAYCKZTNBMWEB-KSSRBEKFSA-N	366.407	-2.368	30	1	FAEF	
N[C@@H](CCC(=O)N[C@@H](CSCCC=O)C(=O)NCC(=O)O)C(=O)O	164230779	RDNSBKKJIQKSJT-IUCAKERBSA-N	363.392	-1.814	30	1	FAEF	
CC#CC#CC#CC#CCC[C@H](CO)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238766340	LIVZHGSTYIVZNV-BPCAWRKVSA-N	362.378	-2.023	30	1	FAEF	
O=C(N[C@H]1CNC[C@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168579	CEAGXQKBRTYLPI-HXFLIBJXSA-N	352.344	-1.585	30	1	FAEF	
C=CC=C[C@@H](O)[C@H](C#CC#CC=CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356415251	FQHXNHVIGAESNB-LUMDGCDRSA-N	364.394	-1.143	30	1	FAEF	
C=C[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CCOC(=O)[C@@H]1CO	2356651317	ISPPLOMGZOFTJR-DGYLCURFSA-N	362.375	-2.223	30	1	FAEF	
C[C@]12O[C@H]1[C@H](O)[C@]1(O)C=CO[C@@H](O[C@@H]3[C@H](CO)O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]12	255260793	QGRWMBOYPUQYLB-OPIMTACLSA-N	362.331	-3.448	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@@]12OC	195510193	HDNPUSAWWBZZNX-VDADRIINSA-N	362.386	-1.048	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@@]21O	206082975	HEYZWPRKKUGDCR-ROPZDIBESA-N	374.342	-2.477	30	1	FAEF	
N#C[C@@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	2356554013	OXUIYNFEUWRHJJ-OJUMWBOWSA-N	367.332	-2.787	30	1	FAEF	
N#CCO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@@H](O)[C@H](O)[C@H]1O	95486309	DTCRMEYZHLXATC-VWKSAYTASA-N	371.298	-1.692	30	1	FAEF	biogenic,in-vitro
N[C@H](C=O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)CO	2356654187	WNWNYJSOBYTXFA-LAEGVCDKSA-N	355.296	-5.496	30	1	FAEF	
C=C[C@H](O)CC(=NOS(=O)(=O)O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356475178	RMFFGNRBBWMHJH-SZLKJPRVSA-N	373.336	-3.127	30	1	FAEF	
CC=CC#CC#CC#CC=C[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356445585	GVEFPLKPRUFLAG-ZBLLQYKHSA-N	362.378	-1.694	30	1	FAEF	
C=C(C)C#C[C@]1(O)[C@H](O)[C@H](O)[C@]2(O)C[C@H](OC(C)=O)C(C)(C)O[C@H]2[C@H]1O	2356721356	BRVXNZDJCWZASW-FVPQQVELSA-N	370.398	-1.376	30	1	FAEF	
Nc1nc(N2CCOCC2)c2ncn(CC(=O)NCCC(=O)NO)c2n1	221275064	SHFFDESORUPBTM-UHFFFAOYSA-N	364.366	-1.743	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356691846	YTJFEBUQZTULAC-VVRFCBCGSA-N	366.407	-2.368	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	28538341	VSJGJMKGNMDJCI-ZGWTUNQLSA-N	358.343	-1.592	30	1	FAEF	
C=C[C@H](O)[C@H](C=CC#CC#CC#CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356336473	NISIHBIHTDBRMT-RUOITVIXSA-N	362.378	-1.695	30	1	FAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccc(Cl)cc1	5832245	JJZLPLDPEFXQLG-LOERTSMXSA-N	368.777	-1.183	30	1	FAEF	
C[C@]12O[C@@H]1[C@H](O)C1=C(C2=O)C(NN)=c2c(O)c3c(c(O)c21)=CC=CC3=O	2356824647	GWUJFQDJSFTZOC-KBAYOESNSA-N	354.318	-1.929	30	1	FAEF	
C=C[C@@H]1C2=CCOC(=CO)C2=CC(=O)[C@@H]1O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	2356729475	JVFPFJLVWUZQBU-VLLFWUJISA-N	368.338	-1.204	30	1	FAEF	
C[C@@]1(O)[C@H]2O[C@@H]2[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356635969	QLPYUGJILSEKQD-MAWULYMGSA-N	362.331	-3.448	30	1	FAEF	
OC[C@@H]1CC[C@]2(CCO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O[C@@]12CO	2356735907	NPFGZJDRJCOHKS-BRDKQNBVSA-N	350.364	-2.905	30	1	FAEF	
C=C[C@@H](O)[C@@H](C=CC#CC#CC#CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356336472	NISIHBIHTDBRMT-NMTFTXLRSA-N	362.378	-1.695	30	1	FAEF	
[N-]=[N+]=N[C@H]1CN[C@H](C(=O)N[C@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	27764878	RZVCQXPIUDYYLX-PRJMDXOYSA-N	356.347	-2.127	30	1	FAEF	
CC=CC#CC#CC#CC=C[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356445584	GVEFPLKPRUFLAG-WXJALIKYSA-N	362.378	-1.694	30	1	FAEF	
C=C1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356632712	PQLXZSZTCRYPHH-WXGBVMMZSA-N	358.343	-1.290	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	36176530	CGLPLISQPBTAKX-YJZJWAJYSA-N	359.247	-1.331	30	1	FAEF	
CC(=O)N[C@H](CO)[C@H](C=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O	2356815741	CUSVKSYUKVCGOL-MCKGTNQJSA-N	364.351	-3.989	30	1	FAEF	
C=C1CS[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O	13511003	BWZHRGCVOALLHA-UGKPPGOTSA-N	357.388	-1.022	30	1	FAEF	in-vitro
C=C[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C2C(=O)OCC[C@H]21	2356704735	FYSKLDZBRXIWLZ-XNAMKHQTSA-N	356.371	-1.133	30	1	FAEF	
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@@H]2C(=O)OCC[C@H]21	238739783	JFRMEIYEZULHSL-DOUMRPGDSA-N	360.359	-1.859	30	1	FAEF	
COC1=CC(=O)N(C)[C@H](O)[C@@]1(C#N)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	254135584	QZRKNNXRNBTODR-LJTTVAIKSA-N	360.319	-3.614	30	1	FAEF	
C=C[C@H]1[C@H](CC=O)C(C(=O)O)=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356471149	PUEUIRDVQIKCCG-PBOLVYJUSA-N	374.342	-1.865	30	1	FAEF	
[N-]=[N+]=N[C@H]1CN[C@@H](C(=O)N[C@H](CCCN/C(N)=N/[N+](=O)[O-])C(N)=O)C1	27764884	RZVCQXPIUDYYLX-BWZBUEFSSA-N	356.347	-2.127	30	1	FAEF	
O=CN1C[C@H](NOS(=O)(=O)O)CC[C@H]1C(=O)NC1CCNCC1	98209180	VGHMECNLFQGIJM-MNOVXSKESA-N	350.397	-1.832	30	1	FAEF	in-vitro
C=C[C@@H]1[C@@H]2CCOC(=O)[C@@H]2CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356480586	JFRMEIYEZULHSL-LTYSOAORSA-N	360.359	-1.859	30	1	FAEF	
NC(=O)C[C@@H](/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	33493924	PMPYSLWEJHCQBE-QWEIRQIHSA-N	358.311	-4.077	30	1	FAEF	
OCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@@H](O)[C@H]1O[C@@H]21	2356561509	GLWQPCVQIMBHJQ-OZGTWXQSSA-N	362.331	-3.590	30	1	FAEF	
C=C1CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356632713	PQLXZSZTCRYPHH-XMJXXWPSSA-N	358.343	-1.290	30	1	FAEF	
N/C(=N\O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)N1CCc2ccccc2C1	87529143	IOVMNRAFAPHDOK-AIUMHDJVSA-N	367.358	-1.817	30	1	FAEF	in-vitro
COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(=O)C=C[C@H]12	238775809	IKFVJCMZZBWMML-FGWMBYDASA-N	372.326	-2.413	30	1	FAEF	
O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@H]1O	13382436	ITENTBHADJNDDH-XYXZIBEBSA-N	352.295	-1.580	30	1	FAEF	endogenous,in-man
C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257711354	YTJFEBUQZTULAC-APEZCVRGSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
O=C(O[C@@H]1CNC[C@@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168656	VRYKBCSBUNKFHW-RYPBNFRJSA-N	353.328	-1.158	30	1	FAEF	
COC(=O)CCC#CC#C/C=C\CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447611	KMCLOJYUKASTFN-IQIFZCBFSA-N	354.355	-1.681	30	1	FAEF	endogenous,in-man
Cc1cc(S(=O)(=O)N[C@H](CCNC(=O)CN)C(=O)NO)ccc1F	14946095	QQBLPCWXUNQXJP-LLVKDONJSA-N	362.383	-1.249	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	253635143	CGLPLISQPBTAKX-TXEWHJSPSA-N	359.247	-1.331	30	1	FAEF	
O=C(N[C@@H]1CCNC[C@@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168572	BFXWSEXOZZPNPH-RGOKHQFPSA-N	366.371	-1.194	30	1	FAEF	
O=C[C@@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	2356562176	PNTVHTLNMIMGQX-DCUZODFNSA-N	356.280	-5.462	30	1	FAEF	
C=CCSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5052831	GUGINDRESZHQCY-TXRROPDSSA-N	355.376	-1.409	30	1	FAEF	
COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623667	QZRKNNXRNBTODR-YNSVWRNSSA-N	360.319	-3.614	30	1	FAEF	
N[C@H](C=O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)[C@@H](O)CO	2356654185	WNWNYJSOBYTXFA-BHXHEWMASA-N	355.296	-5.496	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)SC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	2356834901	KFPCYRKYFHTJMN-LWFNUECDSA-N	359.378	-1.772	30	1	FAEF	
COC1=C(N)C[C@](O)(COS(=O)(=O)O)CC1=N[C@@H](C(=O)O)[C@@H](C)O	2356842283	MMOGULPLUDJMKA-AKGNYGMASA-N	368.364	-1.578	30	1	FAEF	
CC1=C2COC[C@@]23C(=O)[C@@](O)(C1=O)[C@]12COCC1=C(C)C(=O)[C@@]3(O)C2=O	13439560	QMHFCPLGUKRQDC-USTZCAOPSA-N	360.318	-1.568	30	1	FAEF	
C=C1CS[C@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O	59067049	BWZHRGCVOALLHA-LTGWCKQJSA-N	357.388	-1.022	30	1	FAEF	in-vitro
Cc1ccc(C#Cc2nc(C(N)=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)n2)cc1	45244997	NHHBJUWQNFFGDG-LSCFUAHRSA-N	358.354	-1.303	30	1	FAEF	
OC[C@H]1O[C@H](O[C@@H]2O[C@H]3C[C@H]4[C@H]5O[C@@H]5[C@](O)(CO3)[C@H]24)[C@@H](O)[C@H](O)[C@H]1O	2356606447	PZCGOEDCXJGTFD-XJSVSPNUSA-N	362.331	-3.350	30	1	FAEF	
C=CCN[C@@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@H](CCC(=O)C=[N+]=[N-])C(=O)O	26656960	LYUGICBKRYXVHJ-QWHCGFSZSA-N	364.362	-1.000	30	1	FAEF	
C#CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F	49110507	CFCWKZFABGHQRD-PYHGXSLLSA-N	357.250	-1.732	30	1	FAEF	
C=C[C@@](C)(O)CC[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O	2356588872	KOPYZLMAIKVLRO-TWWCOLMVSA-N	350.408	-1.340	30	1	FAEF	
OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@@H](S)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	27406215	WWQGFVMHCVKSPY-AORAQIJFSA-N	358.365	-4.460	30	1	FAEF	
COc1cccc(C=CC(=O)[C@]2(O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1OC	2356863362	VFSPQLVRDTTYPO-WKOIVZFLSA-N	370.354	-1.552	30	1	FAEF	
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@]3C)[C@]1(O)[C@H]2COC(=N)O	1857536125	YMGWZHNOYQVRLT-ZPXVWOKHSA-N	364.358	-1.923	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	2356391087	PQKZBISFNFBDTF-IWNMEFNESA-N	372.323	-6.194	30	1	FAEF	
COC[C@H](C)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33836673	MKYNRXNWWOPKBP-IMDBTTTGSA-N	357.411	-1.605	30	1	FAEF	
O=C(N[C@@H]1CNC[C@H]1O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220684	WKVPWLFTUYHWDY-UYXSQOIJSA-N	350.353	-2.562	30	1	FAEF	
CC(=O)O[C@@H]1[C@@H](O)[C@H]2O[C@@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1	169296635	XGCUCFKWVIWWNW-VTARXPOXSA-N	354.355	-1.296	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O	261499254	YBWAUUBLHOFOPK-ZIUSUFHQSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
C=C[C@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655916	AVPBONMPAMZUKG-CXWMCGOJSA-N	354.355	-1.683	30	1	FAEF	
O=C(O[C@@H]1CNC[C@@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	220091138	VRYKBCSBUNKFHW-XSPKLOCKSA-N	353.328	-1.158	30	1	FAEF	
OC[C@H]1O[C@@H](NC(=S)N/N=C\c2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	58633273	FGOQDTKKNPWEBN-ARDSGTFASA-N	357.388	-2.010	30	1	FAEF	in-vitro
N[C@@H](C=O)[C@H](O[C@@H]1O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)CO	238769356	WNWNYJSOBYTXFA-JKGVMITJSA-N	355.296	-5.496	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	257612923	WTGXAWKVZMQEDA-HRSNZQSQSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
C[C@@H]1CC[C@@]2(O)[C@@H](C=O)CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356653058	ZBPVALREIFKLPB-INBBGPNCSA-N	362.375	-2.249	30	1	FAEF	
COC(=O)NCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26494762	RGKPCUOMVPPHQX-DTWKUNHWSA-N	371.398	-1.975	30	1	FAEF	
O=C(N[C@H]1CCNC[C@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	96168678	BFXWSEXOZZPNPH-JXUBOQSCSA-N	366.371	-1.194	30	1	FAEF	
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N=C(N)N)ncnc32)[C@H](O)[C@@H]1O	28636726	QMUIGEKTFVSTGA-FLNNQWSLSA-N	350.339	-2.514	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@@H](CCC(=O)O)C(=O)O	2356307391	VIQCONDNYYHNRC-VXJOIVPMSA-N	374.346	-1.205	30	1	FAEF	
N#C[C@]1(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	257508198	OXUIYNFEUWRHJJ-HSBJXMDPSA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257618823	XCRGUWJZEOHKGC-BCBNFTSZSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	2356391089	PQKZBISFNFBDTF-JQAKRLNRSA-N	372.323	-6.194	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)OCC[C@H]21	2356754556	MSEZCSKUABFUMV-PVWCUJFUSA-N	372.370	-1.202	30	1	FAEF	
COc1cccc(C=CC(=O)[C@]2(O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1OC	2356863361	VFSPQLVRDTTYPO-VJOHVRBBSA-N	370.354	-1.552	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H]([N@@]3C)[C@@]12OC	1857624134	HDNPUSAWWBZZNX-OKCRQTHASA-N	362.386	-1.048	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257513436	PLYQBXHVYUJNQB-HYCSBFIESA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
COC(=O)CCC#CC#C/C=C\CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85843403	KMCLOJYUKASTFN-XXLHVZPZSA-N	354.355	-1.681	30	1	FAEF	in-man
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356436706	XCRGUWJZEOHKGC-BONHGPHZSA-N	368.382	-1.292	30	1	FAEF	
O=C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O	238781039	BHXRSIHHJCGSEY-ZBFUYPCSSA-N	356.280	-5.462	30	1	FAEF	
COC[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33836675	MKYNRXNWWOPKBP-NLTWPBFGSA-N	357.411	-1.605	30	1	FAEF	
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CC[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238751948	FYSKLDZBRXIWLZ-FQNJVXMISA-N	356.371	-1.133	30	1	FAEF	
O=C1C2=C3[C@@H]4c5c(c[nH]c51)CCN4[C@H]1[C@H](O)CC(=O)[C@@]3(C[C@@H](O)N2)[C@H]1O	2356827875	IQGGBCCGPBHXTJ-YDPXGEHHSA-N	357.366	-1.261	30	1	FAEF	
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	238740923	NBTUEARNKVTGKY-VDQQCXGFSA-N	356.280	-5.462	30	1	FAEF	
OC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O	58632312	YXAUMHVOUHQJAX-IVSPNHRTSA-N	357.388	-2.010	30	1	FAEF	in-vitro
O=C(NCC1(F)CNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168584	VSSMELCXJUVNNA-SFYZADRCSA-N	352.344	-1.583	30	1	FAEF	
O=C[C@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	2356562174	PNTVHTLNMIMGQX-CKNGYJANSA-N	356.280	-5.462	30	1	FAEF	
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	257612924	WTGXAWKVZMQEDA-UVGOUCATSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
OCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]3O[C@H]3[C@H](O)[C@H]12	2356561510	GLWQPCVQIMBHJQ-RJDBQBGESA-N	362.331	-3.590	30	1	FAEF	
C[C@@]12O[C@@H]1[C@H]1O[C@H]3C[C@@]1(O)[C@H]2[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O3	2356620085	DUMLQBJMFXEXLW-SHGRMIRMSA-N	362.331	-3.207	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCCNC(N)=S)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26495703	UOKHANRBJQEDHX-JGVFFNPUSA-N	372.455	-2.497	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCO	28771375	SUAVDNSMMJUXNU-BBBLOLIVSA-N	362.231	-2.362	30	1	FAEF	
C=C(C)C#C[C@@]1(O)[C@@H](O)[C@H]2OC(C)(C)[C@@H](O)C[C@@]2(OC(C)=O)[C@@H](O)[C@H]1O	2356717241	LBFSPVGODSZUPR-SHDVQUTMSA-N	370.398	-1.376	30	1	FAEF	
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@@H]3CN21	101384436	VWTQUILISBTGND-XIVHWCCNSA-N	372.381	-1.387	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	26172199	CGLPLISQPBTAKX-PMXVLSJRSA-N	359.247	-1.331	30	1	FAEF	
O=C(N[C@@H]1CNC[C@@H]1O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207126407	WKVPWLFTUYHWDY-KZVJFYERSA-N	350.353	-2.562	30	1	FAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	40752726	LYKKQDPBYOGRJQ-OELUCEDZSA-N	373.274	-1.347	30	1	FAEF	
C=C[C@@H]([C@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CCOC(=O)C1=C	2356614518	XQIQUYZVOKAIMS-MESNXWEISA-N	360.359	-1.957	30	1	FAEF	
CCCCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	84738787	ZIAKFTYLGUACKB-XYFZXANASA-N	368.386	-1.559	30	1	FAEF	in-vitro
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	169316327	CGLPLISQPBTAKX-BQKWSTEKSA-N	359.247	-1.331	30	1	FAEF	
C[C@]12O[C@H]1[C@H](O)[C@]1(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	255270916	UBAIOTDKPLIEDD-GFWRSVENSA-N	362.331	-3.448	30	1	FAEF	
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	15047350	WTGXAWKVZMQEDA-OFVCQEMXSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
C=CCN[C@H](CCC(=O)C=[N+]=[N-])C(=O)N[C@H](CCC(=O)C=[N+]=[N-])C(=O)O	26656951	LYUGICBKRYXVHJ-CHWSQXEVSA-N	364.362	-1.000	30	1	FAEF	
CC(=O)N[C@H](C(=O)N1CCSCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560262	BDSRBHWIGUHRNH-RHYQMDGZSA-N	371.463	-1.181	30	1	FAEF	
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O	100803274	BNWQCKIFSBWSMV-LXGMQVLHSA-N	364.358	-2.025	30	1	FAEF	
CC(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(=O)N[C@@H](CC(C)C)C(N)=O	13586827	IUPXITXNEAGXNK-QWRGUYRKSA-N	373.414	-1.617	30	1	FAEF	
C/N=C(/N)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O	26496584	XCDIOWVOEBEDBL-IUCAKERBSA-N	369.430	-2.796	30	1	FAEF	
CCN(CC)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@](O)(C(=O)O)C[C@@H]1N=C(N)N	13560267	SLTJBSDIFKVLCP-ZVXAKGHKSA-N	357.411	-1.773	30	1	FAEF	
OC[C@@H]1O[C@@H](/N=C2/N[C@H]3[C@@H](O2)[C@H](O)[C@@H](O)[C@@]3(O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	255248283	NRKVPNOUINUNKY-HCXILHIVSA-N	366.323	-6.042	30	1	FAEF	
NC(=O)C[C@H](/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1)C(=O)O	33493925	PMPYSLWEJHCQBE-LJRSMJOYSA-N	358.311	-4.077	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCO	36175630	SUAVDNSMMJUXNU-KXUCPTDWSA-N	362.231	-2.362	30	1	FAEF	
CCCCCCCC(=O)OC[C@H](NC(=O)[C@H](CO)NC(=O)CN)C(N)=O	43382073	GKMGUJNDOWMWRA-RYUDHWBXSA-N	374.438	-1.704	30	1	FAEF	
C[C@]1(O)[C@H](O)C2=C(C3=C(C(=O)c4c(O)cccc4C3=O)[C@@H]2N[N])[C@H](O)[C@H]1O	2356838135	LQORSZYPRFSBQO-IHXXTUNLSA-N	372.333	-1.833	30	1	FAEF	
OC[C@H]1O[C@@H](O[C@@H]2O[C@@H]3C[C@H]4[C@@H]5O[C@@H]5[C@@](O)(CO3)[C@@H]24)[C@H](O)[C@@H](O)[C@@H]1O	147061295	PZCGOEDCXJGTFD-AEMORKODSA-N	362.331	-3.350	30	1	FAEF	
O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)N1C[C@@H]2CNC[C@H]2C1	96168606	HAUNXFWIZFSLID-MMWGEVLESA-N	360.392	-1.333	30	1	FAEF	
CN(C(=O)C[C@@H](N)c1csc(CN)n1)[C@H]1CN=C(/N=C(/N)O)NC1=O	26578851	FSALNPODVNMWHH-SVRRBLITSA-N	368.423	-1.823	30	1	FAEF	
N#Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc[nH]c(=O)c12	95635587	SLSLAOAWXDQJRN-PPSWKLDYSA-N	372.230	-1.675	30	1	FAEF	in-vitro
COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)C=C[C@H]12	2356517390	IKFVJCMZZBWMML-VMMALQQYSA-N	372.326	-2.413	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N2O	13481680	WTGXAWKVZMQEDA-SONOJGRGSA-N	373.314	-2.048	30	1	FAEF	in-man,metabolite
C=C1CS[C@@H]2[C@H](NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2[C@@H]1C(=O)O	13511000	BWZHRGCVOALLHA-ZIYJGFGOSA-N	357.388	-1.022	30	1	FAEF	in-vitro
CN(C(=O)C[C@@H](N)CCCCN=C(N)N)[C@H]1CN=C(/N=C(/N)O)NC1=O	26495739	AOAADTXCWHEXJQ-IUCAKERBSA-N	369.430	-2.667	30	1	FAEF	
CCCO[C@H]([C@H](O)CO)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O	13443810	PFUSBAPXPQZUIJ-IINAIABHSA-N	374.394	-2.351	30	1	FAEF	
OCO[C@H]1[C@H](OCO)CO[C@]1(S)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	1857755678	MQESDNPFPPXHDT-NFFPDGQRSA-N	374.364	-3.913	30	1	FAEF	
O=C[C@@]1(C=CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@H](CO)C[C@H]1O	2356421532	NELMAQVIHPLRNA-LVARIGDDSA-N	362.375	-2.345	30	1	FAEF	
NC(=S)N/N=C\c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	45298921	DBGYDWDJCGBBIX-ZOOHBVGZSA-N	357.388	-1.968	30	1	FAEF	
C=C1CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	36374689	PQLXZSZTCRYPHH-WPGQLIKVSA-N	358.343	-1.290	30	1	FAEF	
C[C@]1(O)[C@H]2O[C@H]2[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	139919446	QLPYUGJILSEKQD-KOCOXTSUSA-N	362.331	-3.448	30	1	FAEF	
C=C(C)C#C[C@@]1(O)[C@@H](O)[C@H]2OC(C)(C)[C@@H](OC(C)=O)C[C@@]2(O)[C@@H](O)[C@H]1O	2356721358	BRVXNZDJCWZASW-SHDVQUTMSA-N	370.398	-1.376	30	1	FAEF	
C[C@]12O[C@H]1C[C@@H]1C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356725969	DYJXNICFFHYULW-NIVINYODSA-N	374.342	-2.079	30	1	FAEF	
CC(=O)N[C@@H](C(=O)N1CCOCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29557180	FSYGUMKCUCGVAO-FIQHERPVSA-N	355.395	-1.897	30	1	FAEF	
CCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1	101345274	GOWXONIFDQHALJ-ZDVFKUJDSA-N	372.466	-1.085	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1cccs1	195515375	MAGJUPNOVKSNDM-FPGULLRCSA-N	370.387	-2.414	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257618824	XCRGUWJZEOHKGC-CHMHSJMSSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(CO)=C(N)C3=O)N1C[C@@H]1N[C@@H]12	139864434	IJMKIBKOQUOWAH-WUDYKRTCSA-N	350.331	-2.679	30	1	FAEF	
NC(=O)c1ccc[n+](CC(=O)N2CC[C@@H]3[C@H]2C(=O)N3S(=O)(=O)O)c1	13781314	BYNLIVLZZWTJLF-KOLCDFICSA-O	355.352	-2.313	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	137636185	YTJFEBUQZTULAC-CJJZWMLWSA-N	366.407	-2.368	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C\c1c[nH]c2ccccc12	195509128	QAZMJYCKHLEVNN-YMKSZARFSA-N	373.369	-1.355	30	1	FAEF	
C=C[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@H]21	85644485	VSJGJMKGNMDJCI-QXSNVGMTSA-N	358.343	-1.592	30	1	FAEF	biogenic,in-vitro
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@H]3[C@]1(OC)[C@@H]2COC(N)=O	195052340	BNWQCKIFSBWSMV-NYFUUAQPSA-N	364.358	-2.025	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14512604	XCRGUWJZEOHKGC-WXPQKEBOSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
C=C(COS(=O)(=O)O)[C@@H](C#N)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238769918	XRVSCIZCEJNBIO-HDKHJMDYSA-N	355.321	-2.929	30	1	FAEF	
O=[N+]([O-])c1ccc(O/N=C2\O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	253635141	CGLPLISQPBTAKX-OIWHRSFCSA-N	359.247	-1.331	30	1	FAEF	
C=C[C@](C)(CC[C@H](O)C(C)(C)O)O[C@]1(O)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356608251	JMGIKHUMNKXAFQ-FQHZQCEESA-N	366.407	-2.020	30	1	FAEF	
CCC(=O)N(O)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O	28337020	OCIHBUXSXFCWOR-YTUKDDMISA-N	353.335	-1.040	30	1	FAEF	
CN1C[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)C(O)=N/C1=N\C(N)=O	36465166	BGBUHGLMONTEDD-DTWKUNHWSA-N	369.430	-1.869	30	1	FAEF	
CC#CC#CC#CC#CCC[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356385385	LIVZHGSTYIVZNV-QKDSSNGWSA-N	362.378	-2.023	30	1	FAEF	
CC1=C2COC[C@@]23C(=O)[C@](O)(C1=O)[C@@]12COCC1=C(C)C(=O)[C@]3(O)C2=O	105576722	QMHFCPLGUKRQDC-XLAORIBOSA-N	360.318	-1.568	30	1	FAEF	
O=C1O[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C[C@H]2O[C@@H]12	2356428353	IVFBMNJBVVHWKL-FQVGIJIASA-N	368.338	-1.379	30	1	FAEF	
O=C[C@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)C(=O)O	2356480828	SYBQLSSECRIKMJ-VQHAVZGISA-N	370.263	-5.370	30	1	FAEF	
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	14975887	GBBWDDPNGBRVEX-YXZULKJRSA-N	365.195	-1.793	30	1	FAEF	in-vitro
C=C[C@H]1[C@@H]2CCOC(=O)C2=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85900443	VSJGJMKGNMDJCI-PLOCGTKWSA-N	358.343	-1.592	30	1	FAEF	biogenic,in-vitro
Cc1ccc(/C=N/NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	58633555	DVGNOMWZPXETCK-VSZQLFBDSA-N	355.416	-1.407	30	1	FAEF	in-vitro
CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(P(=O)(O)O)O[C@H]1[C@H](O)[C@H](O)CO	198910205	HEKSUERWMXOZQL-UFGQHTETSA-N	368.283	-3.735	30	1	FAEF	
C[C@@H]1CC[C@]2(O)[C@@H](C=O)CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356653061	ZBPVALREIFKLPB-WSQUTXHASA-N	362.375	-2.249	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	14916970	PLYQBXHVYUJNQB-MTLSKXOBSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
COCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O	100802806	YMGWZHNOYQVRLT-UMNDVAMSSA-N	364.358	-2.337	30	1	FAEF	
N#C[C@@H](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O	169339542	UTOPPJDOOMWYEY-VQPBACBFSA-N	370.262	-1.512	30	1	FAEF	
N=C(N)/N=C(\NCCc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	299808617	XNMFXUJJCOILFK-DHGKCCLASA-N	367.406	-2.542	30	1	FAEF	
C=C1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	36374687	PQLXZSZTCRYPHH-OGJQONSISA-N	358.343	-1.290	30	1	FAEF	
COC1=C(N)C[C@](O)(COS(=O)(=O)O)CC1=N[C@H](CO)C(=O)O	2356872510	YZRIYRPFJTZLCJ-LDYMZIIASA-N	354.337	-1.966	30	1	FAEF	
CCN(CCO)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560234	IJFSSGKKDQRZSI-RHYQMDGZSA-N	357.411	-1.915	30	1	FAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC[C@@H]2C(=O)OCC[C@@H]21	2356480587	JFRMEIYEZULHSL-PPRBGARXSA-N	360.359	-1.859	30	1	FAEF	
O=C[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@H](O)[C@H](O)CO	238755395	SYZNAVOGLCTGII-DLXKUSAOSA-N	356.280	-5.462	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](CO)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14592273	YTJFEBUQZTULAC-PIFWCUCSSA-N	366.407	-2.368	30	1	FAEF	endogenous,in-man
O=C(Nc1ccc2nsnc2c1)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	653725572	NMAZAEKGKSSISU-CHWFTXMASA-N	369.359	-1.400	30	1	FAEF	
C=CCN=C(OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356843357	NKXGDFSULBANNL-WUNNTHRKSA-N	359.378	-2.119	30	1	FAEF	
COC1=C(N)C[C@@](O)(COS(=O)(=O)O)CC1=N[C@@H](CO)C(=O)O	2356872509	YZRIYRPFJTZLCJ-KWQFWETISA-N	354.337	-1.966	30	1	FAEF	
CC(C)(C)C#Cc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1	28397163	HLYLBZNOLALIME-UHFFFAOYSA-N	367.450	-1.149	30	1	FAEF	
C[C@@]1(O)[C@@H](O)[C@@H](O)C2=C(C(NN)=c3c(O)c4c(c(O)c32)=CC=CC4=O)[C@H]1O	2356822165	FSUCNDSYVBNCFN-MHORFTMASA-N	374.349	-3.183	30	1	FAEF	
COC[C@@H](C)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560210	MKYNRXNWWOPKBP-KLIJAQQISA-N	357.411	-1.605	30	1	FAEF	
O=C(N[C@@H]1CNC[C@@H]1O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168577	WKVPWLFTUYHWDY-HXFLIBJXSA-N	350.353	-2.562	30	1	FAEF	
C#C[C@@H]1[C@H](NC(=O)/C(=N/OC)c2csc(N)n2)C(=O)N1S(=O)(=O)O	26573299	GFQRAYFTDGUNFQ-TUKFIYPTSA-N	373.372	-1.793	30	1	FAEF	
C=C[C@@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257618825	XCRGUWJZEOHKGC-VHHJQRMMSA-N	368.382	-1.292	30	1	FAEF	endogenous,in-man
O=C(C=CC1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@@H]1O	2356657502	ITENTBHADJNDDH-LMWOUKEDSA-N	352.295	-1.580	30	1	FAEF	
C=C[C@H]([C@@H]1CCOC(=O)C1=C)[C@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356614519	XQIQUYZVOKAIMS-WLEUBNQJSA-N	360.359	-1.957	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1C[C@H]1CO1	169346944	VIYUNHRGACHVDN-AXTSPUMRSA-N	364.247	-1.764	30	1	FAEF	
CN(C(=O)C[C@H](N)C[C@@H]1CNCCO1)[C@H]1CN=C(/N=C(/N)O)NC1=O	26496953	WFVGCTKAJWAEJX-BBBLOLIVSA-N	355.399	-2.732	30	1	FAEF	
CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N4CC4)C3=O)N1C[C@H]1N[C@H]12	49589472	FKJOSOXAGBHNJN-KPHSQFCKSA-N	360.370	-1.294	30	1	FAEF	
C=CCN=C(OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356843355	NKXGDFSULBANNL-NXRLNHOXSA-N	359.378	-2.119	30	1	FAEF	
[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)C[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	53243808	FFVKGWXPOSRUAD-HRDYMLBCSA-N	355.359	-1.036	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	2356744345	XHACZRKXNRWLKD-HXSPUGARSA-N	366.407	-2.368	30	1	FAEF	
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O	49072257	UJHOFIRXVCLRJQ-RYUDHWBXSA-N	364.358	-1.599	30	1	FAEF	
NC(N)=NS(=O)(=O)c1ccc(NC=C2C(=O)NC(=S)NC2=O)cc1	138319999	XNDDUIGSLZCKQW-UHFFFAOYSA-N	368.400	-1.525	30	1	FAEF	
N#C[C@]1(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	2356554014	OXUIYNFEUWRHJJ-QUDGDEPSSA-N	367.332	-2.787	30	1	FAEF	
COC1=CC(=O)N(C)[C@@H](O)[C@@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097521	QZRKNNXRNBTODR-PXTCDIOCSA-N	360.319	-3.614	30	1	FAEF	in-vitro
Cc1cn([C@@H]2O[C@H](CO)[C@]3(OS(=O)(=O)C=C3N)[C@H]2O)c(=O)[nH]c1=O	103018084	LFLRCVNDBZSHNA-CCCLYZFWSA-N	361.332	-3.005	30	1	FAEF	
CC(=O)N[C@@H](C(=O)N1CCSCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564282	BDSRBHWIGUHRNH-FIQHERPVSA-N	371.463	-1.181	30	1	FAEF	
COC1=C(Cl)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C	44182349	WNBAGOSXWNJWPK-ROPDBKEWSA-N	369.761	-1.099	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257381401	AVPBONMPAMZUKG-OMDCEGJDSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
CCC(=O)N1CCN(CC/N=C\c2c(O)n(C)c(=O)n(C)c2=O)CC1	1779559613	HJUVUUJCIMUSRA-BOPFTXTBSA-N	351.407	-1.237	30	1	FAEF	
O=C1OCC[C@@H]2C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@H]1CO1	2356442115	OTGGZHYFDGWERE-MKSYPWDPSA-N	374.342	-2.379	30	1	FAEF	
O=C1C2=C3C4=[N+](CCc5c[nH]c1c54)[C@H]1[C@H](O)CC(=O)[C@@]3(C[C@@H](O)N2)[C@H]1O	101329973	CUHRPNQIGJRXJO-QZSDMHOLSA-O	356.358	-1.802	30	1	FAEF	in-vivo
N#C[C@]1(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C=C[C@H](OS(=O)(=O)O)C1	100826905	OXUIYNFEUWRHJJ-PCMHDCKPSA-N	367.332	-2.787	30	1	FAEF	endogenous,in-man
COc1ccc(S(=O)(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)NO)cc1	13801731	MIWJQVMHJSFHGV-LLVKDONJSA-N	364.401	-1.012	30	1	FAEF	
C=C[C@@H]1[C@@H]2CC(=O)O[C@H]1OC=C2CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	196429130	OGVKNDDWHJWQJZ-HZMRTXLQSA-N	358.343	-1.592	30	1	FAEF	
O=C(O[C@@H]1CNC[C@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473213508	VRYKBCSBUNKFHW-UYXSQOIJSA-N	353.328	-1.158	30	1	FAEF	
COc1ccc(/C=C2/N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1	31871636	HRORYMAGQZFQHE-BTIFQHOHSA-N	364.358	-1.828	30	1	FAEF	
C=C[C@@H]1C2=CCOC(=O)C2=CO[C@@H]1O[C@]1(O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356828949	IMWOLLVGLMMYBK-XLPQJKMPSA-N	372.326	-2.352	30	1	FAEF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(Cl)=C(N)C3=O)N1C[C@@H]1N[C@@H]12	43219844	WINDCNBKKJAMJY-BCKYIULPSA-N	354.750	-1.475	30	1	FAEF	
COC(=O)C[C@@]1(O)[C@@H]2C(OC)=CC(=O)[C@@]1(O)CC(=O)[C@]2(O)C(=O)OC	85847033	BOUYJNDGQHMKLN-SPWCGHHHSA-N	358.299	-2.382	30	1	FAEF	
O=C1CC[C@H](CC#CC#CC#CCO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356518585	VMCXWPVTNUXXMZ-ZACOSQSXSA-N	364.350	-2.091	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447599	AVPBONMPAMZUKG-VYMQPAJOSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
CN(C(=O)C[C@@H](N)CC1CCNCC1)[C@H]1CN/C(=N/C(N)=O)N=C1O	66136623	YLRIODDGIUAUBS-QWRGUYRKSA-N	353.427	-1.085	30	1	FAEF	
CC(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(=O)N[C@@H](CCN)C(N)=O	13809536	RBDZHBNCYGVQCO-IUCAKERBSA-N	360.375	-3.314	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCO	36175625	SUAVDNSMMJUXNU-LPEHRKFASA-N	362.231	-2.362	30	1	FAEF	
OCO[C@@H]1CO[C@](S)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1OCO	1857755679	MQESDNPFPPXHDT-RBLWNENSSA-N	374.364	-3.913	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=N[C@@H](CCC(=O)O)C(=O)O	2356307389	VIQCONDNYYHNRC-AYVTZFPOSA-N	374.346	-1.205	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38987403	KCAYCKZTNBMWEB-KXPQCWJOSA-N	366.407	-2.368	30	1	FAEF	
N=C(N)/N=C(\NCCc1ccccc1)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	299808618	XNMFXUJJCOILFK-RKQHYHRCSA-N	367.406	-2.542	30	1	FAEF	
C=CCC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1CO	2356755100	HJUZPESFUIKMSZ-OEYYVHFRSA-N	359.378	-1.566	30	1	FAEF	
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85900439	VSJGJMKGNMDJCI-AWFVMDCYSA-N	358.343	-1.592	30	1	FAEF	biogenic,in-vitro
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2C(=O)O[C@@H](C)C[C@@H]21	2356389667	CIPFWKARTPWQGT-IWMVOXTCSA-N	372.370	-1.203	30	1	FAEF	
O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1O	13382435	ITENTBHADJNDDH-BULNTCMRSA-N	352.295	-1.580	30	1	FAEF	endogenous,in-man
C/C=C\C#CC#CC#C/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238742220	GVEFPLKPRUFLAG-ZEFDKEEMSA-N	362.378	-1.694	30	1	FAEF	
C=C[C@H](O)C/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	535360647	LHAVWGNSJBYOAH-ZLKQMKLXSA-N	373.405	-2.342	30	1	FAEF	in-vitro
CC1=CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc(O)c2C1=O	2356672826	ZHIKXQNMZOWREM-UNXGRXCASA-N	366.322	-1.104	30	1	FAEF	
CC(C)/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	30160158	WGIQZGDVCQDPTG-AKCVUUKNSA-N	361.394	-1.692	30	1	FAEF	in-vitro
COc1cc(O)c2c(c1)C(=O)[C@]13O[C@]1(C2=O)[C@H](O)[C@H](O)[C@](C)(O)[C@H]3O	2356511796	IGQRNPSFVHAGKN-RCZWDNKTSA-N	352.295	-1.865	30	1	FAEF	
COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1	5832207	HRORYMAGQZFQHE-SDXJIGDKSA-N	364.358	-1.828	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O	12495628	YBWAUUBLHOFOPK-ALCRDQKWSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-man
C=C(CC[C@@H](O)C(C)(C)O)[C@@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356680475	KCAYCKZTNBMWEB-RLWKQIJDSA-N	366.407	-2.368	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	15047353	WTGXAWKVZMQEDA-ZVUGODGUSA-N	373.314	-2.048	30	1	FAEF	endogenous,in-man
O=C[C@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	2356562179	PNTVHTLNMIMGQX-SLGCQZDDSA-N	356.280	-5.462	30	1	FAEF	
CC(=O)N[C@@H]1[C@H](O[C@@H](C=O)[C@@H](CO)NC(C)=O)O[C@H](CO)[C@H](O)[C@H]1O	2356815742	CUSVKSYUKVCGOL-MLVXWEHQSA-N	364.351	-3.989	30	1	FAEF	
COC(=O)CCC#CC#C/C=C\CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257465055	KMCLOJYUKASTFN-MAKVQZQHSA-N	354.355	-1.681	30	1	FAEF	endogenous,in-man
O=S(=O)(O)ON=C(CCO)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356445857	RFCSADBEYPEEKD-RZUPFTPKSA-N	363.366	-2.965	30	1	FAEF	
C[S@@+](C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H]1CCNC1	42964195	CQNOXFUHRONBBH-WBYGYRQDSA-N	367.455	-1.362	30	1	FAEF	
N=C(N)NCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O	49563598	CTYZRMOFXAFNIA-BQBZGAKWSA-N	361.428	-3.490	30	1	FAEF	
C[C@]12O[C@H]1[C@@H](O)C1=C(C2=O)C(NN)=c2c(O)c3c(c(O)c21)=CC=CC3=O	2356824648	GWUJFQDJSFTZOC-RYQLBKOJSA-N	354.318	-1.929	30	1	FAEF	
COc1ccc2c(c1)O[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)N2O	2356532371	WTGXAWKVZMQEDA-PWCLGXPMSA-N	373.314	-2.048	30	1	FAEF	
C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)c1ccccn1	169324992	OWZXXMXWRVFMMX-WVQISVFYSA-N	372.447	-1.952	30	1	FAEF	
C=C[C@@H]1[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2C(=O)OCC[C@]21O	238762673	HEYZWPRKKUGDCR-DALMHEJCSA-N	374.342	-2.477	30	1	FAEF	
C=C(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356781425	ILUBRPXEPXJTNF-GSLIMFEQSA-N	373.405	-1.381	30	1	FAEF	
CN(CCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O)C(=N)N	27428753	GBESJHCWKSWGHE-IUCAKERBSA-N	369.430	-2.505	30	1	FAEF	
Nc1c(/N=C/[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)[nH]c(=O)[nH]c1=O	58633075	XKTZRTIKRCUGRX-QNGFKNCYSA-N	354.212	-3.460	30	1	FAEF	in-vitro
COCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(C)=CC(=O)[C@@H]12	2356540276	SHQBCWIAMCDHGE-JMAHBXQSSA-N	372.370	-1.549	30	1	FAEF	
C[S@+](C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@@H]1CCNC1	42964199	CQNOXFUHRONBBH-NAKXNAQUSA-N	367.455	-1.362	30	1	FAEF	
CCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@](O)(C(=O)O)C[C@@H]1N=C(N)N	13560266	SLTJBSDIFKVLCP-VEABSNGSSA-N	357.411	-1.773	30	1	FAEF	
CN(CC/C(N)=N\O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	40407026	ZSWLGDWVEAMZIY-FRJWGUMJSA-N	366.382	-1.904	30	1	FAEF	
O=C[C@H](O)[C@H](O)[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)C(=O)O	2356480829	SYBQLSSECRIKMJ-XSKSSJTNSA-N	370.263	-5.370	30	1	FAEF	
C=CCOC(=O)Nc1nc(=O)n([C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F	3992370	NJASKGBHGQTLQM-PYHGXSLLSA-N	359.266	-1.179	30	1	FAEF	
[N-]=[N+]=N[C@@H]1CN[C@@H](C(=O)N[C@H](CCCN/C(N)=N/[N+](=O)[O-])C(N)=O)C1	27764872	RZVCQXPIUDYYLX-XLPZGREQSA-N	356.347	-2.127	30	1	FAEF	
C[C@@]1(O)[C@H]2O[C@H]2[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356635967	QLPYUGJILSEKQD-GTMYSXLASA-N	362.331	-3.448	30	1	FAEF	
COC[C@H](C)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	29560470	MKYNRXNWWOPKBP-KQKFNCTQSA-N	357.411	-1.605	30	1	FAEF	
C=C[C@](C)(CC[C@@H](O)C(C)(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456403	BWEHDKNACKAKFC-TWWCOLMVSA-N	350.408	-1.340	30	1	FAEF	
OC[C@H]1O[C@H](O[C@@H]2OCC[C@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@@H]3O)[C@@H](O)[C@H](O)[C@H]1O	2356581871	NYCXYIWXBJWWIL-AZBXCOKSSA-N	364.347	-3.714	30	1	FAEF	
CC=CC#CC#CC#CC#C[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356684324	NDGAURXEUHTKRL-ZBLLQYKHSA-N	360.362	-2.247	30	1	FAEF	
CN(C(=O)C[C@@H](N)CCC(=O)N=C(N)N)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66099233	TXZGIBIXTQYMTR-NKWVEPMBSA-N	369.386	-2.895	30	1	FAEF	
O=C(C=CC1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	2356657501	ITENTBHADJNDDH-HLSYRSCKSA-N	352.295	-1.580	30	1	FAEF	
CN(C(=O)C[C@@H](N)c1cc(CN)on1)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26578525	ZBXQABKDTACTTG-VXNVDRBHSA-N	352.355	-2.291	30	1	FAEF	
N#C[C@@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@H](OS(=O)(=O)O)C1	5554310	OXUIYNFEUWRHJJ-AOBMHGRSSA-N	367.332	-2.787	30	1	FAEF	in-man
C=C(COS(=O)(=O)O)[C@@H](C#N)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356610770	XRVSCIZCEJNBIO-QHAQEBJBSA-N	355.321	-2.929	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@@H](CC(=O)O)C(=O)O	2356302854	GQAVPZQZWXLFDJ-JKYUHCHBSA-N	360.319	-1.595	30	1	FAEF	
CC#CC#CC#CC=CCC[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356423458	ADJWTXWHZNJJMU-WXJALIKYSA-N	364.394	-1.470	30	1	FAEF	
N#Cc1cn([C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2ncnc(N)c12	95635579	GLYAMNXJUPATCT-PPSWKLDYSA-N	371.246	-1.386	30	1	FAEF	in-vitro
CC(=O)CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CS)C(N)=O	48946514	KDRNAHHNWXSUIT-UWVGGRQHSA-N	374.467	-1.996	30	1	FAEF	
NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CS	48999580	WXTZXEZIFDSMAS-QWRGUYRKSA-N	369.399	-1.206	30	1	FAEF	
C#CCNC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3N[C@@H]3CN21	1574905	VWTQUILISBTGND-WJQNRWOOSA-N	372.381	-1.387	30	1	FAEF	
C=C[C@@H](C#CC#CCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85843399	AVPBONMPAMZUKG-MCKIZEOXSA-N	354.355	-1.683	30	1	FAEF	in-man
C=C1[C@H](O)[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356636340	FDYKNQLJISZPIJ-PXZVGREZSA-N	362.331	-3.688	30	1	FAEF	
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1	14277355	GGOAQSGCBDRTHT-JAKMQLQISA-N	361.350	-1.887	30	1	FAEF	in-vivo
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	28525271	LYKKQDPBYOGRJQ-CVEAOICBSA-N	373.274	-1.347	30	1	FAEF	
O=C([C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O)N1C[C@@H]2CNC[C@H]2C1	473220493	HAUNXFWIZFSLID-NAKRPEOUSA-N	360.392	-1.333	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H]([N@]3C)[C@]12OC	1857624133	HDNPUSAWWBZZNX-KUYMFESHSA-N	362.386	-1.048	30	1	FAEF	
O=C(/C=C\C1=CC(=O)C(=O)C=C1)O[C@@H]1C[C@](O)(C(=O)O)C[C@@H](O)[C@@H]1O	13382434	ITENTBHADJNDDH-KFUKKDEASA-N	352.295	-1.580	30	1	FAEF	endogenous,in-man
CC[C@H](COC)NC(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	33818941	GXBYHDNSUOJGPX-FPYNETTCSA-N	371.438	-1.215	30	1	FAEF	
OC[C@@H]1O[C@H](/N=C2/N[C@@H]3[C@H](O2)[C@@H](O)[C@@H](O)[C@]3(O)CO)[C@@H](O)[C@H](O)[C@H]1O	255248281	NRKVPNOUINUNKY-GPUDDCDISA-N	366.323	-6.042	30	1	FAEF	
O=c1[nH]c2ccccc2[nH]c1=N/N=C/[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	1857653119	VCDYJXYAANGOBJ-XHGUEITFSA-N	350.331	-2.415	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O	2356441697	BHXRSIHHJCGSEY-ULHQAHRKSA-N	356.280	-5.462	30	1	FAEF	
C=C[C@H](C#CC#CCCCC(=O)OC)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85915185	XCRGUWJZEOHKGC-YFXBATGZSA-N	368.382	-1.292	30	1	FAEF	in-man
COc1ccc2c(c1)O[C@H](O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N2O	13481679	WTGXAWKVZMQEDA-RWBGOSSDSA-N	373.314	-2.048	30	1	FAEF	in-man,metabolite
C[C@@H]1CC[C@@]2(O)[C@H](C=O)CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356653060	ZBPVALREIFKLPB-URLIJDJQSA-N	362.375	-2.249	30	1	FAEF	
CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O	40164477	YBWAUUBLHOFOPK-LJIGMXDYSA-N	367.351	-4.383	30	1	FAEF	in-man
COC1=CC(=O)N(C)[C@@H](O)[C@@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1857623664	QZRKNNXRNBTODR-KQQLOSSVSA-N	360.319	-3.614	30	1	FAEF	
O=C1OCC[C@H]2C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@H]1CO1	2356442117	OTGGZHYFDGWERE-UADDMXGASA-N	374.342	-2.379	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@@H](C(=O)O)[C@H](C)O	2356845803	OHSPMPINWYCCAI-TWCBXKCUSA-N	362.335	-2.718	30	1	FAEF	
COC1=C(N)C[C@](O)(COS(=O)(=O)O)CC1=N[C@@H](CO)C(=O)O	2356872507	YZRIYRPFJTZLCJ-GZMMTYOYSA-N	354.337	-1.966	30	1	FAEF	
[N-]=[N+]=N[C@H]1CN[C@H](C(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O)C1	27759755	RZVCQXPIUDYYLX-CSMHCCOUSA-N	356.347	-2.127	30	1	FAEF	
C=C1[C@@H](n2cc(I)c(=O)[nH]c2=O)O[C@H](CO)[C@@H]1O	27895588	AWNMJUBKPPDYPR-BHNWBGBOSA-N	366.111	-1.052	30	1	FAEF	
C[C@@]1(O)[C@@H](O)[C@@H](O)C2=C([C@@H](N[N])C3=C2C(=O)c2cccc(O)c2C3=O)[C@H]1O	2356838137	LQORSZYPRFSBQO-RPCVNMKUSA-N	372.333	-1.833	30	1	FAEF	
NC(=S)N/N=C\c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	45254501	DBGYDWDJCGBBIX-LIXADGMHSA-N	357.388	-1.968	30	1	FAEF	
NS(=O)(=O)/N=C(\O)OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O	28525348	RZQLULXVZJYHAJ-VMHSAVOQSA-N	350.309	-2.681	30	1	FAEF	
CCC[C@@H](O)C#Cc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49018382	BFWNZLHVAVJTFL-SIPHROFFSA-N	363.374	-1.468	30	1	FAEF	
O=C1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2cc(O)ccc2N1O	2356871619	YCPMEKOJGFYFJJ-DMDLKNQCSA-N	359.287	-2.351	30	1	FAEF	
O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356466610	NBTUEARNKVTGKY-XENBNTTBSA-N	356.280	-5.462	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	2356744344	XHACZRKXNRWLKD-BXPKWHOZSA-N	366.407	-2.368	30	1	FAEF	
C[C@]12O[C@H]1[C@@H]1O[C@H]3C[C@]1(O)[C@@H]2[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)O3	255207999	DUMLQBJMFXEXLW-OEMMYUEDSA-N	362.331	-3.207	30	1	FAEF	
CC1=CC(=O)[C@@H]2C[C@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)OC=C2CO	2356637182	JJUACHJWALUCMP-UIDFNMOTSA-N	358.343	-2.059	30	1	FAEF	
CN(C(=O)C[C@@H](N)CC1CCNCC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66136622	YLRIODDGIUAUBS-WDEREUQCSA-N	353.427	-1.085	30	1	FAEF	
COC1=CC(=O)N(C)[C@@H](O)[C@@]1(C#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14411970	QZRKNNXRNBTODR-ZFXZETQOSA-N	360.319	-3.614	30	1	FAEF	
C[S@+](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)[C@H]1CCNC1	253650526	CQNOXFUHRONBBH-QLGQWMHPSA-N	367.455	-1.362	30	1	FAEF	
O=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2cc(O)ccc2N1O	2356871622	YCPMEKOJGFYFJJ-RYDVVQTCSA-N	359.287	-2.351	30	1	FAEF	
O=C(NCC1(F)CNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207130048	VSSMELCXJUVNNA-YUMQZZPRSA-N	352.344	-1.583	30	1	FAEF	
C=CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238780517	PHZOWSSBXJXFOR-WBLNUUNSSA-N	359.378	-1.772	30	1	FAEF	
N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)O	38410984	MXPBQDFWIMBACQ-ACZMJKKPSA-N	353.422	-1.908	30	1	FAEF	in-vitro
CC(=O)O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3C=C(C)C(=O)[C@@H](O)[C@]3(CO)[C@@]1(C)[C@@]21CO1	13827640	XGCUCFKWVIWWNW-NIHYWMHVSA-N	354.355	-1.296	30	1	FAEF	
C=CCN=C(OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356843356	NKXGDFSULBANNL-QVWMKHDWSA-N	359.378	-2.119	30	1	FAEF	
C=C[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CCOC(=O)[C@@H]1CO	67912203	ISPPLOMGZOFTJR-KXHAXJDHSA-N	362.375	-2.223	30	1	FAEF	
N#CCO[C@@H]1O[C@H](COC(=O)c2cc(O)c(O)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O	2356474811	DTCRMEYZHLXATC-BJEMGHAFSA-N	371.298	-1.692	30	1	FAEF	
COC(=O)NCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O	26494766	RGKPCUOMVPPHQX-IUCAKERBSA-N	371.398	-1.975	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@H]([N@@]3C)[C@]12OC	1857624131	HDNPUSAWWBZZNX-DINBWGEXSA-N	362.386	-1.048	30	1	FAEF	
C=C(CC[C@@H](O)C(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	2356744342	XHACZRKXNRWLKD-AJSSQEGLSA-N	366.407	-2.368	30	1	FAEF	
NC(=O)C[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	49053694	FWIAKJCGLTYNRM-QWRGUYRKSA-N	352.416	-1.511	30	1	FAEF	
CC1(C)O[C@H]2[C@H]3OS(=O)(=O)O[C@H]3CO[C@@]2(COS(N)(=O)=O)O1	53684068	GGOAQSGCBDRTHT-AZRUVXNYSA-N	361.350	-1.887	30	1	FAEF	in-vivo
C=C(C)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356781427	ILUBRPXEPXJTNF-OFPNECHXSA-N	373.405	-1.381	30	1	FAEF	
N[C@H](CCC(=O)N[C@H](CSCCC=O)C(=O)NCC(=O)O)C(=O)O	201429797	RDNSBKKJIQKSJT-RKDXNWHRSA-N	363.392	-1.814	30	1	FAEF	
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@H](OC)C[C@H]21	238761862	JUJTUEBXXGRSJB-GWCUMYIGSA-N	374.386	-1.146	30	1	FAEF	
COC[C@H](C)NC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560211	MKYNRXNWWOPKBP-IXLGGCIWSA-N	357.411	-1.605	30	1	FAEF	
C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	33833865	VSJGJMKGNMDJCI-BLZVUDKZSA-N	358.343	-1.592	30	1	FAEF	
CN1C(=O)[C@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN=C1/N=C(/N)O	66075036	SWCCWPHGKWZEGS-DTWKUNHWSA-N	369.430	-2.505	30	1	FAEF	
C[N@@]1[C@H]2CN3C4=C(C(=O)C(N)=C(Cl)C4=O)[C@H](COC(=N)O)[C@@]3(O)[C@H]21	1857569137	ABTVMFFPZFRUNE-OALOSZMYSA-N	354.750	-1.373	30	1	FAEF	
C=C[C@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257381400	AVPBONMPAMZUKG-FPUJXFPJSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O	12496612	YBWAUUBLHOFOPK-ZVOBADQUSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
C#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12	1857560499	YGDMANQLVYBPFW-WOUKDFQISA-N	370.347	-2.771	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@H](CO)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	86051654	YTJFEBUQZTULAC-BNESJGNISA-N	366.407	-2.368	30	1	FAEF	in-man
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@H]4O[C@@]4(CO)[C@@H]23)[C@H](O)[C@H](O)[C@H]1O	70450942	LHDWRKICQLTVDL-HUTITFKVSA-N	362.331	-3.590	30	1	FAEF	biogenic,in-vitro
O=C(N[C@@H]1CCNC[C@H]1F)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	96168676	BFXWSEXOZZPNPH-JLIMGVALSA-N	366.371	-1.194	30	1	FAEF	
N#C[C@]1(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C=C[C@@H](OS(=O)(=O)O)C1	5554313	OXUIYNFEUWRHJJ-LTDQNYPCSA-N	367.332	-2.787	30	1	FAEF	in-man
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)cc1C#CCO	36175627	SUAVDNSMMJUXNU-UTLUCORTSA-N	362.231	-2.362	30	1	FAEF	
O=C(/N=C1/NC(=O)[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)S1)c1ccccc1	98209152	FROKMWINLHSJAI-XKJBLICVSA-N	368.367	-1.784	30	1	FAEF	in-vitro
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO)O[C@H]2[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]1O	255226023	LHDWRKICQLTVDL-GDESAUSCSA-N	362.331	-3.590	30	1	FAEF	
C=CCCO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	2356449128	BNFPVVDVDBOSCD-JZOCOUFJSA-N	366.363	-3.158	30	1	FAEF	
COc1ccc(S(=O)(=O)N2C[C@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1	13537256	SSQXFNKOLMHXPO-USZNOCQGSA-N	362.360	-2.344	30	1	FAEF	
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2CO[C@@H](OC)C[C@H]21	238743896	JUJTUEBXXGRSJB-MTAKFWDWSA-N	374.386	-1.146	30	1	FAEF	
CC(=O)NC1=CC(=O)[C@@H](N(C)C(=O)C[C@@H](N)CCCNC(=N)N)CN1	66075046	VECBUCOJZWLUOR-QWRGUYRKSA-N	353.427	-2.056	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@H](O)CO	2356519944	SYZNAVOGLCTGII-AAHVLUNISA-N	356.280	-5.462	30	1	FAEF	
C#CCOC(=O)Nc1nc(=O)n([C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H]2O)cc1F	27552109	CFCWKZFABGHQRD-ODHVRURNSA-N	357.250	-1.732	30	1	FAEF	
C=CC/N=C(/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238755260	NKXGDFSULBANNL-SMWPSRKTSA-N	359.378	-2.119	30	1	FAEF	
C=C(COS(=O)(=O)O)[C@H](C#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	15104364	XRVSCIZCEJNBIO-OJHQEIPXSA-N	355.321	-2.929	30	1	FAEF	
C=CCO[C@]1(C(=O)O)C[C@H](OC)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	72106059	UKGIGXWVMTZJGM-AOWZIMASSA-N	363.363	-2.007	30	1	FAEF	
CC1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]3O[C@H]3[C@@H](O)[C@]12O	255263418	RTVGHDMOWLNNHR-LWWOQZTESA-N	362.331	-3.448	30	1	FAEF	
C=C1[C@H](OC)O[C@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]1C(=O)C=C2C	2356391299	OMNBOKMNIVQDNN-JFXXUADISA-N	372.370	-1.407	30	1	FAEF	
N=C(N)NCCC[C@H](NC(=O)CS)C(=O)N[C@@H](CC(=O)O)C(N)=O	49019823	NIGAHAUBLLVPQF-BQBZGAKWSA-N	362.412	-2.891	30	1	FAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@H](C(=O)O)[C@H](C)O	2356845804	OHSPMPINWYCCAI-YARMHHISSA-N	362.335	-2.718	30	1	FAEF	
OC[C@H]1O[C@H](O[C@@H]2O[C@H]3C[C@H]4[C@@H]5O[C@@H]5[C@](O)(CO3)[C@H]24)[C@@H](O)[C@H](O)[C@H]1O	2356606446	PZCGOEDCXJGTFD-MSZMYPAHSA-N	362.331	-3.350	30	1	FAEF	
O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCF	27311785	BXJSSUUSVSWCKD-AEJSXWLSSA-N	364.222	-1.385	30	1	FAEF	
COc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1	195473381	HRORYMAGQZFQHE-NODHEAKKSA-N	364.358	-1.828	30	1	FAEF	
COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2C(=O)NO)cc1	13537260	SSQXFNKOLMHXPO-WYUUTHIRSA-N	362.360	-2.344	30	1	FAEF	
NOC(=O)c1nnn(CCNS(=O)(=O)c2ccccc2)c1C(=O)ON	95594176	CODQJCWISVUNOM-UHFFFAOYSA-N	370.347	-1.682	30	1	FAEF	
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	13380341	PLYQBXHVYUJNQB-XNUBBQBOSA-N	373.405	-1.381	30	1	FAEF	in-man
CNC(=O)OC[C@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@@]12OC	195510194	HDNPUSAWWBZZNX-YXTWTPRVSA-N	362.386	-1.048	30	1	FAEF	
O=C(N[C@H]1CCNC[C@@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168571	BFXWSEXOZZPNPH-KATARQTJSA-N	366.371	-1.194	30	1	FAEF	
C=C[C@H]([C@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1CCOC(=O)C1=C	2356614517	XQIQUYZVOKAIMS-KILAPVBBSA-N	360.359	-1.957	30	1	FAEF	
C=C[C@@H]1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)OC=C2C(=O)NCC[C@H]21	14858724	CYRRHDGXDUVPMO-UZCWERPSSA-N	357.359	-2.019	30	1	FAEF	in-vitro
C=CCC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	14916972	PLYQBXHVYUJNQB-ZPCCOVOYSA-N	373.405	-1.381	30	1	FAEF	endogenous,in-man
C=C[C@@H]1C2=CCOC(=CO)C2=CC(=O)[C@@H]1O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	2356729476	JVFPFJLVWUZQBU-WGAINUFWSA-N	368.338	-1.204	30	1	FAEF	
COC1=CC(=O)N(C)[C@H](O)[C@@]1(C#N)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14411973	QZRKNNXRNBTODR-XKBQBXPCSA-N	360.319	-3.614	30	1	FAEF	
N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	73224570	CNYDABJZXZOSNB-QWRGUYRKSA-N	350.331	-1.989	30	1	FAEF	
N[C@H](CCC(=O)N[C@@H](C[S+]1CCCC1)C(=O)NCC(=O)O)C(=O)O	299853216	HTIJTTYZWFCQEZ-ZJUUUORDSA-O	362.428	-1.724	30	1	FAEF	
O=C1O[C@@H](c2ccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)C[C@H]2O[C@H]12	2356428356	IVFBMNJBVVHWKL-XSQDLAESSA-N	368.338	-1.379	30	1	FAEF	
COC(=O)CCC#CC#CC=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356556686	KMCLOJYUKASTFN-LMLQULGWSA-N	354.355	-1.681	30	1	FAEF	
COc1ccc2c(c1)O[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)C(=O)N2O	13481681	WTGXAWKVZMQEDA-LXAZIXBXSA-N	373.314	-2.048	30	1	FAEF	in-man,metabolite
CC(=O)N[C@H](C=O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O	40164478	YBWAUUBLHOFOPK-QZXODUEWSA-N	367.351	-4.383	30	1	FAEF	in-man
N#Cc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12	1857551813	HUZISIMTERHADL-IOSLPCCCSA-N	371.335	-2.881	30	1	FAEF	
OC[C@H]1O[C@@H](NC(=S)N/N=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O	64426487	QWGDGYDWAFWBHA-ARDSGTFASA-N	357.388	-2.010	30	1	FAEF	in-vitro
C/C(=N/NC(=S)N(C)C[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)c1ccccn1	135936059	OWZXXMXWRVFMMX-ZOBJVINHSA-N	372.447	-1.952	30	1	FAEF	
COC1=CC(=O)N(C)[C@H](O)[C@@]1(C#N)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097520	QZRKNNXRNBTODR-GTWOVLOQSA-N	360.319	-3.614	30	1	FAEF	in-vitro
CCN(CCO)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29554666	IJFSSGKKDQRZSI-FIQHERPVSA-N	357.411	-1.915	30	1	FAEF	
Cc1c(C#N)c(N)n([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(=S)c1C#N	105530852	RKSOEBDZHXLQPS-ATFQUMLSSA-N	352.372	-1.176	30	1	FAEF	
CC(=O)N[C@@H](C(=O)N1CCSCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560263	BDSRBHWIGUHRNH-NOOOWODRSA-N	371.463	-1.181	30	1	FAEF	
O=C[C@@]1(C=CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC[C@H](CO)C[C@@H]1O	2356421531	NELMAQVIHPLRNA-CYYXROCQSA-N	362.375	-2.345	30	1	FAEF	
CNC(=O)OC[C@@H]1C2=C(C(=O)C(C)=C(N)C2=O)N2C[C@@H]3[C@@H](N3C)[C@]12OC	299816587	HDNPUSAWWBZZNX-BEROEZBWSA-N	362.386	-1.048	30	1	FAEF	
O=c1[nH]c(=O)n([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)cc1C#CCO	28771378	SUAVDNSMMJUXNU-OPRDCNLKSA-N	362.231	-2.362	30	1	FAEF	
C=C(CC[C@H](O)C(C)(C)O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	70455374	KCAYCKZTNBMWEB-JZZPARLMSA-N	366.407	-2.368	30	1	FAEF	biogenic,in-vitro
C=C[C@H](C#CC#CCCC(=O)OC)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14447604	AVPBONMPAMZUKG-GCPWGDDRSA-N	354.355	-1.683	30	1	FAEF	endogenous,in-man
C[C@@]12O[C@H]1[C@H](O)[C@@]1(O)C=CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)O[C@@H]3CO)[C@@H]21	2356440784	QGRWMBOYPUQYLB-VIWRCNKXSA-N	362.331	-3.448	30	1	FAEF	
O=C(O[C@@H]1CNC[C@H]1F)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168658	VRYKBCSBUNKFHW-LURQLKTLSA-N	353.328	-1.158	30	1	FAEF	
C=CC=C[C@H](O)[C@H](C#CC#CC=CC)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356415254	FQHXNHVIGAESNB-RUOITVIXSA-N	364.394	-1.143	30	1	FAEF	
O=C1N/C(=N/N=C/[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C\c1c[nH]c2ccccc12	195509126	QAZMJYCKHLEVNN-MSGGJWBKSA-N	373.369	-1.355	30	1	FAEF	
CC(=O)N[C@@H](C=O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	12496623	YBWAUUBLHOFOPK-MFLCAPIPSA-N	367.351	-4.383	30	1	FAEF	endogenous,in-vitro
OCC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]3O[C@H]3[C@@H](O)[C@H]12	2356561511	GLWQPCVQIMBHJQ-WWTBBKSQSA-N	362.331	-3.590	30	1	FAEF	
O=C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O	2356441694	BHXRSIHHJCGSEY-GAROCXPTSA-N	356.280	-5.462	30	1	FAEF	
CC=CC#CC#CC#CC=C[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356445583	GVEFPLKPRUFLAG-UDFCFZJOSA-N	362.378	-1.694	30	1	FAEF