smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C=C[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	6363128	JJJCGQKXGIRXKN-YIZRAAEISA-N	347.393	-1.261	30	1	EAEF	in-vivo
COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@](O)(CO)C/C1=N\CC(=O)O	238750858	AWCCBAPDJMUZOK-NEYUXJRWSA-N	346.336	-1.689	30	1	EAEF	
C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)O)NC2=O	13555314	UMNGTXHUAYDLSV-KNDHEWATSA-N	331.325	-2.973	30	1	EAEF	
CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@@H]2CC(=O)ON	100789522	SHHLNBHFDRJNDH-GNLYSQRTSA-N	334.332	-2.251	30	1	EAEF	
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	2356606628	XAVVYCXXDSHXNS-BBBNVXSOSA-N	326.298	-4.527	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	256003597	UBTOEGCOMHAXGV-RBXNLRHTSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
O=C1[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)Oc2ccccc2N1O	2356329815	MDURBJSVWZOREE-KQAFNVIJSA-N	327.289	-1.988	30	1	EAEF	
CC1(C)CC(=O)C=C(CO)[C@@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356499808	KOMHTYYQRGPWLA-DEPYFDJDSA-N	346.376	-1.663	30	1	EAEF	
O=C1[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1O	2356329817	MDURBJSVWZOREE-YERPJTIDSA-N	327.289	-1.988	30	1	EAEF	
CC(=O)N[C@@H](C(=O)N1CCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29558599	OZXOXSKHHIGIKG-XWLWVQCSSA-N	325.369	-1.524	30	1	EAEF	
C[C@@]12COC(=O)[C@]1(O)[C@@H]1C[C@@]3([C@@H](O)C(=O)O1)[C@]2(O)C[C@@H]1O[C@@]13C	238777483	XVTUVYDLNDXGDX-IPSFCHQMSA-N	326.301	-1.751	30	1	EAEF	
COc1ccc([C@H](C#N)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O	238778656	PMSNJDIDVNYJRJ-MZHQWRCYSA-N	341.316	-1.218	30	1	EAEF	
C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	257403602	DDQFHDNWZKJNLC-BCTIZHQOSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
CO[C@H]1[C@@H](C(=O)O)O[C@H](O[C@H](C=O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@@H]1O	2356500674	ZDDGWONHTPYERI-XEVTXJAWSA-N	340.281	-4.169	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257449480	IVWJMPAYYVHQPT-HRMUOVSQSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
CC1=C(CO)C(C)(C)C=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1=O	238776914	YQTJCDJCMPVAJX-TVKJYDDYSA-N	344.360	-1.396	30	1	EAEF	
O=C(O[C@H]1CCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168648	FGNBHTVFAOCZLQ-VGMNWLOBSA-N	335.338	-1.106	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@+]1C[C@@H](O)[C@@H](O)[C@@H]1CO	169366354	SOWRVDSZMRPKRG-LHGRBOJISA-O	335.376	-3.758	30	1	EAEF	
C=C[C@@](C)(O)CCC=C(C)C(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2356413547	CTSFPRLVGFROJO-BEKRQIFDSA-N	346.376	-1.007	30	1	EAEF	
CC(=O)N[C@H](C(=O)NC(C)C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560188	IOCVQVIUFPSTLP-RCWTZXSCSA-N	327.385	-1.232	30	1	EAEF	
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@H]2[C@@H](O)[C@@H]1O	2356450302	NZUIJGRMABSDPS-HDFMDOACSA-N	346.332	-2.803	30	1	EAEF	
N/C(=N\O)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	48998662	JQTQKDBBAQRJHW-BBBNYMBOSA-N	325.285	-2.886	30	1	EAEF	
C=C[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2COCC[C@@H]21	2356669324	XPMOQRHVZJDUKK-WGKVNLIUSA-N	344.360	-1.118	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	13551879	DKXNBNKWCZZMJT-FYAGEWNPSA-N	342.297	-5.555	30	1	EAEF	
C#Cc1cn([C@@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	28770944	AQSXPZRJLDMJIN-YIZRAAEISA-N	332.205	-1.724	30	1	EAEF	
CC=CC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)=C1C(=O)CO[C@H]1CO	2356722766	PFKWBPMZMDYQSI-MPMBALMWSA-N	330.333	-1.379	30	1	EAEF	
CON=C1C=C[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)S1	2356330743	ACTUTXLTEUKWIN-ZMVMYLOUSA-N	337.350	-2.247	30	1	EAEF	
COc1cc(O)c(CC#N)cc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356581167	NOXKPXFTOIKDOD-SEBNEYGDSA-N	341.316	-1.354	30	1	EAEF	
CO/N=C(/C(=O)N[C@H]1CN(S(=O)(=O)O)C1=O)c1csc(N)n1	26566587	SBWCNJUQJMGRGL-LIVZQFSNSA-N	349.350	-1.794	30	1	EAEF	
CO[C@@]12[C@@H](CC(=O)ON)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12	100788291	AWENTBWFTRBBQH-YNYAUTNHSA-N	334.332	-1.940	30	1	EAEF	
C#CCCCO/N=C1\[C@@H]2CCn3c(=O)n(C)c(=O)n3[C@H]2[C@H](O)[C@H]2O[C@H]12	102694186	ZIDRLRLRAMXJBU-RAGQEMJESA-N	348.359	-1.163	30	1	EAEF	
C[C@H](Cn1cnc2c(N=C(N)N)nc(N)nc21)OCP(=O)(O)O	29123087	SWXLOIHTYGQDFM-RXMQYKEDSA-N	344.272	-1.146	30	1	EAEF	
NCCONC(=O)[C@@H]1CC[C@@H](NOS(=O)(=O)O)CN1C=O	263621307	YTAWXXHGLPATIN-SFYZADRCSA-N	326.331	-2.694	30	1	EAEF	in-vitro
CC(=O)N[C@@H](C(=O)NC(C)C)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560189	IOCVQVIUFPSTLP-VPOLOUISSA-N	327.385	-1.232	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N/[C@@H](C(=O)O)[C@H](C)O	14677361	VIZAVBQHHMQOQF-GKNQCEMBSA-N	346.336	-1.689	30	1	EAEF	in-vitro
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@@H](O)[C@@H]1CO	28875118	SOWRVDSZMRPKRG-VQDAENBNSA-O	335.376	-3.758	30	1	EAEF	
C=CC[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](O)CO)O1	95556371	IUGVDRFIVSPVGO-NSPKLCQLSA-N	333.337	-2.246	30	1	EAEF	
C=CC[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](O)CO)O1	95607507	IUGVDRFIVSPVGO-BOLQPFPPSA-N	333.337	-2.246	30	1	EAEF	
N[C@@H](CCC(=O)N[C@H](CS)C(=O)N[C@H](CO)C(=O)O)C(=O)O	85808361	QWHVIVGONDEFNH-RRKCRQDMSA-N	337.354	-2.845	30	1	EAEF	in-man
C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1	86035638	DDQFHDNWZKJNLC-YSHOZOJASA-N	348.392	-1.729	30	1	EAEF	in-man
C=C[C@](C)(O)CCC=C(CO)C(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@@H](O)[C@@H]1O	2356475481	FFLUVDOEJBDSSD-YZGPFVSISA-N	346.376	-1.007	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cccc21	14492412	AAYYJBZZHJNMEO-YPUPRDRTSA-N	336.296	-1.200	30	1	EAEF	endogenous,in-man
NS(=O)(=O)/N=C(\O)OC[C@@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)O1	28526581	FKWNQAVRCQNIBQ-XPUUQOCRSA-N	332.294	-1.876	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@H]1CCNC1)[C@H]1CN/C(=N/C(N)=O)N=C1O	66157137	KMLRRSMCDBXGII-UTLUCORTSA-N	339.400	-1.475	30	1	EAEF	
C=C(C)[C@@H]1[C@H]2O[C@H]3[C@H](O)[C@]4(O)CO[C@H]2[C@@]4(C)[C@@]3(O)[C@@H]1C(=O)OC	2356458092	FUAZBKOBLHYLPH-KILPPBAQSA-N	326.345	-1.009	30	1	EAEF	
CC[C@@H](C)[C@H](NC(=O)[C@@H](S)[C@H](N)CCS(=O)(=O)O)C(N)=O	27561518	TVORPGXVIXEMJD-HXFLIBJXSA-N	341.455	-1.094	30	1	EAEF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1[C@H]2N1C	238777624	HRHKSTOGXBBQCB-BIRQNOIJSA-N	348.359	-1.309	30	1	EAEF	
C#CCSc1nc(N)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	5498545	DOQVBNTWSDZPPA-UKHPNBTGSA-N	337.361	-1.255	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O	230162874	HXMZQSGMNGTGGB-MIQQLIBVSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
CC[C@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	34285749	UATNWSMKVYUEOE-CIUDSAMLSA-N	349.409	-1.037	30	1	EAEF	in-vitro
NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCN/C(N)=N/[N+](=O)[O-])CN1	13531446	IUFRDGFKAVLPFZ-CSMHCCOUSA-N	330.349	-3.478	30	1	EAEF	in-vivo
CC1=CC(=O)[C@H]2C[C@]1(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@]2(C)CO	2356511355	HDRABVWFLVVWRI-KHYNSYFWSA-N	344.360	-1.911	30	1	EAEF	
C[C@H](NC(=O)[C@H](Cc1ccccc1)C(=O)NO)C(=O)NCC(N)=O	29344418	WZTIOICGTSYWGW-ONGXEEELSA-N	336.348	-1.543	30	1	EAEF	
CC(C)(O)[C@]1(O)[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@@H]3C(=O)O[C@H]2[C@@]31C	2356647394	LHNKBXRFNPMIBR-ITPBAECVSA-N	326.301	-1.896	30	1	EAEF	
CCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)nc1N	95591177	CRJGPRNVXWJPHD-YGEZULPYSA-N	339.348	-2.051	30	1	EAEF	
NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CS)C(N)=O	49019792	QXJWJGNOGIFLND-YUMQZZPRSA-N	334.398	-2.025	30	1	EAEF	
O=C1[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	257507111	OUSLYTBGQGKTME-YASUDPGPSA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	261498884	WFLGVJKIXANXQV-TYEURLQUSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@]3C)[C@]1(O)[C@@H]2CC(=O)ON	1857535993	SHHLNBHFDRJNDH-MTXDSASTSA-N	334.332	-2.251	30	1	EAEF	
OC[C@@H](OS(O)(O)O)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	103557011	NYHLFUZUGSMDBR-HGSKAGTHSA-O	337.392	-2.422	30	1	EAEF	in-vitro
C[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	137600320	QMBUXWAVZQWFED-ZHHXUKJJSA-N	346.332	-2.563	30	1	EAEF	
CCCN(C)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@@H]1NC(C)=O	28091013	QPJWMZVTNXFTKV-INTQDDNPSA-N	341.368	-1.631	30	1	EAEF	
N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)C1=O)C(=O)O	30729440	UMYDVEVERVKIFT-CSMHCCOUSA-N	338.272	-1.732	30	1	EAEF	in-vitro
O=C(O[C@@H]1CNOC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168661	DHXJEQFETGTRCK-PRJMDXOYSA-N	337.310	-1.564	30	1	EAEF	
O=c1[nH]c(=O)n([C@]2(S)CO[C@H](COP(=O)(O)O)O2)cc1F	26730950	YYAYBDFFCLGAEU-YLWLKBPMSA-N	344.213	-1.302	30	1	EAEF	
NS(=O)(=O)/N=C(\O)OC[C@H]1C=C[C@@H](n2ccc(=O)[nH]c2=O)O1	28526580	FKWNQAVRCQNIBQ-SVRRBLITSA-N	332.294	-1.876	30	1	EAEF	
CC(=O)C1=C(N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@H]2NC1=O	299847645	KAYBJRADAGCVDB-HOCLYGCPSA-N	334.376	-1.372	30	1	EAEF	
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@H]2[C@H](O)[C@@H]1O	2356450301	NZUIJGRMABSDPS-GDURIBLFSA-N	346.332	-2.803	30	1	EAEF	
CC1=CC[C@H]([C@@](C)(O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1=O	2356521378	VHKVJYPHKNZCFD-XWIVJFQBSA-N	346.376	-1.521	30	1	EAEF	
CCCN(C)C(=O)[C@@H]1OC(C(=O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O	6380100	QPJWMZVTNXFTKV-JMJZKYOTSA-N	341.368	-1.631	30	1	EAEF	in-vivo
C=CC[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	95556369	IUGVDRFIVSPVGO-DZXXBYIOSA-N	333.337	-2.246	30	1	EAEF	
C[C@](O)(CO)[C@@H]1[C@@H]2OC(=O)[C@H]1[C@]1(O)C[C@H]3O[C@]34C(=O)O[C@H]2[C@@]41C	95910687	CVKWZMKSOLCEOF-OXYMYTTGSA-N	326.301	-1.895	30	1	EAEF	biogenic,in-vitro
CCCCCO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	203418242	YLCBOXGFJLJCND-OTFFFVETSA-N	325.447	-1.370	30	1	EAEF	
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	2356307254	QHBKKIDYKQWITD-SLGCQZDDSA-N	340.281	-4.435	30	1	EAEF	
COC1=CC(=O)C=C(OC)C1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356515936	GEVUIAISJIZTQQ-GHMOJZLGSA-N	332.305	-2.185	30	1	EAEF	
OC[C@H](OCc1ccccc1)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	71333001	PDSXGAMSMWPKSK-QVBFFCKMSA-N	345.437	-1.360	30	1	EAEF	
O=C1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	2356515429	OUSLYTBGQGKTME-DMDLKNQCSA-N	343.288	-2.056	30	1	EAEF	
COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@@](O)(CO)CC1=NCC(=O)O	2356417432	AWCCBAPDJMUZOK-XOIJKARMSA-N	346.336	-1.689	30	1	EAEF	
C=C[C@H](O)C#CC#CCC[C@@H](O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238785145	AXGGXCIIAJXIPY-YJEUUXNWSA-N	342.344	-2.545	30	1	EAEF	
NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CS)C(N)=O	49033210	UCGUUEXVEWXPNV-IUCAKERBSA-N	347.441	-2.234	30	1	EAEF	
C=C[C@H](CO)[C@@H](CCO)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356775462	LXZLWLTYJBHIOS-UQAQGZBZSA-N	336.381	-2.014	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@H](O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O	26484994	PYGRXKCEJUSDAC-YIZRAAEISA-N	343.388	-3.011	30	1	EAEF	
CO[C@@H]1O[C@H](Cn2cc(COC[C@H]3CO3)nn2)[C@H](O)[C@H](O)[C@H]1O	49071841	UHBRFTPCFFUQFO-LIBFEPKXSA-N	331.325	-2.353	30	1	EAEF	
O=C1C=C[C@](O)(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)C1	2356468318	XNAJLGDVEHBLFR-BKZLMLJWSA-N	334.321	-3.186	30	1	EAEF	
CC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1N	48015867	JMXAJBGSEDAXSC-IVZWLZJFSA-N	345.248	-1.045	30	1	EAEF	in-vitro
COC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21	263614753	TYJUHPLDNFWIRI-OCDRQSPJSA-N	348.335	-1.005	30	1	EAEF	in-vitro
CN(C(=O)C[C@@H](N)C[C@@H](O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26484975	PYGRXKCEJUSDAC-XHNCKOQMSA-N	343.388	-3.011	30	1	EAEF	
N#CCCCC#Cc1c(C(N)=O)ncn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49019887	HWAYRHGRLWEYOQ-OPQSFPLASA-N	334.332	-1.361	30	1	EAEF	
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)C=O	2356312989	PHURBDDXHHXSRV-CRZAKOSJSA-N	340.281	-4.435	30	1	EAEF	
C=C1[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@]2(O)C[C@H]1C2(C)C	2356288115	WVEXFNOOUNMXMC-AYUZZZIASA-N	330.377	-1.091	30	1	EAEF	
N[C@H](C(=O)NO)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	35274041	BMYDQORBNYZFKN-CYBMUJFWSA-N	336.348	-1.108	30	1	EAEF	
C#CCNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCC(=O)N1	169317089	LRHNSQUXZONWDX-RYUDHWBXSA-N	336.392	-1.339	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@@](O)(C(=O)C=Cc1ccc(O)c(O)c1)[C@H](O)CO	2356854904	QXFVPIMQXCNEPV-PMOUVXMZSA-N	342.300	-2.315	30	1	EAEF	
Nc1nc(C#CCCO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	26509399	OQUVZIRDVQRJQH-VTEVMWQTSA-N	335.320	-2.246	30	1	EAEF	
CN(C)/C=N/c1cc2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	169324379	VWXJCEBGUTZCAD-MUAAAZGKSA-N	337.336	-1.443	30	1	EAEF	
C[S@](=O)CCCC(=NO)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356340313	LWGGAXGVBFJDJE-FFFGLZAQSA-N	343.423	-1.534	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1	40540430	QGTUTPLFQHSZPS-PMJJJPILSA-N	328.277	-1.255	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	256003595	UBTOEGCOMHAXGV-DHMQJVCGSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
NC(=NO)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c2ncnc(NO)c12	256832562	VDRNYDUPTSTUEE-ADVRJHOBSA-N	340.296	-2.062	30	1	EAEF	
CC=CC#CC#C[C@@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356522230	ZSJISDBQQUKAGV-RDGWLKQMSA-N	326.345	-1.863	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@H](C(=O)O)[C@H](C)O	2356432258	VIZAVBQHHMQOQF-XOIJKARMSA-N	346.336	-1.689	30	1	EAEF	
COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2356431789	FOYFJRGETORFTE-ZJHHDJRBSA-N	332.265	-3.999	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@]3(O)[C@H](O)[C@@H]4O[C@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356566695	PWZIGDMWDRKORM-WSSUGJHDSA-N	348.304	-3.838	30	1	EAEF	
O=C1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1O	95910603	OUSLYTBGQGKTME-VAMHBNGJSA-N	343.288	-2.056	30	1	EAEF	biogenic,in-vitro
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@H](CO)C(=O)O	2356547042	WXEQFJUHQIGKNG-NOZJJQNGSA-N	332.309	-2.078	30	1	EAEF	
C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	2356694713	DDQFHDNWZKJNLC-QVFPMHOFSA-N	348.392	-1.729	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(O)[C@H]3[C@@H](CN21)N3C	238766097	UZUUQCBCWDBYCG-ZKEIEKQFSA-N	349.343	-1.275	30	1	EAEF	
C[C@]12O[C@H]1[C@@H](O)[C@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	255205792	DINMMVOHYZBIQX-PYSQEZRASA-N	346.332	-2.563	30	1	EAEF	
C[C@H](O)[C@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356313317	WHLKVYNTAYQTFO-ULUQPUQLSA-N	326.298	-4.527	30	1	EAEF	
COc1ccc([C@@H](C#N)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O	2356432103	PMSNJDIDVNYJRJ-JEWKUQAESA-N	341.316	-1.218	30	1	EAEF	
N#C[C@]1(C(=O)O)[C@H](O)[C@H](CO)O[C@H](n2ccc(=N)nc2O)[C@@H]1O	2356827959	IQYKIDQWYXWWFL-YKQINGLZSA-N	326.265	-2.726	30	1	EAEF	
CO/N=C(\C(=O)N[C@@H]1CN(S(=O)(=O)O)C1=O)c1csc(N)n1	26501259	SBWCNJUQJMGRGL-OIHPDLNBSA-N	349.350	-1.794	30	1	EAEF	
OC/C=C/C#CC#C[C@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95909790	TZGLJFHSHFYCQU-OHIHAZEWSA-N	342.344	-2.891	30	1	EAEF	biogenic,in-vitro
C=CC/C(=N/S(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238733260	YHOBVOQYONIVDM-GLVDENFASA-N	343.379	-1.703	30	1	EAEF	
COc1cc(O)c(CC#N)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356581166	NOXKPXFTOIKDOD-QKGCVVFFSA-N	341.316	-1.354	30	1	EAEF	
NC(=O)c1nnn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C#Cc1ccccc1	72176655	MSKLUFSDQZDCCZ-XKVFNRALSA-N	344.327	-1.612	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@@H](O)[C@@H]1CO	169300914	SOWRVDSZMRPKRG-RFTVGGEGSA-O	335.376	-3.758	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@@](O)(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H](O)CO	2356854902	QXFVPIMQXCNEPV-CYUUQNCZSA-N	342.300	-2.315	30	1	EAEF	
N/C(=N\O)c1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	48998660	JQTQKDBBAQRJHW-LZBJJOGQSA-N	325.285	-2.886	30	1	EAEF	
C#CCN(CO)c1nc(N(CO)CC#C)nc(N(CO)CC#C)n1	3791331	TWGYYCJNRONKNL-UHFFFAOYSA-N	330.348	-1.960	30	1	EAEF	
NC(N)=NCCC[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O	207193358	DLFIWFDONDYZKI-YIQYQHPQSA-N	336.345	-4.116	30	1	EAEF	endogenous,in-man
CC1(C)CC(=O)[C@@H]2O[C@]2(C)[C@@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238755847	OHLHJLGLXOHROA-GSGMVKBXSA-N	346.376	-1.424	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@@H](O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O	26484982	PYGRXKCEJUSDAC-CIUDSAMLSA-N	343.388	-3.011	30	1	EAEF	
O=C(/C=C/c1ccc(CO)o1)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	72173125	ATRFWQUYEHZPFP-CBDXUWAUSA-N	328.317	-1.413	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc21	2356579461	AAYYJBZZHJNMEO-MBEZOWKRSA-N	336.296	-1.200	30	1	EAEF	
C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H]1O	261498885	WFLGVJKIXANXQV-XZIADSGLSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
O=C(C=Cc1ccc(O)cc1)[C@@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@]1(O)C(=O)O	2356723480	KMFIWPXZGWEWSU-SQCNAZHOSA-N	338.312	-1.107	30	1	EAEF	
NC1=CS(=O)(=O)O[C@]12[C@@H](CO)O[C@@H](n1ccc(=O)[nH]c1=O)[C@@H]2O	140708743	YQIJJMWYEVHPQN-YNCDLQQUSA-N	347.305	-3.314	30	1	EAEF	
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)C=O	2356312990	PHURBDDXHHXSRV-OWGVAZOESA-N	340.281	-4.435	30	1	EAEF	
CO[C@H]([C@@H](O)[C@H](C)O)[C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356690987	SSUDMFCVNSOFTC-SQHKABNZSA-N	340.325	-3.873	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	28523464	QGTUTPLFQHSZPS-UQGZEVSQSA-N	328.277	-1.255	30	1	EAEF	
C[C@@H](O[C@H]([C@@H](N)C=O)[C@H](O)[C@H](O)COP(=O)(O)O)C(=O)O	238778314	ADPNCGPHHZFMFA-OZRXBMAMSA-N	331.214	-2.798	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@H]2O[C@@H]2[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]1O	255207566	DRXHHSWFGHCUGX-CJMAEFJJSA-N	332.305	-2.953	30	1	EAEF	
C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NOC)NC2=O	101177900	WLAWYSHAFCVRDB-HWNAMQAFSA-N	331.325	-3.143	30	1	EAEF	
COc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@@H](O)[C@](C)(O)[C@H](O)[C@H]1O	103241682	MJWABJMLXRFZIX-JJXSEGSLSA-N	336.296	-1.076	30	1	EAEF	
CC1=CC(=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	95919022	JTUGHXNNGQUKSQ-ZBXVEZMXSA-N	344.316	-2.451	30	1	EAEF	biogenic,in-vitro
O=C(NO)C(=O)NCC[C@@H](NC(=O)C(=O)NO)C1CCCCC1	28006542	UHYUCCHEBUTXHO-SECBINFHSA-N	330.341	-1.431	30	1	EAEF	
CC1(C)O[C@H]2[C@H](O1)[C@@H](C/N=C(\N)N=C(N)N)O[C@@H]1OC(C)(C)O[C@H]21	40441867	QEVWAIQRFHKFGK-HOTMZDKISA-N	343.384	-1.029	30	1	EAEF	
C[C@@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@@H]23	253839255	HYJVJRUXRDRLNM-FEOCSFRWSA-N	341.360	-1.181	30	3	EAEF	
CC(=O)N[C@H](C(=O)N1CCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560242	HGKXDQMONGAZJI-RHYQMDGZSA-N	339.396	-1.134	30	1	EAEF	
C=C1c2c(ccoc2=O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O	238742463	LDXOVBQGKFTZBZ-HQOSZKHYSA-N	342.300	-2.115	30	1	EAEF	
C=C[C@H](C#CC#CCCCO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356428575	PYTKUZJMLSAAIK-VJQRDGCPSA-N	326.345	-1.863	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H]1O	2356455411	RZJPFBHCQVOHKY-GVYSDAGYSA-N	342.297	-5.555	30	1	EAEF	
O=C(C=Cc1ccc(O)cc1)[C@@H]1[C@H](O)[C@H](O)[C@H](O)C[C@]1(O)C(=O)O	2356723478	KMFIWPXZGWEWSU-AQDIXCGQSA-N	338.312	-1.107	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NC(=O)C3CC3)CN21	2356855820	RTNFAUQBGSZEME-MCIONIFRSA-N	332.404	-1.017	30	1	EAEF	
Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@H](O)CO)NC2=O)cc1	5832195	CXAGJOLFYDCXSS-LIJSJDRISA-N	348.359	-1.528	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	28524221	FJGGJNPEAKCGMF-OYDZMQIISA-N	326.349	-1.097	30	1	EAEF	
CC(C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NO	45369446	CEUNNLWAKWOBCW-YUMQZZPRSA-N	333.349	-1.954	30	1	EAEF	
NC(=O)[C@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])CN1	13559331	IUFRDGFKAVLPFZ-GJMOJQLCSA-N	330.349	-3.478	30	1	EAEF	
CC(C)(O)[C@]1(O)[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@@H]3C(=O)O[C@@H]2[C@]31C	2356647393	LHNKBXRFNPMIBR-HXXFUJJBSA-N	326.301	-1.896	30	1	EAEF	
C#CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	105507970	DOQVBNTWSDZPPA-IQEPQDSISA-N	337.361	-1.255	30	1	EAEF	
OC[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1OC=C[C@@H]2[C@H](O)[C@@H]3O[C@H]3[C@H]12	2356494259	XCHBXOJVNFFCJZ-STMCPUIMSA-N	346.332	-3.318	30	1	EAEF	
CN(C=O)C1=C(N(C)C=O)C(N(C)C=O)=C(N(C)C=O)C(=O)C1=O	6734213	CFADZRKLUCKBLS-UHFFFAOYSA-N	336.304	-2.086	30	1	EAEF	
Cn1c[n+](CC(=O)c2ccc(O)c(C(N)=O)c2)c2nc(N)[nH]c(=O)c21	95921274	RSZNPUKMOKHZOH-UHFFFAOYSA-O	343.323	-1.181	30	1	EAEF	in-vitro
C=C1[C@@H](O)C[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	238762510	WGRQLYJSRDDYHN-JVGWRVCISA-N	330.333	-1.774	30	1	EAEF	
CC1(C)O[C@H]2O[C@@H]3[C@@H](C/N=C(\N)N=C(N)N)OC(C)(C)O[C@H]3[C@H]2O1	26256251	OPYDLNQHQNFLKU-VVULQXIFSA-N	343.384	-1.029	30	1	EAEF	
N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)[C@@H]1O)C(=O)O	85588156	ARIITYRKDPOGKE-CHIQAWFVSA-N	340.288	-1.940	30	1	EAEF	in-vitro
N[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	222017204	BPLPPYASQZMMEI-KDXUFGMBSA-N	349.369	-2.595	30	1	EAEF	
C=C[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C2COCC[C@@H]21	2356669325	XPMOQRHVZJDUKK-WPUMOJKTSA-N	344.360	-1.118	30	1	EAEF	
N[C@@H](C(=O)NO)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	35274064	JXKBMXORIWWTPP-LBPRGKRZSA-N	347.375	-1.226	30	1	EAEF	
C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)O)NC2=O	100766987	UMNGTXHUAYDLSV-HWNAMQAFSA-N	331.325	-2.973	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)COC)CN12	2356836300	KZMPCVPBLBSGHP-YNEHKIRRSA-N	336.392	-1.780	30	1	EAEF	
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CS)C(N)=O	49017807	LXGHDLRBHGKZFC-IUCAKERBSA-N	344.441	-1.859	30	1	EAEF	
N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CC(=O)NO)C1=O	73224314	GQDDAOPNVIIXCD-QWRGUYRKSA-N	334.332	-1.695	30	1	EAEF	
C[C@]12O[C@H]1C[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	95911563	RUROMUOJORASTD-VOAFIZDZSA-N	346.332	-2.419	30	1	EAEF	biogenic,in-vitro
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	28525615	XTLSZBMERPGKOO-JKDFJRTMSA-N	328.277	-1.255	30	1	EAEF	
COc1ccc(CC#N)cc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356419259	LPIOCMVRCPARCW-QKGCVVFFSA-N	325.317	-1.060	30	1	EAEF	
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	58638465	JWOANRNVWBCYDC-RRTSSKPOSA-N	345.390	-5.502	30	1	EAEF	in-vivo
COC1=CC(=O)C=C(OC)C1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356515937	GEVUIAISJIZTQQ-MOWSAHLDSA-N	332.305	-2.185	30	1	EAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	28525617	XTLSZBMERPGKOO-CCVNSYJLSA-N	328.277	-1.255	30	1	EAEF	
OCC=CC#CC#C[C@@H](O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356546863	TZGLJFHSHFYCQU-VJQRDGCPSA-N	342.344	-2.891	30	1	EAEF	
C=C1c2c(ccoc2=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2356660348	LDXOVBQGKFTZBZ-KJCLABKISA-N	342.300	-2.115	30	1	EAEF	
N[C@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)C1	96168608	DNNRMFBYVLVTMA-YIZRAAEISA-N	334.354	-1.451	30	1	EAEF	
CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3N[C@H]3CN21	195499880	QMWMHVONMWSXDM-HHBNPUPASA-N	348.359	-1.391	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@H](C)C(=O)O	2356797669	OGXNUIXDQMTPKX-LQHYUQAISA-N	332.309	-2.079	30	1	EAEF	
COc1ccc([C@H](C#N)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O	2356432102	PMSNJDIDVNYJRJ-DEPYFDJDSA-N	341.316	-1.218	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@@H](CO)C(=O)O	14611894	WXEQFJUHQIGKNG-ZTMZFYTDSA-N	332.309	-2.078	30	1	EAEF	endogenous,in-man
CO/N=C(\C(=O)Nn1cn[n+](CC(=O)O)c1)c1csc(N)n1	17223842	MCZOEYKICWNUQW-NVNXTCNLSA-O	326.318	-1.585	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	40752578	FJGGJNPEAKCGMF-ZRORSCDMSA-N	326.349	-1.097	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(/C)C(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14448113	IVWJMPAYYVHQPT-JBVRMJIPSA-N	346.376	-1.007	30	1	EAEF	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)cc1	169352364	XTLSZBMERPGKOO-XKCJOCLGSA-N	328.277	-1.255	30	1	EAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	238747920	JNOBKBGUTMPMPS-XDQOZGBTSA-N	346.292	-3.657	30	1	EAEF	
C[C@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356313316	WHLKVYNTAYQTFO-UGKWGAIASA-N	326.298	-4.527	30	1	EAEF	
O=C(OC1CNNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	220105336	YATSDKWECXNFKJ-XPUUQOCRSA-N	336.326	-1.991	30	1	EAEF	
C[C@@]12O[C@@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356501532	DINMMVOHYZBIQX-IGJQAOKRSA-N	346.332	-2.563	30	1	EAEF	
CC(=O)N[C@H](C(=O)N1CCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560240	OZXOXSKHHIGIKG-RCWTZXSCSA-N	325.369	-1.524	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C=C(N)C3=O)N1C[C@H]1[C@@H]2[N@@]1C	1857627520	ALVMKKZPGOMDDA-PIUDPYJUSA-N	334.332	-1.285	30	1	EAEF	
CO[C@@H]1CC(=O)C=C[C@]1(O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356471776	ZCRNWBJHIJCNDA-UQFQIWMKSA-N	348.348	-2.532	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCCNC(=N)N)C1CNC(=NC(N)=O)NC1	66075041	CWESHIQMHSWEES-QMMMGPOBSA-N	341.420	-2.578	30	1	EAEF	
N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@H]2C(=O)O)C(=O)[C@H]1O)C(=O)O	100192543	ARIITYRKDPOGKE-VEVYYDQMSA-N	340.288	-1.940	30	1	EAEF	in-vitro
COc1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O	40548117	PUBKMQWDLGZHAJ-XKLYWOLUSA-N	329.305	-1.449	30	1	EAEF	
C=C[C@](O)(CO)CCC=C(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456817	ROZJFFRHACNYHF-ZTYXSZCMSA-N	348.392	-1.561	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@H](O)[C@H](O)[C@@H]1CO	40632223	SOWRVDSZMRPKRG-BPMQCMOUSA-O	335.376	-3.758	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)[N@@]3C	1857535991	SEDXBOADINLGFR-BPNJMTGSSA-N	349.343	-1.564	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(O)c1	28521902	WXJDKATXSOWLAC-VBMZAXNRSA-N	329.305	-1.449	30	1	EAEF	
C[C@@H]1O[C@H](O[C@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O	2356726081	WFLGVJKIXANXQV-WUJBLJFYSA-N	326.298	-4.527	30	1	EAEF	
O=C(C=Cc1ccc(O)cc1)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741662	ICCOBDHPGDDITK-LEOABGAYSA-N	340.328	-1.209	30	1	EAEF	
CN1C[C@H](NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])C[C@H]1C(N)=O	35064496	ZJHWTMVKXAJEHT-VGMNWLOBSA-N	344.376	-3.136	30	1	EAEF	
CC1=CC[C@@H]([C@@](C)(O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1=O	141566868	VHKVJYPHKNZCFD-QWIQOESASA-N	346.376	-1.521	30	1	EAEF	
O=c1[nH]c(=O)n([C@@]2(S)CO[C@H](COP(=O)(O)O)O2)cc1F	26730961	YYAYBDFFCLGAEU-XNCJUZBTSA-N	344.213	-1.302	30	1	EAEF	
O=[N+]([O-])c1ccc(/C(=N\O)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	96903690	WGWRHNUDRWUCKX-BZNQNGANSA-N	343.292	-1.880	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3C[C@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356737223	DHSHYQJABUIJDG-TVXOPSKNSA-N	346.332	-2.561	30	1	EAEF	
CC#CCCOc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1	49066441	URVQRCGJIKGUGN-AEHQLWAISA-N	349.347	-1.188	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@H]1CCNC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66157135	KMLRRSMCDBXGII-KXUCPTDWSA-N	339.400	-1.475	30	1	EAEF	
CO[C@H](CO)C1=C(N2CC2)C(=O)C([C@H](CO)OC)=C(N2CC2)C1=O	169320080	FKCYYDVPNWJUCZ-AOOOYVTPSA-N	338.360	-1.708	30	1	EAEF	
C[C@@H](O)[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=O	238765054	OWIFTNHCDDEBHR-AJARWYCESA-N	326.298	-4.527	30	1	EAEF	
COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@@](O)(CO)C/C1=N/CC(=O)O	238779587	AWCCBAPDJMUZOK-IMRRWBMLSA-N	346.336	-1.689	30	1	EAEF	
NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CS)C(N)=O	49016988	WPYSJWXNCNNAQQ-QWRGUYRKSA-N	347.485	-1.371	30	1	EAEF	
CN[C@@H](CCCCN)CC(=O)N(C)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66099112	QMDLDWGIELZCBH-VHSXEESVSA-N	341.416	-1.085	30	1	EAEF	
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	2356307252	QHBKKIDYKQWITD-DCUZODFNSA-N	340.281	-4.435	30	1	EAEF	
C[C@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	26376020	VDHYEXXQSBQMES-FJQQOZESSA-N	335.320	-2.248	30	1	EAEF	
CC(=O)N[C@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)CO	28094942	ARAIBEBZBOPLMB-FACSAILSSA-N	332.313	-3.786	30	1	EAEF	
CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C=O)CC1	2356467318	LXDQFZXPMQXZJM-DGTMBMJNSA-N	346.376	-1.331	30	1	EAEF	
[N-]=[N+]=Nc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]1O	71281595	MLGZXNOKGNRVRV-YXZULKJRSA-N	349.196	-1.725	30	1	EAEF	
C[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	2356369320	QMBUXWAVZQWFED-UCTMLERKSA-N	346.332	-2.563	30	1	EAEF	
O=C(C=Cc1ccc(O)c(O)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO	2356826006	HUXWBFFRUHXOBU-PMOUVXMZSA-N	342.300	-2.315	30	1	EAEF	
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1	28523776	DOSAKMAMRORHEC-PJFSLGNBSA-N	344.276	-1.549	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@@H](O)[C@@H](O)[C@@H]1CO	14689442	SOWRVDSZMRPKRG-IBBZIVRPSA-O	335.376	-3.758	30	1	EAEF	
O=C(/C=C/c1ccc(O)cc1)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	95098913	ICCOBDHPGDDITK-XRCNZUDPSA-N	340.328	-1.209	30	1	EAEF	biogenic,in-vitro
CN(C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])[C@@H](CCCN)C(N)=O	13809545	MOSLFQPVECZYJW-IUCAKERBSA-N	346.392	-2.759	30	1	EAEF	
Cc1cc(N)c2c(c1)C(=O)C[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)O2	587405922	YZXVHMVHNRSZBT-RJZRQDKASA-N	325.317	-1.445	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1O	40548119	PUBKMQWDLGZHAJ-ZYPJSYMJSA-N	329.305	-1.449	30	1	EAEF	
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)C=O	2356312992	PHURBDDXHHXSRV-XTRSFRCRSA-N	340.281	-4.435	30	1	EAEF	
COC1=C(C2=C(OC)C(=O)C(=O)N(C)C2=O)C(=O)N(C)C(=O)C1=O	238756849	KXNCBUQBOJFLGJ-UHFFFAOYSA-N	336.256	-2.077	30	1	EAEF	
O=C(NO)c1ccccc1O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356618408	RJAMCDTUOSNOFS-NKGMTQDZSA-N	329.261	-1.923	30	1	EAEF	
O=CC[C@@H](O)[C@H](O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CO	15206272	LCIOULREYSZZRU-JNLIVRPRSA-N	326.298	-4.525	30	1	EAEF	
NC1CCN(C(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)CC1	207063050	AEVFDHXLJVXHNF-UWVGGRQHSA-N	348.381	-1.061	30	1	EAEF	
C=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@]2(O)C[C@H]1C2(C)C	2356288116	WVEXFNOOUNMXMC-IKUFOLMQSA-N	330.377	-1.091	30	1	EAEF	
CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	26376011	DSFSFUSRPPCZQP-MYMXGEOPSA-N	349.347	-1.858	30	1	EAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3C[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	34353275	DHSHYQJABUIJDG-HXHBHVAVSA-N	346.332	-2.561	30	1	EAEF	biogenic,in-vitro
CC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CS)C(N)=O	48998697	WCDYAIGZWIXDRE-IUCAKERBSA-N	347.393	-1.395	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NC(=O)COC)CN21	15708395	KZMPCVPBLBSGHP-XQQFMLRXSA-N	336.392	-1.780	30	1	EAEF	biogenic
C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	100769821	WFLGVJKIXANXQV-NNWZRRJQSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1	169350392	QGTUTPLFQHSZPS-XKCJOCLGSA-N	328.277	-1.255	30	1	EAEF	
OC[C@@H]1O[C@H](O[C@@H]2OC=C[C@@]3(O)[C@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	255260134	PWZIGDMWDRKORM-TXIMUZCCSA-N	348.304	-3.838	30	1	EAEF	
CO[C@@H]([C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@@H](C)O	2356690986	SSUDMFCVNSOFTC-IIWBQLHZSA-N	340.325	-3.873	30	1	EAEF	
C=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@]2(O)C[C@H]1C2(C)C	2356288118	WVEXFNOOUNMXMC-VDIXFBBJSA-N	330.377	-1.091	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@+]1C[C@H](O)[C@@H](O)[C@H]1CO	195150266	SOWRVDSZMRPKRG-JKRUYFBGSA-O	335.376	-3.758	30	1	EAEF	
CO/N=C(/C(=O)N[C@H]1CN(NCC(=O)O)C1=O)c1csc(N)n1	29466942	WOHJNSKIAHVQNU-TUMNFUNFSA-N	342.337	-2.008	30	1	EAEF	
CO[C@@]12[C@@H](CC(=O)ON)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2[N@@]1C	1857627501	MYHPMWBOETVNMT-RXMKEWSPSA-N	348.359	-1.597	30	1	EAEF	
CCNC[C@H]1O[C@@H](n2cnc3c(N=C(N)N)ncnc32)[C@H](O)[C@@H]1O	29052415	UICFBMWXKSHXKU-WOUKDFQISA-N	336.356	-2.040	30	1	EAEF	
O=C(N[C@H]1CCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	96168565	DGAUUFHQTQVNOS-CIUDSAMLSA-N	334.354	-1.533	30	1	EAEF	
COC1=CC(=O)N[C@@H](O)[C@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356867700	WUVMCCRKWLRPJP-ASKWTCMOSA-N	346.292	-3.956	30	1	EAEF	
NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CS	49014350	FZOMAHRKQOUGKF-WDSKDSINSA-N	335.338	-2.289	30	1	EAEF	
CO[C@]12[C@H]3N[C@H]3CN1[C@@H]1C(=O)C(C)=C(N)C(=O)[C@@H]1[C@H]2COC(=N)O	1772601652	PCWNZPACMPENIE-CLFJACBUSA-N	336.348	-1.506	30	1	EAEF	
O=C(C=Cc1ccc(O)cc1)[C@@H]1[C@H](O)[C@H](O)[C@@H](O)C[C@@]1(O)C(=O)O	2356723477	KMFIWPXZGWEWSU-ADVQIIOHSA-N	338.312	-1.107	30	1	EAEF	
O=C(O[C@@H]1CCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207084295	FGNBHTVFAOCZLQ-YIZRAAEISA-N	335.338	-1.106	30	1	EAEF	
C[S@](=O)CCCC(=NO)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356340312	LWGGAXGVBFJDJE-ASSNQWIQSA-N	343.423	-1.534	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@@H](O)[C@@H]1CO	14689448	SOWRVDSZMRPKRG-CKPPPSNLSA-O	335.376	-3.758	30	1	EAEF	
N/C(=N\O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nnnc(N)c12	28476720	LLPXQLWVUXIIRE-RPKMEZRRSA-N	325.285	-2.886	30	1	EAEF	
N[C@H](C=O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	2356285053	LAVNEPYDFKGEOD-DIJSQRJZSA-N	341.313	-5.588	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@]1(O)[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356614774	HOKMRYAVBVSYOK-QSSQUUIRSA-N	344.360	-1.911	30	1	EAEF	
C=C[C@H](C#CC#CCCCO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356428574	PYTKUZJMLSAAIK-RDGWLKQMSA-N	326.345	-1.863	30	1	EAEF	
C=C(C)CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	33827521	UTUJWRRPZUGMNE-AEISUSGSSA-N	334.336	-1.280	30	1	EAEF	
C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O	261498883	WFLGVJKIXANXQV-KUIMHYNPSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
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)CO	12496942	YGEHCIVVZVBCLE-AUCXZHPRSA-N	342.297	-5.555	30	1	EAEF	endogenous,in-man
C=CCn1c(=O)n([C@@H](CO)OC(CO)CO)c2nc(N)[nH]c(=O)c21	27109772	PKTQJNNGEFSZHZ-MRVPVSSYSA-N	341.324	-2.485	30	1	EAEF	
CCNCCC[C@H](N)CC(=O)N(C)[C@H]1CN=C(/N=C(/N)O)NC1=O	26493075	WEQRWZCUMNFAKW-UWVGGRQHSA-N	341.416	-1.721	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	169361849	NFMNOZIGMJLMPP-XKCJOCLGSA-N	328.277	-1.255	30	1	EAEF	
CC1=CC(=O)[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	2356579176	SHZMGEYUEFSGCM-MIJCANNRSA-N	328.317	-1.566	30	1	EAEF	
CC(=O)N[C@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	36352014	ARAIBEBZBOPLMB-JXNGDSLSSA-N	332.313	-3.786	30	1	EAEF	
C[C@@H](Cn1cnc2c(N)nc(N=C(N)N)nc21)OCP(=O)(O)O	29123715	YXLQOCSRBHVDTE-YFKPBYRVSA-N	344.272	-1.146	30	1	EAEF	
Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2O)cc1	169322906	LSHLRMMRZJLPQY-CKIKVBCHSA-N	334.346	-1.500	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	2356455410	RZJPFBHCQVOHKY-FPASMVAYSA-N	342.297	-5.555	30	1	EAEF	
CC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	13604356	NUOBVCABUBRVOG-IVZWLZJFSA-N	346.232	-1.334	30	1	EAEF	
COc1cc(CC#N)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238735849	IGLFDZPSOHOIMY-UXXRCYHCSA-N	325.317	-1.060	30	1	EAEF	
CC[C@H](O)C#CC#CCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356755877	BCUZRKNMPRUXAE-AYCBFJCHSA-N	328.361	-1.639	30	1	EAEF	
OC[C@H](OCc1ccccc1)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	71754250	PDSXGAMSMWPKSK-VKPIURLWSA-N	345.437	-1.360	30	1	EAEF	
COc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@H](O)[C@](C)(O)[C@H](O)[C@@H]1O	13312305	MJWABJMLXRFZIX-QXSJWSMHSA-N	336.296	-1.076	30	1	EAEF	biogenic
CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356579177	SHZMGEYUEFSGCM-QOGNPKJNSA-N	328.317	-1.566	30	1	EAEF	
C[C@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	100769822	WFLGVJKIXANXQV-XPMHZCIGSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
CO/N=C(/C(=O)N[C@H]1CN(OCC(=O)O)C1=O)c1csc(N)n1	29241531	CAKDSXKMQCNCPY-FDPSFTLISA-N	343.321	-1.581	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	58550543	QUSHWGZQXAECSJ-XUOGRXCWSA-N	340.332	-1.205	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O	253639137	PUBKMQWDLGZHAJ-IEGXVIFOSA-N	329.305	-1.449	30	1	EAEF	
C=C[C@H](O)C#CC#CCC[C@@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356688458	AXGGXCIIAJXIPY-REYLZDGFSA-N	342.344	-2.545	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cccc21	238764644	AAYYJBZZHJNMEO-DPZJBDQQSA-N	336.296	-1.200	30	1	EAEF	
O=C1C=C[C@](O)(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)C1	2356468320	XNAJLGDVEHBLFR-QPQKLBPSSA-N	334.321	-3.186	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=N[C@H](CO)C(=O)O	2356547043	WXEQFJUHQIGKNG-RNCFNFMXSA-N	332.309	-2.078	30	1	EAEF	
C[C@@]12O[C@H]1C[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]21	2356595070	RUROMUOJORASTD-DWQKXSJISA-N	346.332	-2.419	30	1	EAEF	
C=C(C)[C@]12CC[C@](C)(O1)[C@H](O)[C@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356720112	QKTWROSLSKQSBD-PLEYAHMHSA-N	346.376	-1.570	30	1	EAEF	
C=CCC(=NS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356873655	YHOBVOQYONIVDM-JTBFQXKRSA-N	343.379	-1.703	30	1	EAEF	
CO[C@H]1[C@@H](C(=O)O)O[C@H](O[C@H](C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H]1O	2356500669	ZDDGWONHTPYERI-MEWVHJJXSA-N	340.281	-4.169	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@]3(O)[C@H]2[C@@H]2O[C@@H]2[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O	2356566692	PWZIGDMWDRKORM-CVBMGONQSA-N	348.304	-3.838	30	1	EAEF	
CO[C@H](CO)C1=C(N2CC2)C(=O)C([C@@H](CO)OC)=C(N2CC2)C1=O	169320082	FKCYYDVPNWJUCZ-NXEZZACHSA-N	338.360	-1.708	30	1	EAEF	
C=CC[S@@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O	40980529	HXMZQSGMNGTGGB-RMQBDGLHSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
C=C[C@@H]1[C@@H]2CCOCC2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356669322	XPMOQRHVZJDUKK-FAWXGMMZSA-N	344.360	-1.118	30	1	EAEF	
NC(N)=NC(=O)c1nc(Cl)c(NCCP(=O)(O)O)nc1N	73129736	ULVIPBWWRZQIAB-UHFFFAOYSA-N	337.664	-1.285	30	1	EAEF	
C[C@@H](O)CC#CC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	84668968	CYQYTLPRNDFGAL-YXCITZCRSA-N	334.328	-1.697	30	1	EAEF	
CO[C@]12[C@H]3N[C@H]3CN1[C@H]1C(=O)C(C)=C(N)C(=O)[C@@H]1[C@H]2COC(=N)O	1772601654	PCWNZPACMPENIE-LLQZOXFHSA-N	336.348	-1.506	30	1	EAEF	
CN(C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])[C@@H](CCN)C(N)=O	13809544	HCPHDLFJNOIJEE-YUMQZZPRSA-N	332.365	-3.149	30	1	EAEF	
NC(N)=NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@H](N)C(=O)N21	13781161	BKWDBVATEVWOQC-GUBZILKMSA-N	328.442	-1.453	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85844028	IVWJMPAYYVHQPT-NNGMQUDNSA-N	346.376	-1.007	30	1	EAEF	in-man
NN1C(=O)[C@H](CCO)S/C1=N/N=C1/S[C@@H](CCO)C(=O)N1N	5811456	IXGCXOQYZIQOOT-GFSAIZHDSA-N	348.410	-1.986	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O	230162866	HXMZQSGMNGTGGB-IYPGBIIWSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@@H](O)C1=N[C@H](CO)C(=O)O	2356844193	NSHOGJPEPQJUQQ-RESLBDFXSA-N	348.308	-3.107	30	1	EAEF	
O=C(N[C@H]1CCCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168566	OMBRYYNMYXZMPQ-AEJSXWLSSA-N	348.381	-1.142	30	1	EAEF	
Cc1ccc(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(C#N)c1O	2356598156	GVWDSUNSMCEEJG-HUGQBSPZSA-N	325.317	-1.111	30	1	EAEF	
O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H](O)[C@H](O)CO	2356533642	NBZMHIIBAFCDKV-QCZKYFFMSA-N	332.261	-2.397	30	1	EAEF	
C=C[C@@H](O)C#CC#CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741165	QMPXKTKJVYNHGV-VJQRDGCPSA-N	326.345	-1.863	30	1	EAEF	
N[C@@H](C[C@@H](C(=O)O)C1=C[C@@H](C[C@@H](N)C(=O)O)C=CC1=O)C(=O)O	100192408	RYBKCROHRDEYCF-ZQNVIIHSSA-N	326.305	-1.027	30	1	EAEF	in-vitro
C[C@@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@@H]23	253839260	HYJVJRUXRDRLNM-ZRDHXVKXSA-N	341.360	-1.181	30	3	EAEF	
N#CCN(CO)c1nc(N(CO)CC#N)nc(N(CO)CC#N)n1	1535905	KODIXBRRYZJOLR-UHFFFAOYSA-N	333.312	-2.289	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1	14588915	DDQFHDNWZKJNLC-QNNWKOGDSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
CC1=CC(=O)[C@H]2C[C@@]1(O)[C@]2(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356614773	HOKMRYAVBVSYOK-CBVCLNOTSA-N	344.360	-1.911	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14448110	IVWJMPAYYVHQPT-DPNIXTDFSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
C[C@H](Cn1cnc2nc(N)nc(N=C(N)N)c21)OCP(=O)(O)O	29123651	NVIJYRUKLZLSNP-RXMQYKEDSA-N	344.272	-1.146	30	1	EAEF	
CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@@]3C)[C@]1(O)[C@H]2CC(=O)ON	1857535950	SHHLNBHFDRJNDH-XCFHAUQPSA-N	334.332	-2.251	30	1	EAEF	
CO[C@]12[C@H]3N[C@H]3CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O	1605354	NWIBSHFKIJFRCO-OQUKCIDTSA-N	334.332	-1.651	30	1	EAEF	
C=CCNC(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560190	MKTINQQMWSTYIS-RCWTZXSCSA-N	325.369	-1.454	30	1	EAEF	
CC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CS)C(N)=O	49017427	RTFWHWNCBCTPDM-IUCAKERBSA-N	346.409	-1.994	30	1	EAEF	
C=CC[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](O)CO)O1	95607506	IUGVDRFIVSPVGO-IPKGDQBGSA-N	333.337	-2.246	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1	253640187	WXJDKATXSOWLAC-SBFBPPSASA-N	329.305	-1.449	30	1	EAEF	
CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@]3C)[C@]1(O)[C@H]2COC(=N)O	1857536452	ZPAACYUKOOEKOS-ZPXVWOKHSA-N	348.359	-1.159	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@]3(O)[C@@H](O)[C@@H]4O[C@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356566694	PWZIGDMWDRKORM-QMJOKYTESA-N	348.304	-3.838	30	1	EAEF	
O=C(C=Cc1ccc(O)cc1)[C@@H]1[C@H](O)[C@H](O)[C@H](O)C[C@@]1(O)C(=O)O	2356723479	KMFIWPXZGWEWSU-FAHYXWLWSA-N	338.312	-1.107	30	1	EAEF	
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)CS	49016505	RESYYXMVOQIMAM-QWRGUYRKSA-N	325.390	-1.394	30	1	EAEF	
O=C(N[C@@H]1CCCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168567	OMBRYYNMYXZMPQ-BBBLOLIVSA-N	348.381	-1.142	30	1	EAEF	
C[C@@H](O)[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=O	2356516194	OWIFTNHCDDEBHR-DIJSQRJZSA-N	326.298	-4.527	30	1	EAEF	
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	28523777	DOSAKMAMRORHEC-CVEAOICBSA-N	344.276	-1.549	30	1	EAEF	
C=C(C)CNC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	49109463	UTUJWRRPZUGMNE-JIXVBMEVSA-N	334.336	-1.280	30	1	EAEF	
CC/C=N/Nc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49785652	GIIMDTONNDYKSE-AZQQDLMRSA-N	337.340	-1.172	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@@H](CN21)N3C	100304011	UZUUQCBCWDBYCG-NRXGQJCYSA-N	349.343	-1.275	30	1	EAEF	in-vitro
N[C@@H](C[C@@H](C(=O)O)C1=C[C@H](C[C@@H](N)C(=O)O)C=CC1=O)C(=O)O	100192405	RYBKCROHRDEYCF-QQRDMOCMSA-N	326.305	-1.027	30	1	EAEF	in-vitro
CC1=CC(=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	2356599706	JTUGHXNNGQUKSQ-FDPBMYJESA-N	344.316	-2.451	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	96662654	UBTOEGCOMHAXGV-OUGNTYDSSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
C[C@@]12O[C@H]1[C@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356501531	DINMMVOHYZBIQX-DLZJYBDOSA-N	346.332	-2.563	30	1	EAEF	
NC(N)=NCCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@@]1(O)CC=CC1=O	31414352	DUYFQYOHZRZEAZ-WIMUKIRHSA-N	327.341	-2.803	30	1	EAEF	biogenic
C[C@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O	40164511	WFLGVJKIXANXQV-PSRFTFKZSA-N	326.298	-4.527	30	1	EAEF	in-man
N[C@H](CCC(=O)N[C@H](CCC(=O)NO)C(=O)NCC(=O)O)C(=O)O	5579188	COLWINNLGMAANX-RNFRBKRXSA-N	348.312	-2.850	30	1	EAEF	
O=C(N[C@@H]1CCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	96168563	DGAUUFHQTQVNOS-VGMNWLOBSA-N	334.354	-1.533	30	1	EAEF	
CC1=CC(=O)[C@@H]2C[C@@]1(O)[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238741114	HOKMRYAVBVSYOK-OVTNXYPDSA-N	344.360	-1.911	30	1	EAEF	
O=c1[nH]c(N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)nc2ccccc12	195515112	ABFPWGAYLOTXPD-JESZYRRWSA-N	338.320	-2.243	30	1	EAEF	
CC(=O)C1=C(N)C2=C3CCCN3[C@@](O)(N3CCOCC3)[C@@H]2NC1=O	103167539	KAYBJRADAGCVDB-ZBFHGGJFSA-N	334.376	-1.372	30	1	EAEF	
COc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@H](O)[C@](C)(O)[C@H](O)[C@H]1O	103241680	MJWABJMLXRFZIX-JONQDZQNSA-N	336.296	-1.076	30	1	EAEF	
OC[C@H](OS(O)(O)O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	103557035	NYHLFUZUGSMDBR-PUNFOFBGSA-O	337.392	-2.422	30	1	EAEF	in-vitro
CC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C=O)CCCNC(=N)N	1857593634	VZSVGUHOHBMCOO-RYUDHWBXSA-N	328.417	-1.433	30	1	EAEF	
O=C1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)Oc2ccccc2N1O	14443659	OUSLYTBGQGKTME-QFILMLMFSA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
C#CCOc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)n(CC#C)c1=O	1772645646	YYAZSPSRALPDTP-NRWUCQMLSA-N	336.300	-2.733	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(/C)C(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85844022	IVWJMPAYYVHQPT-ALKMSYHISA-N	346.376	-1.007	30	1	EAEF	in-man
C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O	13311057	HXMZQSGMNGTGGB-ZOBYCIHLSA-N	339.366	-3.235	30	1	EAEF	in-man
C=C[C@@](O)(CO)CC/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238789247	ROZJFFRHACNYHF-QJIXVVOGSA-N	348.392	-1.561	30	1	EAEF	
C=C(C)[C@]12CC[C@](C)(O1)[C@H](O)[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356720110	QKTWROSLSKQSBD-DCNHTQQUSA-N	346.376	-1.570	30	1	EAEF	
C=C[C@@H](NC(=O)[C@@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	6363125	JJJCGQKXGIRXKN-DJLDLDEBSA-N	347.393	-1.261	30	1	EAEF	in-vivo
NC(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)[C@@H]1C[C@@H](N)CN1	27764313	ZMBRPIKYQOGCJB-PRJMDXOYSA-N	330.349	-3.478	30	1	EAEF	
C=C(C)[C@H](NC(=O)[C@@H](CO)NC(=O)CCC[C@@H](N)C(=O)O)C(=O)O	2356626748	HZFOVGNLNOVYNI-KKZNHRDASA-N	345.352	-1.809	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)C(=O)O	257440627	HXMZQSGMNGTGGB-YSBWGEBVSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@H](O)[C@](C)(O)[C@H]1O	5179527	VSMBLBOUQJNJIL-FXUDXRNXSA-N	336.296	-1.076	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	261095876	FJGGJNPEAKCGMF-XRBZRGMYSA-N	326.349	-1.097	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1O	28524592	PUBKMQWDLGZHAJ-WOUPDEGTSA-N	329.305	-1.449	30	1	EAEF	
C=CC[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@H](O)CO)O1	95556370	IUGVDRFIVSPVGO-ZVBWPKDRSA-N	333.337	-2.246	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc21	2356579460	AAYYJBZZHJNMEO-GAUGTXIDSA-N	336.296	-1.200	30	1	EAEF	
CC1=CC(=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	2356599709	JTUGHXNNGQUKSQ-MMPBUEBRSA-N	344.316	-2.451	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@]1(O)[C@@]2(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356614776	HOKMRYAVBVSYOK-UMPXHEBKSA-N	344.360	-1.911	30	1	EAEF	
COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356867702	WUVMCCRKWLRPJP-SYVPJIEBSA-N	346.292	-3.956	30	1	EAEF	
CN(C)/C=N/c1nc(O)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	17176493	WDAVDBAMSKZBEN-UXNBNBRJSA-N	338.324	-1.635	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1	253640191	WXJDKATXSOWLAC-YBTYNUMHSA-N	329.305	-1.449	30	1	EAEF	
C#CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	254074769	DOQVBNTWSDZPPA-NNXMZFEESA-N	337.361	-1.255	30	1	EAEF	
C[C@@H]1C(=O)O[C@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23	169358671	HYJVJRUXRDRLNM-LXEHIPBCSA-N	341.360	-1.181	30	1	EAEF	
CCOC(=O)[C@H]1O[C@@H](N2C[C@H]([N+](=O)[O-])C(=O)NC2=O)[C@H](O)[C@@H]1O	169339169	YEXVXYYOTBODPS-KPRJIFDWSA-N	333.253	-2.807	30	1	EAEF	
C[C@@H](O)[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=O	2356516195	OWIFTNHCDDEBHR-GGUIBLAHSA-N	326.298	-4.527	30	1	EAEF	
OC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC=C[C@@H]2[C@H](O)[C@@H]3O[C@@H]3[C@H]12	255280042	XCHBXOJVNFFCJZ-VRQUYPSRSA-N	346.332	-3.318	30	1	EAEF	
CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@@]3C)[C@]1(O)[C@@H]2CC(=O)ON	1857535994	SHHLNBHFDRJNDH-PUTINTCCSA-N	334.332	-2.251	30	1	EAEF	
C=C1[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@]2(O)C[C@@H]1C2(C)C	525915277	WVEXFNOOUNMXMC-YUYKZUIQSA-N	330.377	-1.091	30	1	EAEF	biogenic
CO/N=C(\C(=O)N[C@H]1CN(S(=O)(=O)O)C1=O)c1csc(N)n1	26501262	SBWCNJUQJMGRGL-LEJCLSKJSA-N	349.350	-1.794	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1O	28524591	PUBKMQWDLGZHAJ-QGHFKUFISA-N	329.305	-1.449	30	1	EAEF	
C=C[C@@H](C#CC#CCCCO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238742198	PYTKUZJMLSAAIK-RCZWDNKTSA-N	326.345	-1.863	30	1	EAEF	
C=CC[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@@H](O)CO)O1	95556372	IUGVDRFIVSPVGO-XUJSNPBDSA-N	333.337	-2.246	30	1	EAEF	
NS(=O)(=O)/N=C(\O)OC[C@H]1C=C[C@H](n2ccc(=O)[nH]c2=O)O1	28526579	FKWNQAVRCQNIBQ-HTRCEHHLSA-N	332.294	-1.876	30	1	EAEF	
NC(=NO)c1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c2ncnc(NO)c12	256832564	VDRNYDUPTSTUEE-IZRASGFBSA-N	340.296	-2.062	30	1	EAEF	
CC[C@@H](O)C#CC#CCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356755878	BCUZRKNMPRUXAE-RDGWLKQMSA-N	328.361	-1.639	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	40548019	QUSHWGZQXAECSJ-KWMSLLQJSA-N	340.332	-1.205	30	1	EAEF	
C[C@]12O[C@H]1C[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	238767042	RUROMUOJORASTD-MRBFMAGLSA-N	346.332	-2.419	30	1	EAEF	
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)N(O)C2CC2)[C@@H](O)[C@H]1O	49018880	FTJMTQKLNALXLD-ZZIUEJKTSA-N	336.308	-1.592	30	1	EAEF	
N[C@H](CCC(=O)N[C@H](CS)C(=O)N[C@H](CO)C(=O)O)C(=O)O	257526984	QWHVIVGONDEFNH-FSDSQADBSA-N	337.354	-2.845	30	1	EAEF	endogenous,in-man
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NC(=O)C3CC3)CN12	2356855819	RTNFAUQBGSZEME-BFHYXJOUSA-N	332.404	-1.017	30	1	EAEF	
O=C1C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)=C(O)O[C@@H]1[C@@H](O)CO	101319952	YEERNPPBIMJBHH-QFSYAWKKSA-N	338.265	-4.149	30	1	EAEF	
CN(C)/C=N/c1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3F)c2[nH]1	220995537	KBFMHYOHKLKPFN-MOHYFXDTSA-N	340.315	-1.070	30	1	EAEF	
COC1=CC(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@@]1(O)[C@@H]3[C@H](CN21)[N@@]3C	1857536677	LYPUEVFGXHYKBG-QCIFMDCGSA-N	335.316	-1.251	30	1	EAEF	
CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)O)CC(=O)NO	26508528	LGTCXFCDRKWJFU-BQBZGAKWSA-N	332.313	-2.531	30	1	EAEF	
O=C(NC1[C@H]2CNC[C@H]12)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	100619615	NIWSIMMJVLMXQJ-XGEHTFHBSA-N	346.365	-1.677	30	1	EAEF	
N[C@@H](C=O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	2356285055	LAVNEPYDFKGEOD-RXTILINESA-N	341.313	-5.588	30	1	EAEF	
C=C[C@@](O)(CO)CCC=C(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456815	ROZJFFRHACNYHF-TWHJKIGZSA-N	348.392	-1.561	30	1	EAEF	
C[C@@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O	40164512	WFLGVJKIXANXQV-DIRLUFCFSA-N	326.298	-4.527	30	1	EAEF	in-man
O=C[C@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	238738740	DKXNBNKWCZZMJT-IHCGBPIYSA-N	342.297	-5.555	30	1	EAEF	
N#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	169315000	MAHMBNBBSHVKPJ-XLPZGREQSA-N	333.193	-1.834	30	1	EAEF	
CC(=CC[C@]12O[C@@H]1[C@@H]1O[C@H](C(C)(C)O)C[C@]1(O)[C@@H](O)[C@@H]2O)CO	2356759941	LTQGCRJLFUTPOI-UPQJPRDUSA-N	330.377	-1.152	30	1	EAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	28525616	XTLSZBMERPGKOO-UQGZEVSQSA-N	328.277	-1.255	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N/[C@@H](C(=O)O)[C@H](C)O	38190829	VIZAVBQHHMQOQF-APWPJUKSSA-N	346.336	-1.689	30	1	EAEF	in-vitro
C=C[C@](C)(O)CC/C=C(/C)C(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14448111	IVWJMPAYYVHQPT-YJQXQCQOSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1	28523775	DOSAKMAMRORHEC-RZMIWZGBSA-N	344.276	-1.549	30	1	EAEF	
C#Cc1cn([C@@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	36175592	AQSXPZRJLDMJIN-CIUDSAMLSA-N	332.205	-1.724	30	1	EAEF	
COc1ccc(CC#N)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238741736	LPIOCMVRCPARCW-UXXRCYHCSA-N	325.317	-1.060	30	1	EAEF	
CN(C(=O)C[C@@H](N)CSCCN)[C@H]1CN=C(/N=C(/N)O)NC1=O	26637758	VXYWEPWYGOBWJC-SFYZADRCSA-N	345.429	-2.419	30	1	EAEF	
CC(C)(O)[C@]1(O)[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@@H]3C(=O)O[C@@H]2[C@@]31C	2356647395	LHNKBXRFNPMIBR-PEGZMHKXSA-N	326.301	-1.896	30	1	EAEF	
O=C(N[C@@H]1CCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	43206321	DGAUUFHQTQVNOS-HLTSFMKQSA-N	334.354	-1.533	30	1	EAEF	
C[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	103582668	QMBUXWAVZQWFED-AQVHQXAESA-N	346.332	-2.563	30	1	EAEF	biogenic,in-vitro
CO[C@H]([C@@H](O)[C@@H](C)O)[C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356690988	SSUDMFCVNSOFTC-WNXDXAMXSA-N	340.325	-3.873	30	1	EAEF	
CCCC#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(=O)[nH]c1=O	84671502	XHEMRIMZCOFGEX-YGEZULPYSA-N	340.332	-2.339	30	1	EAEF	in-vitro
NC(=O)[C@H]1C[C@@H](N)CN1C(=O)[C@@H](N)CCCN/C(N)=N/[N+](=O)[O-]	27845045	QLHNGUCBVCLFHA-GJMOJQLCSA-N	330.349	-3.397	30	1	EAEF	
COC1=CC(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@H]3N[C@H]3CN21	43834354	RWBOTLPCLBKQRH-WUDYKRTCSA-N	335.316	-1.354	30	1	EAEF	
CC(=O)CC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O	49054110	FCMVSTNHLGILRZ-YUMQZZPRSA-N	332.382	-2.384	30	1	EAEF	
N#Cc1cc(=O)[nH]c(=O)n1[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	49089357	GCVKNFUDFHDSJQ-YYNOVJQHSA-N	349.192	-2.863	30	1	EAEF	
NC(N)=NCCC[C@H](N)C(=O)N[C@@H](C(=O)O)[C@@]1(O)CC=CC1=O	14852053	DUYFQYOHZRZEAZ-DXVIDONBSA-N	327.341	-2.803	30	1	EAEF	biogenic
C[C@@H](N)CC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26497308	RSOWUVVRECQPGV-HRDYMLBCSA-N	327.389	-1.983	30	1	EAEF	
NC(=O)[C@@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@H]1C[C@@H](N)CN1	27764307	ZMBRPIKYQOGCJB-BWZBUEFSSA-N	330.349	-3.478	30	1	EAEF	
NC(=O)[C@H]1NCC[C@@H]1NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	34947221	QHTNDEDTVTZXFK-FXQIFTODSA-N	330.349	-3.478	30	1	EAEF	
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)CO	31539863	YGEHCIVVZVBCLE-VBEOFISCSA-N	342.297	-5.555	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5742756	UBTOEGCOMHAXGV-ZALLPQQZSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@H](C)O	257565509	VIZAVBQHHMQOQF-DIJRONRYSA-N	346.336	-1.689	30	1	EAEF	endogenous,in-man
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@H](C)O	257565510	VIZAVBQHHMQOQF-QBMKIHKZSA-N	346.336	-1.689	30	1	EAEF	endogenous,in-man
C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)C)NC2=O	101174710	LXVGIHFACZUJGM-OLRMPSLUSA-N	329.353	-2.733	30	1	EAEF	
CO[C@H]1CC(=O)C=C[C@@]1(O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356471775	ZCRNWBJHIJCNDA-HXNAKVDVSA-N	348.348	-2.532	30	1	EAEF	
C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1	14588916	DDQFHDNWZKJNLC-JYGXICSKSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12	100067780	NWIBSHFKIJFRCO-JZQLQECVSA-N	334.332	-1.651	30	3	EAEF	in-man
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H]2[C@@H]2O[C@@H]2[C@@H]3O)[C@@H](O)[C@H](O)[C@H]1O	2356473397	DRXHHSWFGHCUGX-IWSCWQBYSA-N	332.305	-2.953	30	1	EAEF	
C=CC[C@@H](O)[C@H]1O[C@H](n2ccc(=O)c3c(N)ncnc32)[C@H](O)[C@@H]1O	49018500	JJJPSEYULREDIK-YCGCYHNXSA-N	334.332	-1.070	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cccc21	14492420	AAYYJBZZHJNMEO-VMMWWAARSA-N	336.296	-1.200	30	1	EAEF	endogenous,in-man
CC1(C)O[C@H]2[C@@H](C/N=C(\N)N=C(N)N)O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1	26190152	QEVWAIQRFHKFGK-JDDHQFAOSA-N	343.384	-1.029	30	1	EAEF	
O=C1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)Oc2ccccc2N1O	59066947	OUSLYTBGQGKTME-XZQWFADNSA-N	343.288	-2.056	30	1	EAEF	in-man
OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)/C=N\Nc1nc(O)c2ccccc2n1	254073839	ABFPWGAYLOTXPD-ZNNJLENHSA-N	338.320	-1.831	30	1	EAEF	
C=C[C@@](O)(CO)CCC=C(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456814	ROZJFFRHACNYHF-IBPCWRJOSA-N	348.392	-1.561	30	1	EAEF	
C=CC[S@](=O)C[C@@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O	13311061	HXMZQSGMNGTGGB-XVTJZRJRSA-N	339.366	-3.235	30	1	EAEF	in-man
C[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	137600144	QMBUXWAVZQWFED-OLNKUJJASA-N	346.332	-2.563	30	1	EAEF	
C[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356313319	WHLKVYNTAYQTFO-YBOLEFIPSA-N	326.298	-4.527	30	1	EAEF	
O=C1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)Oc2ccccc2N1O	14443661	OUSLYTBGQGKTME-IJJRAJKASA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
OCC=CC#CC#CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356646360	ZAHYJZSMWIWHDJ-DGADGQDISA-N	326.345	-1.862	30	1	EAEF	
NC(=O)[C@@H]1C[C@@H](N(O)C(=O)[C@@H](N)CCCN/C(N)=N/[N+](=O)[O-])CN1	14977543	CTHMJCQUZVLLJU-CSMHCCOUSA-N	346.348	-3.377	30	1	EAEF	in-vitro
CC#CCCOc1nc(N)c2ncn([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)c2n1	49066443	URVQRCGJIKGUGN-GEEFMHANSA-N	349.347	-1.188	30	1	EAEF	
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C=C(N)C3=O)N1C[C@H]1[C@@H]2N1C	137572644	ALVMKKZPGOMDDA-MAWKRKEHSA-N	334.332	-1.699	30	1	EAEF	
CC1=CC[C@@H]([C@@](C)(O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1=O	2356521375	VHKVJYPHKNZCFD-CFUYFXPISA-N	346.376	-1.521	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	13551877	DKXNBNKWCZZMJT-XZIADSGLSA-N	342.297	-5.555	30	1	EAEF	
N[C@@H](C(=O)NO)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	35274045	BMYDQORBNYZFKN-ZDUSSCGKSA-N	336.348	-1.108	30	1	EAEF	
CO[C@@H]1CC(=O)C=C[C@]1(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238757356	ZCRNWBJHIJCNDA-PPHWHCQRSA-N	348.348	-2.532	30	1	EAEF	
C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)OC)NC2=O	100766506	WBVYBXWIOURDLL-OLRMPSLUSA-N	345.352	-2.801	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	100890420	DKXNBNKWCZZMJT-BGCXDQFBSA-N	342.297	-5.555	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)[C@H]3C(=O)C(N)=C(C)C(=O)[C@]34N1C[C@H]1[C@@H]2[N@]14	2356703376	ZOVLGAUVYBEUSN-XSTGFBPKSA-N	334.332	-1.453	30	1	EAEF	
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)C(=O)O	13507463	QWHVIVGONDEFNH-ACZMJKKPSA-N	337.354	-2.845	30	1	EAEF	endogenous,in-man
C=C[C@H](O)C#CC#CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238755473	QMPXKTKJVYNHGV-RCZWDNKTSA-N	326.345	-1.863	30	1	EAEF	
O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C#Cc1ccccc1	38317829	YEFAYVNQPIXISW-IXYNUQLISA-N	344.323	-1.452	30	1	EAEF	
CN(CC(=O)N[C@H](C=O)CCCNC(=N)N)C(=O)[C@H]1CCCCN1	3823931	IWVBJQFIFRJJKB-NWDGAFQWSA-N	340.428	-1.466	30	1	EAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3(O)[C@@H](O)[C@@H]4O[C@@H]4[C@H]23)[C@H](O)[C@@H](O)[C@@H]1O	28536482	PWZIGDMWDRKORM-WWPNSYQUSA-N	348.304	-3.838	30	1	EAEF	
CC(C)(O)C#Cc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49014232	FDZIDFOYANSFOL-UORFTKCHSA-N	325.321	-2.284	30	1	EAEF	
CC=CC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)=C1C(=O)CO[C@@H]1CO	2356722768	PFKWBPMZMDYQSI-PPGQFEFWSA-N	330.333	-1.379	30	1	EAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3(O)[C@@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	28536486	PWZIGDMWDRKORM-WAGIKQGHSA-N	348.304	-3.838	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc21	257373801	AAYYJBZZHJNMEO-SLZITWOASA-N	336.296	-1.200	30	1	EAEF	endogenous,in-man
C=C[C@H](CO)[C@H](CCO)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356775463	LXZLWLTYJBHIOS-VVRFCBCGSA-N	336.381	-2.014	30	1	EAEF	
CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@H]3N[C@@H]3CN21	105394944	QMWMHVONMWSXDM-KMRHIJFOSA-N	348.359	-1.391	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@@H](O)C1=N[C@@H](CO)C(=O)O	2356844194	NSHOGJPEPQJUQQ-XDYOCTJHSA-N	348.308	-3.107	30	1	EAEF	
C[C@@H](O)[C@H](NC(=O)CS)C(=O)N[C@@H](Cc1ccccc1)C(N)=O	48998701	QVXINYUTKCTUCH-CDMKHQONSA-N	339.417	-1.005	30	1	EAEF	
O=C1C=C[C@@](O)(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)C1	2356468319	XNAJLGDVEHBLFR-OYIZLPQKSA-N	334.321	-3.186	30	1	EAEF	
N#C[C@]1(C(=O)O)[C@H](O)[C@H](CO)O[C@H](n2ccc(=N)nc2O)[C@H]1O	2356827958	IQYKIDQWYXWWFL-JJMVBFHUSA-N	326.265	-2.726	30	1	EAEF	
C=C[C@@H](O)C#CC#C[C@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356584644	MWOLLPDIFAGNPI-RARVGVHXSA-N	342.344	-2.892	30	1	EAEF	
C=C1C[C@@H](O)[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356639546	UQQFHQBHLAWWSL-RNDVCNJYSA-N	330.333	-1.774	30	1	EAEF	
CC(C)(O)C#Cc1c(C(N)=O)ncn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49014229	FDZIDFOYANSFOL-VUXODMRMSA-N	325.321	-2.284	30	1	EAEF	
COC1=C(N[C@H](CO)C(=O)O)C[C@](O)(CO)CC1=NCC(=O)O	2356503445	HXQQNYSFSLBXQJ-RNCFNFMXSA-N	332.309	-2.078	30	1	EAEF	
COc1cc(O)cc2c1C(=O)C1=C(C2=O)[C@H](O)[C@](C)(O)[C@@H](O)[C@@H]1O	13312308	MJWABJMLXRFZIX-UGUYLWEFSA-N	336.296	-1.076	30	1	EAEF	biogenic
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#Cc1ccccn1	58569447	UWFIOOITHCODEX-BFHYXJOUSA-N	329.312	-1.028	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@H]1[C@]2(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356666058	QMWLNTIQESGVGH-UBKTXBBRSA-N	328.361	-1.026	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@H]1[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238765668	QMWLNTIQESGVGH-LJJWUKLJSA-N	328.361	-1.026	30	1	EAEF	
C/C=C\C#CC#C[C@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95909789	ZSJISDBQQUKAGV-YTQPNJOMSA-N	326.345	-1.863	30	1	EAEF	biogenic,in-vitro
OC[C@H]1O[C@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356665299	BESOZFUJSSJTTH-ZDNQHPGKSA-N	348.348	-2.685	30	1	EAEF	
N[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)C1	96168607	DNNRMFBYVLVTMA-HLTSFMKQSA-N	334.354	-1.451	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(\C)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	238772676	CTSFPRLVGFROJO-UNFYXLBOSA-N	346.376	-1.007	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NC(=O)COC)CN12	2356836298	KZMPCVPBLBSGHP-JHJVBQTASA-N	336.392	-1.780	30	1	EAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@H](O)CO)N/C1=C/c1ccccc1	5832168	IZFWHMMSFXMNEO-UJAXQQBUSA-N	334.332	-1.836	30	1	EAEF	
C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)OC)NC2=O	13555318	WBVYBXWIOURDLL-WTDIUWLJSA-N	345.352	-2.801	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cccc21	85883392	AAYYJBZZHJNMEO-CWCFIDOXSA-N	336.296	-1.200	30	1	EAEF	in-man
C[C@@H](O)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	49113472	FVYVATPFAGDCSK-FJXKBIBVSA-N	348.429	-2.985	30	1	EAEF	
C[C@@H](Cn1cnc2c(N=C(N)N)nc(N)nc21)OCP(=O)(O)O	29123721	SWXLOIHTYGQDFM-YFKPBYRVSA-N	344.272	-1.146	30	1	EAEF	
C=CCN(C)C(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564884	KACIGIUXZUDKJK-FIQHERPVSA-N	339.396	-1.112	30	1	EAEF	
CN(C)/C=N/c1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	102959135	WDAVDBAMSKZBEN-TVXJQTCDSA-N	338.324	-2.048	30	1	EAEF	
CCO[C@@H]([C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO	653693898	JSEWIZVMEZCGQN-XJYHBIDVSA-N	343.418	-3.819	30	1	EAEF	
O=C(C=Cc1ccc(O)cc1)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741661	ICCOBDHPGDDITK-DGADGQDISA-N	340.328	-1.209	30	1	EAEF	
CC(=O)N[C@H]1[C@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	13828172	ARAIBEBZBOPLMB-OTZKOZDPSA-N	332.313	-3.786	30	1	EAEF	
O=C(O[C@@H]1CCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168647	FGNBHTVFAOCZLQ-HLTSFMKQSA-N	335.338	-1.106	30	1	EAEF	
COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	2356431788	FOYFJRGETORFTE-WWJWFVIOSA-N	332.265	-3.999	30	1	EAEF	
CC(=O)N[C@@H]1[C@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	13828169	ARAIBEBZBOPLMB-PKGQWCBFSA-N	332.313	-3.786	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(OC)[C@H]3N[C@H]3CN21	43676504	UHHBOSYYWXOHGE-IUFZWFJJSA-N	349.343	-1.252	30	1	EAEF	
C=C[C@]1(CO)CC[C@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	257525320	QSBRHMSGMHEVKB-RKKQXZFNSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
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	2356307253	QHBKKIDYKQWITD-FFNAGIJPSA-N	340.281	-4.435	30	1	EAEF	
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)O1	100776975	QSBRHMSGMHEVKB-JUIYUEJQSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
CC(=O)N[C@@H](C(=O)N1CCCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560243	HGKXDQMONGAZJI-NOOOWODRSA-N	339.396	-1.134	30	1	EAEF	
C[C@H]1C(=O)O[C@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23	169358672	HYJVJRUXRDRLNM-SBBIAIDOSA-N	341.360	-1.181	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@H]1CO	195150244	SOWRVDSZMRPKRG-OOUDAXIXSA-O	335.376	-3.758	30	1	EAEF	
N[C@@H]1CCN(C(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)C1	473220480	DNNRMFBYVLVTMA-VGMNWLOBSA-N	334.354	-1.451	30	1	EAEF	
O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@H](O)[C@@H](O)CO	2356533644	NBZMHIIBAFCDKV-XPXLGCRWSA-N	332.261	-2.397	30	1	EAEF	
OCC=CC#CC#CCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356646361	ZAHYJZSMWIWHDJ-LEOABGAYSA-N	326.345	-1.862	30	1	EAEF	
N[C@@H](CCC(=O)N[C@H](CS)C(=O)N[C@@H](CO)C(=O)O)C(=O)O	15261440	QWHVIVGONDEFNH-LYFYHCNISA-N	337.354	-2.845	30	1	EAEF	endogenous,in-man
O=C(O)C(=NO)c1nc(C(=NO)C(=O)O)nc(C(=NO)C(=O)O)n1	2356875329	ZOUFARGGCAHMQV-UHFFFAOYSA-N	342.180	-2.340	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	16051531	SOWRVDSZMRPKRG-HGSKAGTHSA-O	335.376	-3.758	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NC(=O)COC)CN21	2356836299	KZMPCVPBLBSGHP-UPJWGTAASA-N	336.392	-1.780	30	1	EAEF	
C#Cc1cn([C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	28770946	AQSXPZRJLDMJIN-IWSPIJDZSA-N	332.205	-1.724	30	1	EAEF	
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356678067	QSBRHMSGMHEVKB-FILLVXNXSA-N	348.392	-1.322	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NC(=O)C3CC3)CN12	2356855821	RTNFAUQBGSZEME-MGPQQGTHSA-N	332.404	-1.017	30	1	EAEF	
O=[N+]([O-])c1ccc(NN=C(CO)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])c1	2356816018	ROLPVNVIFWLNOC-GHMZBOCLSA-N	330.253	-1.023	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)N3C	100789469	SEDXBOADINLGFR-TZLOFCMZSA-N	349.343	-1.564	30	1	EAEF	
NC(=O)[C@H](CCC/N=C(\N)N[N+](=O)[O-])NC(=O)[C@H]1C[C@H](N)CN1	27767412	ZMBRPIKYQOGCJB-BIIVOSGPSA-N	330.349	-3.478	30	1	EAEF	
N[C@H](CCC(=O)N[C@@H](CCC(=O)NO)C(=O)NCC(=O)O)C(=O)O	5579182	COLWINNLGMAANX-RQJHMYQMSA-N	348.312	-2.850	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@@H]1CCNC1)[C@@H]1CN/C(=N/C(N)=O)N=C1O	66136626	KMLRRSMCDBXGII-LPEHRKFASA-N	339.400	-1.475	30	1	EAEF	
C=C[C@H](O)C#CC#C[C@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356584642	MWOLLPDIFAGNPI-OLHNTFIZSA-N	342.344	-2.892	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc21	85883395	AAYYJBZZHJNMEO-AMMHQNNLSA-N	336.296	-1.200	30	1	EAEF	in-man
O=C(O[C@H]1CCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473213464	FGNBHTVFAOCZLQ-CIUDSAMLSA-N	335.338	-1.106	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O	28525266	NFMNOZIGMJLMPP-UQGZEVSQSA-N	328.277	-1.255	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@@H](C)O	100822345	VIZAVBQHHMQOQF-ZDRKUPSLSA-N	346.336	-1.689	30	1	EAEF	endogenous,in-man
N#C[C@]1(C(=O)O)[C@H](O)[C@H](CO)O[C@@H](n2ccc(=N)nc2O)[C@H]1O	2356827957	IQYKIDQWYXWWFL-JFEMGPMLSA-N	326.265	-2.726	30	1	EAEF	
C[C@@H](Cn1cnc2nc(N)nc(N=C(N)N)c21)OCP(=O)(O)O	29123598	NVIJYRUKLZLSNP-YFKPBYRVSA-N	344.272	-1.146	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O	2356455412	RZJPFBHCQVOHKY-PIRUMLQVSA-N	342.297	-5.555	30	1	EAEF	
NC(=O)[C@@H]1C[C@H](NC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1	13559333	IUFRDGFKAVLPFZ-RNJXMRFFSA-N	330.349	-3.478	30	1	EAEF	
C/C=C/C#CC#C[C@@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38441556	ZSJISDBQQUKAGV-SAXCJHPMSA-N	326.345	-1.863	30	1	EAEF	biogenic,in-vitro
COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	238757701	FOYFJRGETORFTE-HBVUFRJMSA-N	332.265	-3.999	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OCC[C@@H]3C[C@@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356665296	BESOZFUJSSJTTH-CZKMUSHYSA-N	348.348	-2.685	30	1	EAEF	
C=C[C@@H](CO)[C@@H](CCO)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356775457	LXZLWLTYJBHIOS-OYFCHPHHSA-N	336.381	-2.014	30	1	EAEF	
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)nc(Cl)nc32)[C@@H]1O	653727834	QGWNYEYULPZJFE-OEBFKYMWSA-N	325.712	-1.323	30	1	EAEF	
NCCCC[C@@H](N)C(=O)N[C@H](CCCN/C(N)=N/[N+](=O)[O-])C(N)=O	13531461	NRDGOJQPHWAEES-RKDXNWHRSA-N	346.392	-2.711	30	1	EAEF	in-vitro
C=C[C@@H](C#CC#CCCCO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356428573	PYTKUZJMLSAAIK-AYCBFJCHSA-N	326.345	-1.863	30	1	EAEF	
C[C@@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	40164514	WFLGVJKIXANXQV-UKTBLMBDSA-N	326.298	-4.527	30	1	EAEF	in-man
C#CCCC(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO	40393444	JTBDWBNIANDDGW-AWEZNQCLSA-N	341.408	-1.482	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)cccc21	85883391	AAYYJBZZHJNMEO-LNNMMNKASA-N	336.296	-1.200	30	1	EAEF	in-man
O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COC(=O)c1cc(O)c(O)c(O)c1	2356630483	SMZJCCHIPATQCN-QSFUFRPTSA-N	332.261	-2.397	30	1	EAEF	
C#Cc1cn([C@@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	28770942	AQSXPZRJLDMJIN-HLTSFMKQSA-N	332.205	-1.724	30	1	EAEF	
CC1(C)O[C@@H]2CO[C@@]3(C/N=C(/N)N=C(N)N)OC(C)(C)O[C@@H]3[C@@H]2O1	26190130	QGIAZFQVDKXZPS-MSLVZZLFSA-N	343.384	-1.027	30	1	EAEF	
Cc1ccc(/C=C2/N=C(N/N=C\[C@@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1	31871629	CXAGJOLFYDCXSS-BTIFQHOHSA-N	348.359	-1.528	30	1	EAEF	
CC(C)C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N[N+](=O)[O-])C(=O)NO	45354451	BHVJSFZBDMFOLF-IUCAKERBSA-N	347.376	-1.564	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	40752581	FJGGJNPEAKCGMF-APBQBJGWSA-N	326.349	-1.097	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@@H]1CO	194880477	SOWRVDSZMRPKRG-YBCSNDNFSA-O	335.376	-3.758	30	1	EAEF	
CC(=O)N[C@H](C(=O)N1CCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29558596	OZXOXSKHHIGIKG-NAKRPEOUSA-N	325.369	-1.524	30	1	EAEF	
NC(=O)[C@H]1C[C@H](N)CN1C(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-]	40514651	QLHNGUCBVCLFHA-XLPZGREQSA-N	330.349	-3.397	30	1	EAEF	
O=C1C=C[C@@](O)(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)C1	238731495	XNAJLGDVEHBLFR-GDJPEOAQSA-N	334.321	-3.186	30	1	EAEF	
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)O1	100776981	QSBRHMSGMHEVKB-RQIPRSKVSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
O=C1C=CC(=O)C(c2cn([C@H]3C[C@H](O)[C@@H](CO)O3)c(=O)[nH]c2=O)=C1	169328076	MDGPYHVFELBDEI-YNEHKIRRSA-N	334.284	-1.731	30	1	EAEF	
CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)CC1	2356467321	LXDQFZXPMQXZJM-RGDJUOJXSA-N	346.376	-1.331	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H]2[C@@H](O)[C@H]2O[C@@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356537234	LCDJVEZJCUBANN-GGXSLDLCSA-N	332.305	-2.953	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@@H](O)[C@H](O)[C@H]1O	39177780	FFLUVDOEJBDSSD-ZJEVJMSISA-N	346.376	-1.007	30	1	EAEF	
C[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	2356369319	QMBUXWAVZQWFED-MTWFFUGKSA-N	346.332	-2.563	30	1	EAEF	
O=C(C=Cc1ccc(O)c(O)c1)C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	2356826007	HUXWBFFRUHXOBU-REBRKWNGSA-N	342.300	-2.315	30	1	EAEF	
CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O	13513279	FKGNJUCQKXQNRA-OYNCUSHFSA-N	349.409	-1.182	30	1	EAEF	
N/C(=N/O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NO)c12	4847335	VDRNYDUPTSTUEE-JTFADIMSSA-N	340.296	-2.062	30	1	EAEF	
NC(=O)[C@H]1C[C@H](N)CN1C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	27845053	QLHNGUCBVCLFHA-BIIVOSGPSA-N	330.349	-3.397	30	1	EAEF	
O=C(N[C@H]1CCCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220601	OMBRYYNMYXZMPQ-GUBZILKMSA-N	348.381	-1.142	30	1	EAEF	
C=C[C@@H](O)C#CC#CCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741164	QMPXKTKJVYNHGV-RDGWLKQMSA-N	326.345	-1.863	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)N3C	43706701	SEDXBOADINLGFR-ILVFAAONSA-N	349.343	-1.564	30	1	EAEF	
C#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	28770947	AQSXPZRJLDMJIN-DJLDLDEBSA-N	332.205	-1.724	30	1	EAEF	
CC1=C(O)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O	263614741	SSPKMGDJOCSPSC-YBQQBMQWSA-N	335.316	-1.364	30	1	EAEF	in-vitro
O=CC[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CO	15206276	LCIOULREYSZZRU-RBLWNENSSA-N	326.298	-4.525	30	1	EAEF	
N#Cc1cn([C@@H]2O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]2F)c(=O)nc1O	71295172	NOKKNGDKGRBAEA-JXOAFFINSA-N	335.184	-1.405	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NS(C)(=O)=O)CN21	15708421	GVWUBTJUMAXUPV-TUAOUCFPSA-N	342.421	-1.994	30	1	EAEF	biogenic
C[C@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	26376016	VDHYEXXQSBQMES-KNXOTIIJSA-N	335.320	-2.248	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(O)c1	28521905	WXJDKATXSOWLAC-JUUSDRQCSA-N	329.305	-1.449	30	1	EAEF	
N/C(=N\[N+](=O)[O-])NN/C=c1/cc/c(=C2\C=CC(=O)C(C(=O)O)=C2)o1	15974388	KCVYFLQOWFQYSK-NFNKYSHCSA-N	333.260	-2.081	30	1	EAEF	
C=C(C)[C@]12CC[C@](C)(O1)[C@@H](O)[C@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	39028807	QKTWROSLSKQSBD-YOPUQRQPSA-N	346.376	-1.570	30	1	EAEF	
COc1cc(O)c(CC#N)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238760066	NOXKPXFTOIKDOD-UXXRCYHCSA-N	341.316	-1.354	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)[N@]3C	1857535996	SEDXBOADINLGFR-YFNKVIIZSA-N	349.343	-1.564	30	1	EAEF	
C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(N(C)C)N=C2O	13555309	LXVGIHFACZUJGM-WTDIUWLJSA-N	329.353	-1.892	30	1	EAEF	
CN(C(=O)C[C@@H](N)CC[C@H](N)CO)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26501439	VTXJFBXGSXNZCF-XHNCKOQMSA-N	343.388	-3.011	30	1	EAEF	
O=C1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)Oc2ccccc2N1O	114833882	OUSLYTBGQGKTME-GFVAFAAVSA-N	343.288	-2.056	30	1	EAEF	
NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)[C@H](N)CCCN/C(N)=N\[N+](=O)[O-]	27842122	QLHNGUCBVCLFHA-PRJMDXOYSA-N	330.349	-3.397	30	1	EAEF	
N[C@H](C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O)[C@H]1CCCN1	49072253	ASXSUHGUGUJDEH-FYBVGQRMSA-N	327.341	-2.795	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)[N@@]3C	1857535995	SEDXBOADINLGFR-IABUQOIDSA-N	349.343	-1.564	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCN=C(N)N)[C@H]1CN=C(/N=C(/N)O)NC1=O	26494693	DURVDRFMWGKXQK-BQBZGAKWSA-N	341.376	-3.447	30	1	EAEF	
CO[C@@H]1[C@@H](C(=O)O)O[C@H](O[C@@H](C=O)[C@@H](O)[C@H](O)CO)[C@H](O)[C@H]1O	220619558	ZDDGWONHTPYERI-MOEYFMCOSA-N	340.281	-4.169	30	1	EAEF	
CC1(C)O[C@H]2[C@@H]3O[S@@](=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1	28763027	ZJQNGOSIQPZEKA-FMIHESKTSA-N	345.351	-1.553	30	1	EAEF	
CC1(C)O[C@H]2[C@@H]3O[S@](=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1	28763028	ZJQNGOSIQPZEKA-CMVQRHDWSA-N	345.351	-1.553	30	1	EAEF	
C=C[C@@H](O)C#CC#C[C@@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356584645	MWOLLPDIFAGNPI-ZWFSKFMGSA-N	342.344	-2.892	30	1	EAEF	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N(O)C2CC2)[C@@H](O)[C@H]1O	49018884	FTJMTQKLNALXLD-QRIDJOKKSA-N	336.308	-1.592	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)[C@@H]3C(=O)C(N)=C(C)C(=O)[C@H]3N1C[C@@H]1N[C@@H]12	1772601653	PCWNZPACMPENIE-JEIACZMQSA-N	336.348	-1.506	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1O	28524590	PUBKMQWDLGZHAJ-WOQDCUAUSA-N	329.305	-1.449	30	1	EAEF	
N[C@@H](C=O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	2356285056	LAVNEPYDFKGEOD-SHWKLKKOSA-N	341.313	-5.588	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N/[C@@H](CO)C(=O)O	238733227	WXEQFJUHQIGKNG-QMUQDVGDSA-N	332.309	-2.078	30	1	EAEF	
COc1ccc(CC#N)cc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356419260	LPIOCMVRCPARCW-SEBNEYGDSA-N	325.317	-1.060	30	1	EAEF	
CC1=C(O)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C-]2COC(N)=O	263614508	LQVPZGHBDFKRML-LGRCCZASSA-N	334.308	-1.406	30	1	EAEF	in-vitro
O=c1[nH]c(N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)nc2ccccc12	5543406	ABFPWGAYLOTXPD-LXUPFWRPSA-N	338.320	-2.243	30	1	EAEF	
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]1[C@H](O)[C@@H]1O[C@@H]12	255261531	QSOURIMNVDBNHL-FCQGVERTSA-N	346.332	-2.563	30	1	EAEF	
C=CC[S@@](=O)C[C@@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O	13311059	HXMZQSGMNGTGGB-JORGUVCCSA-N	339.366	-3.235	30	1	EAEF	in-man
COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@@](O)(CO)C/C1=N\CC(=O)O	14677360	AWCCBAPDJMUZOK-ISFQGTDESA-N	346.336	-1.689	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)[C@H]3C(=O)C(N)=C(C)C(=O)[C@]34N1C[C@H]1[C@@H]2[N@@]14	2356703374	ZOVLGAUVYBEUSN-HWSFPKKNSA-N	334.332	-1.453	30	1	EAEF	
NC(=O)CC[C@H](N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)O	36519630	QFTRCUPCARNIPZ-CIUDSAMLSA-N	346.409	-1.931	30	1	EAEF	in-vivo
COc1ccc([C@@H](C#N)O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O	2356432104	PMSNJDIDVNYJRJ-JSLGZRHDSA-N	341.316	-1.218	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@H](C(=O)O)[C@@H](C)O	2356432256	VIZAVBQHHMQOQF-PHPRGHSWSA-N	346.336	-1.689	30	1	EAEF	
CC1(C)CC(=O)[C@@H]2O[C@@]2(C)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655872	OHLHJLGLXOHROA-SHHYZJHYSA-N	346.376	-1.424	30	1	EAEF	
CC(=CC[C@]12O[C@@H]1[C@@H]1O[C@H](C(C)(C)O)C[C@]1(O)[C@@H](O)[C@H]2O)CO	2356759940	LTQGCRJLFUTPOI-CRIAVCEWSA-N	330.377	-1.152	30	1	EAEF	
O=C1C(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)=C(O)O[C@@H]1[C@@H](O)CO	101319946	YEERNPPBIMJBHH-NRFSJRDRSA-N	338.265	-4.149	30	1	EAEF	
N[C@H](C=O)[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO	2356285054	LAVNEPYDFKGEOD-GGUIBLAHSA-N	341.313	-5.588	30	1	EAEF	
O=C(N[C@H]1CCNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168564	DGAUUFHQTQVNOS-YIZRAAEISA-N	334.354	-1.533	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@@H]1CCNC1)[C@H]1CN/C(=N/C(N)=O)N=C1O	66136627	KMLRRSMCDBXGII-GUBZILKMSA-N	339.400	-1.475	30	1	EAEF	
C=C[C@](C)(O)CCC=C(C)C(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	2356413548	CTSFPRLVGFROJO-GMCZJSKOSA-N	346.376	-1.007	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H]2[C@@H](O)[C@H]2O[C@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356537235	LCDJVEZJCUBANN-MYMDPMTDSA-N	332.305	-2.953	30	1	EAEF	
C=CC[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	5884139	IUGVDRFIVSPVGO-KXEMTNKZSA-N	333.337	-2.246	30	1	EAEF	in-vivo
C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C1	197445604	DDQFHDNWZKJNLC-XMZSPYBTSA-N	348.392	-1.729	30	1	EAEF	
C=C1c2c(ccoc2=O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O	2356660347	LDXOVBQGKFTZBZ-CSPJAVIGSA-N	342.300	-2.115	30	1	EAEF	
CC(=O)N[C@H]1[C@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)CO	28094952	ARAIBEBZBOPLMB-OKJJWFQTSA-N	332.313	-3.786	30	1	EAEF	
O=C[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O	33913780	ZJHWKVNJCGZAFV-JGWLITMVSA-N	340.114	-3.145	30	1	EAEF	in-vitro
C=C1C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H]12	238764543	UQQFHQBHLAWWSL-LNZMMSMFSA-N	330.333	-1.774	30	1	EAEF	
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(OC)nc(OC)nc32)[C@@H]1O	653729257	RMLKYCFSCMKGNJ-MEUNMDNISA-N	336.304	-1.542	30	1	EAEF	
C=C1[C@@H](O)C[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356627789	WGRQLYJSRDDYHN-WNYVTQKESA-N	330.333	-1.774	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@@H](C)O	14636558	VIZAVBQHHMQOQF-FCDTZTNESA-N	346.336	-1.689	30	1	EAEF	endogenous,in-man
C=CCNC(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29554845	MKTINQQMWSTYIS-NAKRPEOUSA-N	325.369	-1.454	30	1	EAEF	
CS(=O)(=O)OC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	49052611	WGRWZBLZSZEOIZ-JXOAFFINSA-N	340.285	-2.729	30	1	EAEF	
CO[C@@]12[C@@H](CC(=O)ON)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2N1C	148280969	MYHPMWBOETVNMT-MWNOWAMDSA-N	348.359	-1.597	30	1	EAEF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@H]12	169098408	NWIBSHFKIJFRCO-LXGPDDQYSA-N	334.332	-1.651	30	1	EAEF	
NC(=O)OCCNC(=O)CNC(=O)OC[C@@H](N)CCCN=C(N)N	28525647	VQRNDZTZWFMBNA-QMMMGPOBSA-N	347.376	-2.695	30	1	EAEF	
CN[C@@H](CCCCN)CC(=O)N(C)[C@H]1CN/C(=N/C(N)=O)N=C1O	66099114	QMDLDWGIELZCBH-UWVGGRQHSA-N	341.416	-1.085	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@@H](C(=O)O)[C@H](C)O	2356432257	VIZAVBQHHMQOQF-RJDJZPOESA-N	346.336	-1.689	30	1	EAEF	
O=C[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O)[C@H]1O	238783138	RZJPFBHCQVOHKY-LYOTWMBCSA-N	342.297	-5.555	30	1	EAEF	
C=C[C@H](O)C#CC#CCC[C@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356688457	AXGGXCIIAJXIPY-BVHJZBIISA-N	342.344	-2.545	30	1	EAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	40548085	XTLSZBMERPGKOO-PMJJJPILSA-N	328.277	-1.255	30	1	EAEF	
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1	40810732	DOSAKMAMRORHEC-OELUCEDZSA-N	344.276	-1.549	30	1	EAEF	
C=C[C@](C)(O)CCC=C(C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356664803	IVWJMPAYYVHQPT-NXNLJZTQSA-N	346.376	-1.007	30	1	EAEF	
COC1=C(N[C@H](CO)C(=O)O)C[C@@](O)(CO)CC1=NCC(=O)O	2356503444	HXQQNYSFSLBXQJ-NOZJJQNGSA-N	332.309	-2.078	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H]2[C@@H]2O[C@@H]2[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O	2356473395	DRXHHSWFGHCUGX-FMVWGUHMSA-N	332.305	-2.953	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@H]1[C@]2(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356666050	QMWLNTIQESGVGH-DIFUKEFMSA-N	328.361	-1.026	30	1	EAEF	
O=c1[nH]c(=O)n([C@@]2(S)CO[C@@H](COP(=O)(O)O)O2)cc1F	26730954	YYAYBDFFCLGAEU-XRGYYRRGSA-N	344.213	-1.302	30	1	EAEF	
CN(C(=O)C[C@@H](N)CSCCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26637753	VXYWEPWYGOBWJC-HTQZYQBOSA-N	345.429	-2.419	30	1	EAEF	
N[C@H](CCC(=O)N[C@@H](CS)C(=O)N[C@H](CO)C(=O)O)C(=O)O	257526985	QWHVIVGONDEFNH-QYNIQEEDSA-N	337.354	-2.845	30	1	EAEF	endogenous,in-man
COC1=CC(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(OC)[C@@H]3[C@H](CN21)N3C	14261647	HZZHHYICDCJCJK-MMJOLYBUSA-N	349.343	-1.011	30	1	EAEF	
O=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	2356515430	OUSLYTBGQGKTME-NCRDQOCNSA-N	343.288	-2.056	30	1	EAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	2356629573	JNOBKBGUTMPMPS-GYSPKTFISA-N	346.292	-3.657	30	1	EAEF	
Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1	195455886	CXAGJOLFYDCXSS-NODHEAKKSA-N	348.359	-1.528	30	1	EAEF	
CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2COC(N)=O	100805836	ZPAACYUKOOEKOS-UMNDVAMSSA-N	348.359	-1.573	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@H](C)O	104361181	VIZAVBQHHMQOQF-RVQYXGKWSA-N	346.336	-1.689	30	1	EAEF	in-man
O=c1[nH]c(N/N=C\[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)nc2ccccc12	195515110	ABFPWGAYLOTXPD-HFVVWADOSA-N	338.320	-2.243	30	1	EAEF	
COc1cc2c3c(c1)O[C@@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O	587455325	MGZHGMBAAFKOKK-UGKQIFIVSA-N	338.312	-1.545	30	1	EAEF	
N[C@@H](CCC(=O)N[C@H](CCC(=O)NO)C(=O)NCC(=O)O)C(=O)O	5579174	COLWINNLGMAANX-NKWVEPMBSA-N	348.312	-2.850	30	1	EAEF	
NC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	27843558	QLHNGUCBVCLFHA-FXQIFTODSA-N	330.349	-3.397	30	1	EAEF	
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)O1	85877412	QSBRHMSGMHEVKB-LTJZOOKLSA-N	348.392	-1.322	30	1	EAEF	in-man
N[C@@H](C[C@H]1C=CC(=O)C([C@@H](C[C@H](N)C(=O)O)C(=O)O)=C1)C(=O)O	100192401	RYBKCROHRDEYCF-NORCUCSASA-N	326.305	-1.027	30	1	EAEF	in-vitro
CN(C)/C=N/c1nc(O)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	105472182	WDAVDBAMSKZBEN-SLTDDVERSA-N	338.324	-1.635	30	1	EAEF	
CN(C(=O)C[C@@H](N)CC[C@H](N)CO)[C@H]1CN=C(/N=C(/N)O)NC1=O	26501441	VTXJFBXGSXNZCF-CIUDSAMLSA-N	343.388	-3.011	30	1	EAEF	
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(/C(N)=N\O)c2c(N)ncnc21	34815284	KCKBOTVZEMHWKU-CZTVAOSCSA-N	338.324	-1.890	30	1	EAEF	
N[C@@H](CC1=CC2=C(N[C@@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)C1=O)C(=O)O	71758416	UMYDVEVERVKIFT-BIIVOSGPSA-N	338.272	-1.732	30	1	EAEF	
O=C[C@H](O)[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	238734630	DKXNBNKWCZZMJT-CASKNLOSSA-N	342.297	-5.555	30	1	EAEF	
O=C1[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)Oc2ccccc2N1O	59066955	OUSLYTBGQGKTME-SCFAFGTESA-N	343.288	-2.056	30	1	EAEF	in-man
CC(C)(O)[C@]1(O)[C@H]2OC(=O)[C@H]1[C@]1(O)[C@@H]3O[C@@H]3[C@@H]3C(=O)O[C@H]2[C@]31C	2356647396	LHNKBXRFNPMIBR-VRIZGVMZSA-N	326.301	-1.896	30	1	EAEF	
C[S@](=O)CCCC(=NO)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356340315	LWGGAXGVBFJDJE-QWSFIZDNSA-N	343.423	-1.534	30	1	EAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	2356629575	JNOBKBGUTMPMPS-XOCXMCIUSA-N	346.292	-3.657	30	1	EAEF	
C[N+](C)(C)[C@H](Cc1cnc(SC[C@@H](O)[C@H](N)C(=O)O)[nH]1)C(=O)O	13403330	PBGMXJHSCOZVQW-BBBLOLIVSA-O	347.417	-1.024	30	1	EAEF	
N=c1nnc(=N)c1=NNc1ccc(S(=O)(=O)NN=C(N)N)cc1	140263268	HPQPYYFHFYJFAG-UHFFFAOYSA-N	336.341	-3.294	30	1	EAEF	
C[C@@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356501534	DINMMVOHYZBIQX-ONUJGHRUSA-N	346.332	-2.563	30	1	EAEF	
C[C@@]12COC(=O)[C@]1(O)[C@H]1C[C@@]3([C@@H](O)C(=O)O1)[C@]2(O)C[C@H]1O[C@@]13C	2356657910	XVTUVYDLNDXGDX-WYLDBVIXSA-N	326.301	-1.751	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85844025	IVWJMPAYYVHQPT-CLHXMGEBSA-N	346.376	-1.007	30	1	EAEF	in-man
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]1[C@H](O)[C@H]1O[C@@H]21	2356397745	QSOURIMNVDBNHL-JSUIOEECSA-N	346.332	-2.563	30	1	EAEF	
NN1C(=O)[C@@H](CCO)S/C1=N/N=C1/S[C@H](CCO)C(=O)N1N	5811458	IXGCXOQYZIQOOT-QZPGSHPTSA-N	348.410	-1.986	30	1	EAEF	
O=C(O[C@H]1CNOC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473213448	DHXJEQFETGTRCK-FXQIFTODSA-N	337.310	-1.564	30	1	EAEF	
C[C@H](O)[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=O	2356516196	OWIFTNHCDDEBHR-RXTILINESA-N	326.298	-4.527	30	1	EAEF	
NC(=O)[C@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)[C@@H]1C[C@@H](N)CN1	27764940	ZMBRPIKYQOGCJB-CSMHCCOUSA-N	330.349	-3.478	30	1	EAEF	
C=C(C)[C@H](NC(=O)[C@H](CO)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	2356626750	HZFOVGNLNOVYNI-QXEWZRGKSA-N	345.352	-1.809	30	1	EAEF	
N/C(=N/O)c1cn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)c2nc[nH]c(=O)c12	4830998	AOHCVNOFAKDTPE-GVTXSBRZSA-N	325.281	-2.569	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O	14416818	HXMZQSGMNGTGGB-YTWGMAPSSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
O=C(NC[C@H]1CCCN1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220527	IMKAABRWZRKIRO-UTLUCORTSA-N	348.381	-1.142	30	1	EAEF	
CSCC[C@H](NC(=O)CS)C(=O)N[C@@H](CC(=O)O)C(N)=O	49020103	UJOWAJHFKPNLAW-BQBZGAKWSA-N	337.423	-1.401	30	1	EAEF	
CC(=O)C1=C(N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@H]2NC1=O	299847644	KAYBJRADAGCVDB-GOEBONIOSA-N	334.376	-1.372	30	1	EAEF	
COC1=CC(=O)C2=C(C1=O)[C@H](COC(=N)O)[C@@]1(O)[C@@H]3[C@H](CN21)[N@]3C	1857536676	LYPUEVFGXHYKBG-LFYCHGPOSA-N	335.316	-1.251	30	1	EAEF	
CO[C@@H]([C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)[C@H](C)O	2356690985	SSUDMFCVNSOFTC-HNMAYXGKSA-N	340.325	-3.873	30	1	EAEF	
C=C[C@H](O)C#CC#CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741166	QMPXKTKJVYNHGV-XBORSJSESA-N	326.345	-1.863	30	1	EAEF	
CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)CC(=O)NO	95560917	WUOGXGXEBVNMFI-RQJHMYQMSA-N	333.297	-1.932	30	1	EAEF	
CON=C1C=C[C@@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)S1	2356330739	ACTUTXLTEUKWIN-YFCRFKFJSA-N	337.350	-2.247	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	28525267	NFMNOZIGMJLMPP-CCVNSYJLSA-N	328.277	-1.255	30	1	EAEF	
O=C(O[C@H]1CNOC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168660	DHXJEQFETGTRCK-CSMHCCOUSA-N	337.310	-1.564	30	1	EAEF	
CCOC(=O)[C@H]1O[C@@H](N2C[C@@H]([N+](=O)[O-])C(=O)NC2=O)[C@H](O)[C@@H]1O	169339168	YEXVXYYOTBODPS-PPSQTFTMSA-N	333.253	-2.807	30	1	EAEF	
CC=CC#CC#C[C@@H](O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356522231	ZSJISDBQQUKAGV-VJQRDGCPSA-N	326.345	-1.863	30	1	EAEF	
C=C(C)[C@]12CC[C@](C)(O1)[C@@H](O)[C@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356720113	QKTWROSLSKQSBD-QHKZIHHASA-N	346.376	-1.570	30	1	EAEF	
N[C@@H](CC(=O)O)C(=O)N(O)[C@@H](CC(=O)O)C(=O)N[C@@H]1CONC1=O	14856948	GMTYMQUIHZRFIY-JKUQZMGJSA-N	348.268	-3.604	30	1	EAEF	
CN[C@H]1[C@H](O[C@@H]2[C@@H](O)O[C@H](C)[C@]2(O)C=O)O[C@H](CO)[C@@H](O)[C@@H]1O	238744866	VYKMUJRNPMCAKV-NFVFYMDQSA-N	337.325	-3.934	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@H](O)[C@@H]4O[C@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356473396	DRXHHSWFGHCUGX-HJSCUINRSA-N	332.305	-2.953	30	1	EAEF	
CC(=O)/C=N/c1c(NC[C@H](O)[C@H](O)[C@H](O)CO)[nH]c(=O)[nH]c1=O	97654293	LXKLTDXEFFOBPT-CEKOQDAHSA-N	330.297	-3.159	30	1	EAEF	in-vitro
N[C@@H](CCC(=O)N[C@@H](CCC(=O)NO)C(=O)NCC(=O)O)C(=O)O	5579166	COLWINNLGMAANX-BQBZGAKWSA-N	348.312	-2.850	30	1	EAEF	
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CS)C(N)=O	49089214	BETBSBSKTMIORB-ONGXEEELSA-N	327.410	-1.007	30	1	EAEF	
CC=CC#CC#C[C@H](O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356522232	ZSJISDBQQUKAGV-XBORSJSESA-N	326.345	-1.863	30	1	EAEF	
O=C(CCNC(=O)Cn1cnc2c(N3CCOCC3)ncnc21)NO	221247907	SADJTBTWBBAWKW-UHFFFAOYSA-N	349.351	-1.325	30	1	EAEF	
C=CCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564881	KACIGIUXZUDKJK-BJDJZHNGSA-N	339.396	-1.112	30	1	EAEF	
CN1CCN=C1NC(=O)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	220090786	AIZGEXNWBOUBOP-YUMQZZPRSA-N	347.353	-1.593	30	1	EAEF	
C[C@@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@@]1(C)O)[C@H]23	253839256	HYJVJRUXRDRLNM-YSAQNPIBSA-N	341.360	-1.181	30	3	EAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@]3(O)[C@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	28536479	PWZIGDMWDRKORM-VYCVTKFNSA-N	348.304	-3.838	30	1	EAEF	
C=C[C@H]1[C@@H]2CCOCC2=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356669323	XPMOQRHVZJDUKK-MVBKDEDYSA-N	344.360	-1.118	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	28524222	FJGGJNPEAKCGMF-IYIVSOCYSA-N	326.349	-1.097	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)cccc21	85883397	AAYYJBZZHJNMEO-BPKBQXTESA-N	336.296	-1.200	30	1	EAEF	in-man
OC[C@H]1O[C@H](O[C@@H]2OCC[C@@H]3C[C@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356665297	BESOZFUJSSJTTH-TVXOPSKNSA-N	348.348	-2.685	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1	86035648	DDQFHDNWZKJNLC-ARKURMQASA-N	348.392	-1.729	30	1	EAEF	in-man
CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C=O)CC1	2356467320	LXDQFZXPMQXZJM-QMVSFRDZSA-N	346.376	-1.331	30	1	EAEF	
C[C@H](O[C@H]([C@H](N)C=O)[C@@H](O)[C@H](O)COP(=O)(O)O)C(=O)O	2356429883	ADPNCGPHHZFMFA-FMGWEMOISA-N	331.214	-2.798	30	1	EAEF	
CC(C)C[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)NO	13817891	IBMOFQFKHAZDSV-IUCAKERBSA-N	332.357	-1.669	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	40763463	NFMNOZIGMJLMPP-XURMZQLCSA-N	328.277	-1.255	30	1	EAEF	
CC[C@H](O)C#CC#CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356755880	BCUZRKNMPRUXAE-XBORSJSESA-N	328.361	-1.639	30	1	EAEF	
NC(=O)[C@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)[C@@H]1C[C@H](N)CN1	27767418	ZMBRPIKYQOGCJB-FXQIFTODSA-N	330.349	-3.478	30	1	EAEF	
O=C1[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	59202835	OUSLYTBGQGKTME-UJSNTIJXSA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	257525317	QSBRHMSGMHEVKB-HJQRXHNLSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
C/C=C/C#CC#C[C@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	95909788	ZSJISDBQQUKAGV-BNECLXABSA-N	326.345	-1.863	30	1	EAEF	biogenic,in-vitro
N[C@H](CO)[C@@H]1N/C(=N/[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2N)N[C@H]1C(=O)O	238739956	BYCFVOSRFIAVTN-CDHJRTEISA-N	349.344	-5.557	30	1	EAEF	
CC1(C)[C@@H]2C[C@H]1C(=O)C=C2CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	206194656	KKQXJIOGJNBCDL-UJWKSETCSA-N	328.361	-1.026	30	1	EAEF	
CC1(C)[C@@H]2C[C@@H]1C(CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=CC2=O	2356446482	KKQXJIOGJNBCDL-LKHULZDBSA-N	328.361	-1.026	30	1	EAEF	
C[C@@H]1O[C@H](O[C@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]1O	2356726078	WFLGVJKIXANXQV-FBPVMLRISA-N	326.298	-4.527	30	1	EAEF	
NC(=O)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1C#Cc1ccccc1	28969565	IXSVQAIOCGFUJM-DNNBLBMLSA-N	343.339	-1.007	30	1	EAEF	
C=C[C@@]1(CO)CC[C@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)O1	85877417	QSBRHMSGMHEVKB-YBGBCQKHSA-N	348.392	-1.322	30	1	EAEF	in-man
C#CCOc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n(CC#C)c1=O	1772651433	NIHQRRPQPGMMFQ-HKUMRIAESA-N	338.291	-1.756	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCN=C(N)N)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26494689	DURVDRFMWGKXQK-NKWVEPMBSA-N	341.376	-3.447	30	1	EAEF	
O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)=C(O)O[C@@H]1[C@@H](O)CO	101319942	YEERNPPBIMJBHH-WPOARKGTSA-N	338.265	-4.149	30	1	EAEF	
C[Si](C)(C)C#Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	195202039	QWIPJBIGVRYXIM-HNCHTBHHSA-N	340.408	-1.623	30	1	EAEF	
C[C@H](Cn1cnc2c(N)nc(N=C(N)N)nc21)OCP(=O)(O)O	29123771	YXLQOCSRBHVDTE-RXMQYKEDSA-N	344.272	-1.146	30	1	EAEF	
O=C1C=C[C@@](O)(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)C1	2356468321	XNAJLGDVEHBLFR-ZSKRZSBTSA-N	334.321	-3.186	30	1	EAEF	
NC(N)=NCCC[C@H](N)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	36471240	VKWVSTVMJRZUIT-RUPOHSLSSA-N	336.345	-4.290	30	1	EAEF	
C=C(CO)[C@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1	86035645	DDQFHDNWZKJNLC-DYSFSEATSA-N	348.392	-1.729	30	1	EAEF	in-man
C=C[C@@]1(CO)CC[C@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	257525318	QSBRHMSGMHEVKB-HSIFQEQRSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](CO)C(=O)O	14611893	WXEQFJUHQIGKNG-MZNRBSSJSA-N	332.309	-2.078	30	1	EAEF	endogenous,in-man
OC[C@@H]1O[C@H](O[C@H]2OC=C[C@@H]3[C@@H](O)[C@H]4O[C@H]4[C@@H]32)[C@@H](O)[C@H](O)[C@H]1O	255207569	DRXHHSWFGHCUGX-ZGQPBJAJSA-N	332.305	-2.953	30	1	EAEF	
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1	169365612	DOSAKMAMRORHEC-JOLCOIQMSA-N	344.276	-1.549	30	1	EAEF	
CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12	2356579175	SHZMGEYUEFSGCM-LTCUVOORSA-N	328.317	-1.566	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c(O)c1	28521908	WXJDKATXSOWLAC-HTQFZECQSA-N	329.305	-1.449	30	1	EAEF	
N#CCCCC#Cc1c(C(N)=O)ncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49019890	HWAYRHGRLWEYOQ-BPGGGUHBSA-N	334.332	-1.361	30	1	EAEF	
O=C(/C=C/c1ccc(O)cc1)[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)C[C@]1(O)C(=O)O	238751977	KMFIWPXZGWEWSU-QCTOLKOASA-N	338.312	-1.107	30	1	EAEF	
CC1(C)CC(=O)[C@H]2O[C@@]2(C)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655870	OHLHJLGLXOHROA-ASSRNNMLSA-N	346.376	-1.424	30	1	EAEF	
O=c1nc(N/N=C\[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)[nH]c2ccccc12	31895030	ABFPWGAYLOTXPD-OJSYOODDSA-N	338.320	-2.243	30	1	EAEF	
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)C=O	2356312991	PHURBDDXHHXSRV-SOCMMLMMSA-N	340.281	-4.435	30	1	EAEF	
COC1=CC(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C(OC)C1=O	2356609483	BUZXMDVYNQXDSY-NGBXAZJTSA-N	332.305	-2.185	30	1	EAEF	
N/C(=N\O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(NO)c12	31947622	VDRNYDUPTSTUEE-QNQPIPONSA-N	340.296	-2.062	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	40548022	QUSHWGZQXAECSJ-CRLYRCQXSA-N	340.332	-1.205	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C1	86035654	DDQFHDNWZKJNLC-GHUSENRMSA-N	348.392	-1.729	30	1	EAEF	in-man
CO[C@H]1CC(=O)C=C[C@@]1(O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238741203	ZCRNWBJHIJCNDA-NKHBCJIASA-N	348.348	-2.532	30	1	EAEF	
C[C@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	12496951	WFLGVJKIXANXQV-FJTMXHNISA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
C[C@@H]1O[C@@H](O[C@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O	100891681	WFLGVJKIXANXQV-KWMLHIKPSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
COc1cc2c3c(c1)O[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O	587455322	MGZHGMBAAFKOKK-FKFQURJGSA-N	338.312	-1.545	30	1	EAEF	
CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@]3C)[C@]1(O)[C@H]2CC(=O)ON	1857535949	SHHLNBHFDRJNDH-RLBAQZGTSA-N	334.332	-2.251	30	1	EAEF	
NCCCC[C@H](NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])C(N)=O	13799765	PAHCIPUHHRNMSE-IUCAKERBSA-N	346.392	-2.711	30	1	EAEF	
C=C[C@](C)(O)CCC=C(CO)C(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@H](O)[C@H]1O	2356475478	FFLUVDOEJBDSSD-IUSDNUALSA-N	346.376	-1.007	30	1	EAEF	
NC(=O)[C@@H]1C[C@H](N)CN1C(=O)[C@H](N)CCCN/C(N)=N\[N+](=O)[O-]	27764384	QLHNGUCBVCLFHA-RNJXMRFFSA-N	330.349	-3.397	30	1	EAEF	
COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	2356431786	FOYFJRGETORFTE-ISCISZPOSA-N	332.265	-3.999	30	1	EAEF	
C=C(CO)[C@H]1CC[C@H](CO)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356667162	JTCZJEHFXLPGNO-SWZHBTMOSA-N	348.392	-2.014	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@H](C)O	86034625	VIZAVBQHHMQOQF-HIGOCQPLSA-N	346.336	-1.689	30	1	EAEF	in-man
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	28523778	DOSAKMAMRORHEC-CXFFXRLESA-N	344.276	-1.549	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@H]1CO	38223609	SOWRVDSZMRPKRG-HPBBEDFSSA-O	335.376	-3.758	30	1	EAEF	
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]1[C@@H](O)[C@H]1O[C@@H]21	2356397747	QSOURIMNVDBNHL-OZGTWXQSSA-N	346.332	-2.563	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	28524224	FJGGJNPEAKCGMF-MJNBAMICSA-N	326.349	-1.097	30	1	EAEF	
O=C(NC1[C@H]2CNC[C@H]12)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	207136153	NIWSIMMJVLMXQJ-JBDRJPRFSA-N	346.365	-1.677	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	28523465	QGTUTPLFQHSZPS-CCVNSYJLSA-N	328.277	-1.255	30	1	EAEF	
CO/N=C(/C(=O)N[C@@H]1CN(/N=C/C(=O)O)C1=O)c1csc(N)n1	29466934	QXNRCQTYCRNGMW-UZQBOWOASA-N	340.321	-1.527	30	1	EAEF	
OC/C=C/C#CC#CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	34028462	ZAHYJZSMWIWHDJ-CUVLSRRSSA-N	326.345	-1.862	30	1	EAEF	biogenic,in-vitro
C=C(CO)[C@H]1CC[C@H](CO)[C@H]1CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	238754358	JTCZJEHFXLPGNO-FITUIQTESA-N	348.392	-2.014	30	1	EAEF	
C=CCC(=NS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	2356873656	YHOBVOQYONIVDM-YXCNIWHNSA-N	343.379	-1.703	30	1	EAEF	
C#Cc1cn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	36175595	AQSXPZRJLDMJIN-XHNCKOQMSA-N	332.205	-1.724	30	1	EAEF	
COC1=CC(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C=C(OC)C1=O	2356609484	BUZXMDVYNQXDSY-RMTQGBGSSA-N	332.305	-2.185	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1	14588914	DDQFHDNWZKJNLC-PFDUWCAJSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
OC[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1OC=C[C@@H]2[C@H](O)[C@@H]3O[C@@H]3[C@H]12	2356494258	XCHBXOJVNFFCJZ-PYPOFZJJSA-N	346.332	-3.318	30	1	EAEF	
C=CCC(=NS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356873654	YHOBVOQYONIVDM-IOSJIYNYSA-N	343.379	-1.703	30	1	EAEF	
CN(C(=O)C[C@@H](N)C[C@H](O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26484988	PYGRXKCEJUSDAC-DJLDLDEBSA-N	343.388	-3.011	30	1	EAEF	
CC1=CC(=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	238774255	JTUGHXNNGQUKSQ-KRHQZQSWSA-N	344.316	-2.451	30	1	EAEF	
CO[C@@]12[C@@H](CC(=O)ON)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1[C@@H]2[N@]1C	1857627500	MYHPMWBOETVNMT-QHFQWDOZSA-N	348.359	-1.597	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1	28523463	QGTUTPLFQHSZPS-JKDFJRTMSA-N	328.277	-1.255	30	1	EAEF	
NC(N)=NC[C@@H](O)C[C@@H](NCCN[C@@H](CC(=O)O)C(=O)O)C(=O)O	22930761	UULSZYUKAFTXQP-RNJXMRFFSA-N	349.344	-3.429	30	1	EAEF	in-vitro
OC[C@@H](OS(O)(O)O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	103557029	NYHLFUZUGSMDBR-POMLUIAQSA-O	337.392	-2.422	30	1	EAEF	in-vitro
C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O	14416822	HXMZQSGMNGTGGB-OZVKIFBTSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
O=[N+]([O-])c1ccc(N/N=C(\CO)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])c1	14649488	ROLPVNVIFWLNOC-BOXMQNKESA-N	330.253	-1.023	30	1	EAEF	
CC(C)(C)C(=O)/N=C1/NC(=O)[C@]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)S1	299836696	HKVNUUXAUSISRE-NSVDPMLQSA-N	348.377	-2.052	30	1	EAEF	
C#Cc1nc(N)c2ncn([C@@H]3O[C@H](C(=O)NCC)[C@@H](O)[C@H]3O)c2n1	12405610	WSLFXMBRRBTFCE-AEISUSGSSA-N	332.320	-1.855	30	1	EAEF	
N=C(NO)c1nn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)c1/C(N)=N/O	49017091	DVGZCWPQLSYPDX-OATGZTGMSA-N	331.289	-3.525	30	1	EAEF	
O=C1[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	257507110	OUSLYTBGQGKTME-RYWDZSIKSA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
CC/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	30160141	ZPFWVYNZDHOONR-FFMYTFGHSA-N	347.367	-1.938	30	1	EAEF	in-vitro
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	2356606631	XAVVYCXXDSHXNS-PXDIWLJWSA-N	326.298	-4.527	30	1	EAEF	
NC(=O)[C@H]1C[C@@H](N)CN1C(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-]	27842131	QLHNGUCBVCLFHA-BWZBUEFSSA-N	330.349	-3.397	30	1	EAEF	
C[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCS)C(=O)O	87520441	QAVAJALPZPZBJL-GUBZILKMSA-N	334.442	-1.163	30	1	EAEF	in-vitro
COc1ccc([C@H](C#N)O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O	2356432105	PMSNJDIDVNYJRJ-ZLCQRPCESA-N	341.316	-1.218	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1O	253639139	PUBKMQWDLGZHAJ-YXTXHJGTSA-N	329.305	-1.449	30	1	EAEF	
C=CCn1c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21	11680983	VDCRFBBZFHHYGT-IZCITBFLSA-N	339.308	-2.734	30	1	EAEF	
CC(=O)N[C@@H]1[C@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@@H](O)[C@H](O)CO	253636725	ARAIBEBZBOPLMB-MHEFBVQGSA-N	332.313	-3.786	30	1	EAEF	
CCCCCO[C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	203418258	YLCBOXGFJLJCND-KPHNYEMJSA-N	325.447	-1.370	30	1	EAEF	
O=C(N[C@H]1[C@@H]2CNC[C@@H]21)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220547	NIWSIMMJVLMXQJ-GENCIFFESA-N	346.365	-1.677	30	1	EAEF	
C=C[C@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356678068	QSBRHMSGMHEVKB-SVXAWLJOSA-N	348.392	-1.322	30	1	EAEF	
C=CCn1c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	27108671	VDCRFBBZFHHYGT-POYYFJLXSA-N	339.308	-2.734	30	1	EAEF	
NC(N)=NCCCC(NC(=O)[C@H](N)CCCN=C(N)N)=C(O)O	100385878	LEANBUSNEHJUBA-SSDOTTSWSA-N	330.393	-2.178	30	1	EAEF	endogenous,in-vitro
C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NC(C)=O)NC2=O	13555311	NBONWZVENKAJGC-HBEIAFGSSA-N	343.336	-3.158	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@@H](O)[C@H]1CO	135931075	SOWRVDSZMRPKRG-LMLBEFMVSA-O	335.376	-3.758	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O	2356455413	RZJPFBHCQVOHKY-WMKNHIOJSA-N	342.297	-5.555	30	1	EAEF	
C=CCN(C)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560218	KACIGIUXZUDKJK-RHYQMDGZSA-N	339.396	-1.112	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cccc21	14492417	AAYYJBZZHJNMEO-TXUJKZCJSA-N	336.296	-1.200	30	1	EAEF	endogenous,in-man
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](COC(N)=O)[C@@]1(O)[C@H]3N[C@H]3CN21	59199342	HWAMEYCELAKKRY-WUDYKRTCSA-N	335.316	-1.618	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3[C@@H]4O[C@H]4[C@H](O)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356537237	LCDJVEZJCUBANN-XRJWUIPWSA-N	332.305	-2.953	30	1	EAEF	
O=C1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)Oc2ccccc2N1O	14443665	OUSLYTBGQGKTME-XPHFHVISSA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
C[C@H](N)CC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26497312	RSOWUVVRECQPGV-XHNCKOQMSA-N	327.389	-1.983	30	1	EAEF	
N[C@@H](CCC(=O)N[C@@H](CS)C(=O)N[C@H](CO)C(=O)O)C(=O)O	85808358	QWHVIVGONDEFNH-XVMARJQXSA-N	337.354	-2.845	30	1	EAEF	in-man
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O	14416816	HXMZQSGMNGTGGB-VTBYNGMXSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@@H](CO)C(=O)O	2356547044	WXEQFJUHQIGKNG-TVQRCGJNSA-N	332.309	-2.078	30	1	EAEF	
CC1=CC(=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	2356599707	JTUGHXNNGQUKSQ-GRYLMKMBSA-N	344.316	-2.451	30	1	EAEF	
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	2356307251	QHBKKIDYKQWITD-CKNGYJANSA-N	340.281	-4.435	30	1	EAEF	
C[C@H](O[C@H]([C@H](N)C=O)[C@H](O)[C@@H](O)COP(=O)(O)O)C(=O)O	2356429881	ADPNCGPHHZFMFA-BZCSJUTBSA-N	331.214	-2.798	30	1	EAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	28525614	XTLSZBMERPGKOO-KYIKHKOZSA-N	328.277	-1.255	30	1	EAEF	
CC(=CC[C@]12O[C@@H]1[C@@H]1O[C@H](C(C)(C)O)C[C@]1(O)[C@H](O)[C@H]2O)CO	2356759939	LTQGCRJLFUTPOI-BLXZSPOESA-N	330.377	-1.152	30	1	EAEF	
N#Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]1F	71295164	IHHSTIOGWBAKSZ-ZOQUXTDFSA-N	335.184	-1.818	30	1	EAEF	
C=C1[C@H](O)[C@@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356450303	NZUIJGRMABSDPS-OBFDKUCESA-N	346.332	-2.803	30	1	EAEF	
C[S@](=O)CCCC(=NO)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	2356340314	LWGGAXGVBFJDJE-JPKMKTEYSA-N	343.423	-1.534	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCCCN)[C@H]1CN=C(/N=C(/N)O)NC1=O	26491527	XZADXHLFRKVBKO-IUCAKERBSA-N	327.389	-1.982	30	1	EAEF	
C=CCNC(=O)[C@H](NC(C)=O)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29554848	MKTINQQMWSTYIS-XWLWVQCSSA-N	325.369	-1.454	30	1	EAEF	
NC(=O)[C@H]1NCC[C@H]1NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	35064499	QHTNDEDTVTZXFK-RNJXMRFFSA-N	330.349	-3.478	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)cccc21	14492414	AAYYJBZZHJNMEO-NZBFACKJSA-N	336.296	-1.200	30	1	EAEF	endogenous,in-man
C=C[C@@]1(CO)CC[C@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1	39052012	QSBRHMSGMHEVKB-IWVDPLHQSA-N	348.392	-1.322	30	1	EAEF	
C[C@H](Cn1c(N=C(N)N)nc(N)c2ncnc1-2)OCP(=O)(O)O	101458930	ODIYKRZBDNCIIW-RXMQYKEDSA-N	344.272	-1.195	30	1	EAEF	
NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)CS)C(N)=O	49036057	HTIPHGXJCVSUGB-YUMQZZPRSA-N	333.414	-2.625	30	1	EAEF	
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CS)C(N)=O	49053418	OKRKVWOREFRELQ-WPRPVWTQSA-N	346.457	-1.710	30	1	EAEF	
C[C@@H]1O[C@H](O[C@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@@H]1O	2356726079	WFLGVJKIXANXQV-HCPRZREOSA-N	326.298	-4.527	30	1	EAEF	
C#C[C@]1(CO)O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@@H]1O	5828059	YFZZOJANIQVEMZ-VAOFZXAKSA-N	331.122	-1.057	30	1	EAEF	
N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O	84466472	BFNJASVAESHDRX-RYUDHWBXSA-N	348.359	-1.304	30	1	EAEF	
O=C[C@H](OC(=O)c1cc(O)c(O)c(O)c1)[C@H](O)[C@@H](O)[C@@H](O)CO	2356533643	NBZMHIIBAFCDKV-QSFUFRPTSA-N	332.261	-2.397	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@@H](C(=O)O)[C@@H](C)O	14636562	VIZAVBQHHMQOQF-LXFCGWHCSA-N	346.336	-1.689	30	1	EAEF	endogenous,in-man
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O	230162859	HXMZQSGMNGTGGB-GZYYSHDWSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
C[C@@]12O[C@@H]1[C@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356501533	DINMMVOHYZBIQX-KTZDGSDWSA-N	346.332	-2.563	30	1	EAEF	
C[C@@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	26376014	VDHYEXXQSBQMES-KWBJFWJASA-N	335.320	-2.248	30	1	EAEF	
CC1(C)CC(=O)[C@@H]2O[C@]2(C)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655871	OHLHJLGLXOHROA-RWQOYFMZSA-N	346.376	-1.424	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	13549475	UBTOEGCOMHAXGV-UVKBWZDVSA-N	333.340	-2.328	30	1	EAEF	in-vitro
COc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(O)c1	28521899	WXJDKATXSOWLAC-WBAOBFPKSA-N	329.305	-1.449	30	1	EAEF	
C[C@@H](O)[C@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356313314	WHLKVYNTAYQTFO-FPQZDUEVSA-N	326.298	-4.527	30	1	EAEF	
N[C@@H]1CNC[C@H]1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168575	BPLPPYASQZMMEI-BGZDPUMWSA-N	349.369	-2.595	30	1	EAEF	
O=C(O)CC1=C(c2c(CC(=O)O)[nH]c(=O)c(O)c2O)NC(=O)C1=O	14688729	NHGFIXIYKNHGSJ-UHFFFAOYSA-N	338.228	-1.702	30	1	EAEF	biogenic
C[C@@H](O)[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=O	238774619	OWIFTNHCDDEBHR-IQVNANRASA-N	326.298	-4.527	30	1	EAEF	
C=C1[C@@H](O)C[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356627787	WGRQLYJSRDDYHN-DELVKPDFSA-N	330.333	-1.774	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@H](CO)C(=O)O	2356844192	NSHOGJPEPQJUQQ-QUUYKZCZSA-N	348.308	-3.107	30	1	EAEF	
CC(=O)N[C@@H]1[C@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)CO	28094948	ARAIBEBZBOPLMB-OLBICGFXSA-N	332.313	-3.786	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	261095874	FJGGJNPEAKCGMF-AHQBQDGMSA-N	326.349	-1.097	30	1	EAEF	
C=C1[C@@H](O)C[C@@H]2C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	238774343	WGRQLYJSRDDYHN-AANXOZMMSA-N	330.333	-1.774	30	1	EAEF	
C=CCC(=NS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	2356873653	YHOBVOQYONIVDM-INDGLOLGSA-N	343.379	-1.703	30	1	EAEF	
Cc1ccc(/C=C2/N/C(=N\N=C/[C@@H](O)[C@H](O)[C@@H](O)CO)NC2=O)cc1	195455880	CXAGJOLFYDCXSS-QRTMREFWSA-N	348.359	-1.528	30	1	EAEF	
C=CCN1C(=O)N[C@@H]2[C@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O	227174431	ZQASBIGTGNQSJA-DTWKUNHWSA-N	338.411	-1.613	30	1	EAEF	
CC(=O)N[C@H](C(=O)N1CCCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564592	HGKXDQMONGAZJI-BJDJZHNGSA-N	339.396	-1.134	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@@H](C)C(=O)O	2356797670	OGXNUIXDQMTPKX-RDCWZLFFSA-N	332.309	-2.079	30	1	EAEF	
O=C[C@H](NS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H](O)COS(=O)(=O)O	59207069	BQSMUQUKNCGJCT-SLPGGIOYSA-N	339.300	-4.152	30	1	EAEF	in-vitro
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)CS)C(N)=O	49032006	CPDKJOUYOTVNJJ-IUCAKERBSA-N	332.426	-1.317	30	1	EAEF	
CO[C@@]12[C-](COC(N)=O)C3=C(C(=O)C(C)=C(O)C3=O)N1C[C@@H]1N[C@@H]12	263614724	SEDXDKBKHLUKRM-QWPQFENESA-N	334.308	-1.094	30	1	EAEF	in-vitro
N[C@H](CCC(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)O)C(=O)O	15261438	QWHVIVGONDEFNH-VQVTYTSYSA-N	337.354	-2.845	30	1	EAEF	endogenous,in-man
NCCC[C@@H](NC(=O)[C@@H](N)CCCN/C(N)=N/[N+](=O)[O-])C(N)=O	13799773	HKTCWNTUEVRSHC-JGVFFNPUSA-N	332.365	-3.101	30	1	EAEF	
O=C1[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)Oc2ccccc2N1O	14443663	OUSLYTBGQGKTME-JNDGTBPLSA-N	343.288	-2.056	30	1	EAEF	endogenous,in-man
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@@H]1CO	34005823	SOWRVDSZMRPKRG-PFJMMIAPSA-O	335.376	-3.758	30	1	EAEF	
COC1=CC(=O)N[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	238775434	FOYFJRGETORFTE-IINVYNELSA-N	332.265	-3.999	30	1	EAEF	
C#CCSc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	17218799	DOQVBNTWSDZPPA-QRKAXHLRSA-N	337.361	-1.255	30	1	EAEF	
O=C(N[C@H]1CCCNC1)[C@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	169684713	OMBRYYNMYXZMPQ-IVZWLZJFSA-N	348.381	-1.142	30	1	EAEF	
C=CCN1C(=O)N[C@@H]2[C@@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O	227174423	ZQASBIGTGNQSJA-IUCAKERBSA-N	338.411	-1.613	30	1	EAEF	
C[C@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356590072	CSJDAUVLWGFTHJ-KSJPOJJUSA-N	340.281	-4.435	30	1	EAEF	
C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097558	UBTOEGCOMHAXGV-VECAIYLJSA-N	333.340	-2.328	30	1	EAEF	in-vitro
Nc1nc(C#CCCO)nc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	26509394	OQUVZIRDVQRJQH-MYMXGEOPSA-N	335.320	-2.246	30	1	EAEF	
NC(=O)C[C@H](NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])C(N)=O	26951411	IEIOMLYCWDWBRV-WDSKDSINSA-N	332.321	-3.965	30	1	EAEF	
CO[C@@H]([C@H](C=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](C)O	238768488	SSUDMFCVNSOFTC-JQLMQTADSA-N	340.325	-3.873	30	1	EAEF	
O=C(NC[C@@H]1CCCN1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220522	IMKAABRWZRKIRO-GUBZILKMSA-N	348.381	-1.142	30	1	EAEF	
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]1[C@@H](O)[C@H]1O[C@@H]21	255261532	QSOURIMNVDBNHL-SANLAASLSA-N	346.332	-2.563	30	1	EAEF	
NC(=O)[C@H]1C[C@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])CN1	12501566	IUFRDGFKAVLPFZ-BIIVOSGPSA-N	330.349	-3.478	30	1	EAEF	
NC(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)[C@@H]1C[C@H](N)CN1	27765721	ZMBRPIKYQOGCJB-RNJXMRFFSA-N	330.349	-3.478	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	257403603	DDQFHDNWZKJNLC-IRGWDELNSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
CCNCCC[C@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26493071	WEQRWZCUMNFAKW-VHSXEESVSA-N	341.416	-1.721	30	1	EAEF	
COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@@H]3O)c2n1	26501620	VGOZRQUUWDMUGS-MYMXGEOPSA-N	335.320	-1.982	30	1	EAEF	
C[C@@H](NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-])P(=O)(O)O	27322921	MRLBPFGHTJWKGZ-WDSKDSINSA-N	326.250	-2.170	30	1	EAEF	
OC[C@H]1O[C@@H](NC(=S)N/N=C/c2ccncc2)[C@H](O)[C@@H](O)[C@@H]1O	58632232	KHZWKRXKMLEULJ-XYUJZHSNSA-N	342.377	-2.321	30	1	EAEF	in-vitro
O=C(C=Cc1ccc(O)c(O)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO	2356826008	HUXWBFFRUHXOBU-UQOMUDLDSA-N	342.300	-2.315	30	1	EAEF	
C[C@@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	12496947	WFLGVJKIXANXQV-ILKLPZANSA-N	326.298	-4.527	30	1	EAEF	endogenous,in-vitro
C=C1CCO[C@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NOC)NC2=O	13555315	WLAWYSHAFCVRDB-KNDHEWATSA-N	331.325	-3.143	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCC(N)=O)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26487454	OGFBWCNZMMOXFG-NKWVEPMBSA-N	327.345	-2.845	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OCC[C@H]3C[C@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356665298	BESOZFUJSSJTTH-UFCFCBOSSA-N	348.348	-2.685	30	1	EAEF	
NC(=O)CC[C@H](NC(=O)CS)C(=O)N[C@@H](CC(=O)O)C(N)=O	49046354	VZELJYBMJVZAAL-WDSKDSINSA-N	334.354	-2.889	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	28525365	QUSHWGZQXAECSJ-KEVVVLCNSA-N	340.332	-1.205	30	1	EAEF	
C=C(C)[C@@H](NC(=O)[C@H](CO)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	238740216	HZFOVGNLNOVYNI-ATZCPNFKSA-N	345.352	-1.809	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)CC1=N[C@@H](CO)C(=O)O	2356547045	WXEQFJUHQIGKNG-ZANVPECISA-N	332.309	-2.078	30	1	EAEF	
C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1NCN/C2=N\OCCO	49089144	PZSDDHJJIUCVOU-NHULRPGXSA-N	343.340	-2.472	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)CC1=N[C@@H](C(=O)O)[C@@H](C)O	2356432255	VIZAVBQHHMQOQF-OVAUKMOZSA-N	346.336	-1.689	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	28525264	NFMNOZIGMJLMPP-KYIKHKOZSA-N	328.277	-1.255	30	1	EAEF	
CC(C)=NNc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	49089930	ROZXUSPCGRZYRJ-PPSWKLDYSA-N	337.340	-1.172	30	1	EAEF	
CC(=O)C1=C(N)C2=C3CCCN3[C@](O)(N3CCOCC3)[C@@H]2NC1=O	103167536	KAYBJRADAGCVDB-GDBMZVCRSA-N	334.376	-1.372	30	1	EAEF	
O=C(NC1[C@@H]2CNC[C@H]12)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168597	NIWSIMMJVLMXQJ-NTUKYRGVSA-N	346.365	-1.677	30	1	EAEF	
OC[C@@H](OS(O)(O)O)[C@@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	136238183	NYHLFUZUGSMDBR-ITGKUZSGSA-O	337.392	-2.422	30	1	EAEF	in-vitro
C=CCN1C(=O)N[C@H]2[C@@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O	227174427	ZQASBIGTGNQSJA-BDAKNGLRSA-N	338.411	-1.613	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@H](CO)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356667160	JTCZJEHFXLPGNO-HBMRCODRSA-N	348.392	-2.014	30	1	EAEF	
CC(C)(O)[C@@H]1CC=C(C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C=O)CC1	2356467319	LXDQFZXPMQXZJM-HTOAHKCRSA-N	346.376	-1.331	30	1	EAEF	
NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CS	49052281	GPWXYOCDEKJLPK-YUMQZZPRSA-N	343.365	-2.188	30	1	EAEF	
C[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]1O	238767408	CSJDAUVLWGFTHJ-QHLZPBRMSA-N	340.281	-4.435	30	1	EAEF	
C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C2COCC[C@H]21	238754209	XPMOQRHVZJDUKK-SWZHBTMOSA-N	344.360	-1.118	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@@](C)(O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	2356694712	DDQFHDNWZKJNLC-AELAOQJQSA-N	348.392	-1.729	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NS(C)(=O)=O)CN12	2356824549	GVWUBTJUMAXUPV-QJPTWQEYSA-N	342.421	-1.994	30	1	EAEF	
O=C1[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	2356515432	OUSLYTBGQGKTME-RYDVVQTCSA-N	343.288	-2.056	30	1	EAEF	
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]1O	238731493	HOQQYXKVPFPPPB-ADEQLDFJSA-N	332.305	-2.951	30	1	EAEF	
C=C[C@]1(CO)CC[C@H](C(C)(C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356678069	QSBRHMSGMHEVKB-TWWCOLMVSA-N	348.392	-1.322	30	1	EAEF	
CC=CC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)=C1C(=O)CO[C@@H]1CO	2356722767	PFKWBPMZMDYQSI-PKXYQHEUSA-N	330.333	-1.379	30	1	EAEF	
O=C[C@@H](O)[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)[C@H](O)CO	139865740	DKXNBNKWCZZMJT-LRYUFDBCSA-N	342.297	-5.555	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(O)c1	40540549	WXJDKATXSOWLAC-SSCZUBPHSA-N	329.305	-1.449	30	1	EAEF	
O=C(NO)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356618407	RJAMCDTUOSNOFS-JJKYCLHCSA-N	329.261	-1.923	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@H](C(=O)O)[C@@H](C)O	100822343	VIZAVBQHHMQOQF-GPPKITKBSA-N	346.336	-1.689	30	1	EAEF	endogenous,in-man
C=C[C@@](C)(O)CCC=C(C)C(=O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2356413550	CTSFPRLVGFROJO-PFOYJRTASA-N	346.376	-1.007	30	1	EAEF	
C=C1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@@]2(O)C[C@H]1C2(C)C	2356288117	WVEXFNOOUNMXMC-JKHVCSBRSA-N	330.377	-1.091	30	1	EAEF	
NCCCC[C@H](N)C(=O)N[C@@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O	26846641	NRDGOJQPHWAEES-IUCAKERBSA-N	346.392	-2.711	30	1	EAEF	
N[C@H](C(=O)NO)C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	35274059	JXKBMXORIWWTPP-GFCCVEGCSA-N	347.375	-1.226	30	1	EAEF	
NC(=O)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C#Cc1ccccc1	49015886	FBWYQTFVFJWJER-MMTVNHQJSA-N	343.339	-1.007	30	1	EAEF	
NC(=O)[C@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)[C@H]1C[C@@H](N)CN1	95539819	ZMBRPIKYQOGCJB-GJMOJQLCSA-N	330.349	-3.478	30	1	EAEF	
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	2356606630	XAVVYCXXDSHXNS-CRNBXNCFSA-N	326.298	-4.527	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3C[C@@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356737225	DHSHYQJABUIJDG-ZDNQHPGKSA-N	346.332	-2.561	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	31976997	SOWRVDSZMRPKRG-ITGKUZSGSA-O	335.376	-3.758	30	1	EAEF	
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	255207567	DRXHHSWFGHCUGX-IMOIEGEGSA-N	332.305	-2.953	30	1	EAEF	
NC(=O)[C@@H]1C[C@@H](NC(=O)[C@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1	13559332	IUFRDGFKAVLPFZ-PRJMDXOYSA-N	330.349	-3.478	30	1	EAEF	
C#CCn1c(=O)c(CO)cn([C@@H]2O[C@H](CO)[C@@H](OC)[C@H]2O)c1=O	1772622286	XXDKKAJMEJYZFD-PRULPYPASA-N	326.305	-2.599	30	1	EAEF	
C=CCn1c(=O)n([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21	11680998	VDCRFBBZFHHYGT-GIDNPQMSSA-N	339.308	-2.734	30	1	EAEF	
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1C#Cc1ccccc1	32062327	FBWYQTFVFJWJER-DNNBLBMLSA-N	343.339	-1.007	30	1	EAEF	
O=C(O)CCC#CC#CCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741910	BAGGOTACEXSWCA-GAUGTXIDSA-N	342.344	-1.545	30	1	EAEF	
C#C[C@]1(CO)O[C@@H](n2cc(Br)c(=O)[nH]c2=O)C[C@H]1O	27519797	YFZZOJANIQVEMZ-SOCHQFKDSA-N	331.122	-1.057	30	1	EAEF	
CO[C@H]1[C@@H](C(=O)O)O[C@H](O[C@H](C=O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O	2356500671	ZDDGWONHTPYERI-PXIIBTLXSA-N	340.281	-4.169	30	1	EAEF	
CCCN(C)C(=O)[C@@H]1OC(C(=O)O)=C[C@@H](N=C(N)N)[C@H]1NC(C)=O	6778874	QPJWMZVTNXFTKV-FBIMIBRVSA-N	341.368	-1.631	30	1	EAEF	
O=C(NC1[C@@H]2CNC[C@@H]12)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	473220548	NIWSIMMJVLMXQJ-KDXUFGMBSA-N	346.365	-1.677	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238750212	IVWJMPAYYVHQPT-UNFYXLBOSA-N	346.376	-1.007	30	1	EAEF	
C[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N1CCC[C@@H]1C(=O)O	27311554	DBKNLHKEVPZVQC-LPEHRKFASA-N	342.400	-2.052	30	1	EAEF	
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@H]12	2356397750	QSOURIMNVDBNHL-RJDBQBGESA-N	346.332	-2.563	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NS(C)(=O)=O)CN21	2356824550	GVWUBTJUMAXUPV-UTUOFQBUSA-N	342.421	-1.994	30	1	EAEF	
CO[C@H]1[C@@H](C(=O)O)O[C@H](O[C@H](C=O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O	2356500673	ZDDGWONHTPYERI-VTVQBHGXSA-N	340.281	-4.169	30	1	EAEF	
C=C[C@@](C)(O)CCC=C(C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356664804	IVWJMPAYYVHQPT-PFOYJRTASA-N	346.376	-1.007	30	1	EAEF	
CC1=CC(=O)[C@@H]2C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@]2(C)CO	95560590	HDRABVWFLVVWRI-VCRUDBCKSA-N	344.360	-1.911	30	1	EAEF	
O=C1C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)=C(O)O[C@@H]1[C@@H](O)CO	101319949	YEERNPPBIMJBHH-ZNANJTRQSA-N	338.265	-4.149	30	1	EAEF	
COc1ccc(S(=O)(=O)N(CC(=O)NO)C[C@H](O)CO)cc1	43104410	FAJZOFHZLDUFEM-VIFPVBQESA-N	334.350	-1.456	30	1	EAEF	
C[C@]12O[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12	255205793	DINMMVOHYZBIQX-PZYDOOQISA-N	346.332	-2.563	30	1	EAEF	
C[C@@H](O)[C@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356590074	CSJDAUVLWGFTHJ-XLJXQAQBSA-N	340.281	-4.435	30	1	EAEF	
C=CCN(C)C(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560219	KACIGIUXZUDKJK-NOOOWODRSA-N	339.396	-1.112	30	1	EAEF	
CC1(C)CC(=O)C=C(CO)[C@@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356499813	KOMHTYYQRGPWLA-ZLCQRPCESA-N	346.376	-1.663	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1	2356630480	SMZJCCHIPATQCN-BSJXLVFVSA-N	332.261	-2.397	30	1	EAEF	
OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)/C=N\Nc1nc(O)c2ccccc2n1	254073836	ABFPWGAYLOTXPD-ZASPUMLHSA-N	338.320	-1.831	30	1	EAEF	
C=C1c2c(ccoc2=O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O	2356660349	LDXOVBQGKFTZBZ-RSYYWKQWSA-N	342.300	-2.115	30	1	EAEF	
NC(N)=NC(=O)c1nc(Cl)c(NCCc2nnn[nH]2)nc1N	73138378	WMYTXKYOPRDUTH-UHFFFAOYSA-N	325.724	-1.707	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(O)[C@@H]3[C@H](CN21)[N@]3C	1857535992	SEDXBOADINLGFR-ZFUMTLASSA-N	349.343	-1.564	30	1	EAEF	
C[C@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23	169358670	HYJVJRUXRDRLNM-SOMYZUKISA-N	341.360	-1.181	30	1	EAEF	
NC1CCN(C(=O)[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)CC1	96168601	AEVFDHXLJVXHNF-ZJUUUORDSA-N	348.381	-1.061	30	1	EAEF	
O=C1[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)Oc2ccccc2N1O	2356329814	MDURBJSVWZOREE-KALVJPODSA-N	327.289	-1.988	30	1	EAEF	
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)/C=N\Nc1nc(O)c2ccccc2n1	254073832	ABFPWGAYLOTXPD-BIYRIVCWSA-N	338.320	-1.831	30	1	EAEF	
OC[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1OC=C[C@@H]2[C@H](O)[C@@H]3O[C@H]3[C@@H]12	2356494261	XCHBXOJVNFFCJZ-ZFNTUIFRSA-N	346.332	-3.318	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@]1(O)[C@]2(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356614775	HOKMRYAVBVSYOK-RASPOZBBSA-N	344.360	-1.911	30	1	EAEF	
Cc1cc(N)c2c(c1)C(=O)C[C@](C=O)([C@@H](O)[C@H](O)[C@H](O)CO)O2	587405925	YZXVHMVHNRSZBT-UXOAXIEHSA-N	325.317	-1.445	30	1	EAEF	
N/C(=N\O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(NO)c12	16978384	VDRNYDUPTSTUEE-HIFLKKFUSA-N	340.296	-2.062	30	1	EAEF	
C=CCC1=C(C(=O)O)O[C@@H]([C@@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@H]1O	95920949	OXBQHTTZDDRTNB-CFDXXZMTSA-N	331.321	-2.120	30	1	EAEF	in-vitro
Cc1ccc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(C#N)c1O	2356598157	GVWDSUNSMCEEJG-MYBUGEPTSA-N	325.317	-1.111	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(/C)C(=O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257449479	IVWJMPAYYVHQPT-FTXMQZBOSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
C=C1C[C@H](O)[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356639547	UQQFHQBHLAWWSL-WNYVTQKESA-N	330.333	-1.774	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@]1(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@]2(C)CO	2356511354	HDRABVWFLVVWRI-AWYRYIIHSA-N	344.360	-1.911	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	28525368	QUSHWGZQXAECSJ-SYYXXZFVSA-N	340.332	-1.205	30	1	EAEF	
C[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@H]1O	85534442	CPYCUQCIDSHOHI-RUKGUBFJSA-N	326.298	-4.527	30	1	EAEF	biogenic,in-vitro
N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)[C@@H]1O)C(=O)O	85588151	ARIITYRKDPOGKE-AZQAYCESSA-N	340.288	-1.940	30	1	EAEF	in-vitro
C=C(C(=O)OC)[C@@H]1[C@@H](O)C[C@]2(C)[C@@H]([C@H]1O)[C@](O)(CO)CC[C@H]2O	238735820	CNTCMTUSQDBRRO-BLXZSPOESA-N	330.377	-1.042	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@]2(C)CO	2356511357	HDRABVWFLVVWRI-XROHXPFNSA-N	344.360	-1.911	30	1	EAEF	
C[C@@]12O[C@@H]1C[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]21	2356595071	RUROMUOJORASTD-IHPLSEJWSA-N	346.332	-2.419	30	1	EAEF	
COC1=CC(=O)C=C(OC)C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	238732219	GEVUIAISJIZTQQ-BYNIDDHOSA-N	332.305	-2.185	30	1	EAEF	
NCc1cn(C[C@@H]2CC[C@@H]3CN2C(=O)N3OS(=O)(=O)O)nn1	1857613698	LMZPTYUUHHRTIK-DTWKUNHWSA-N	332.342	-1.260	30	1	EAEF	
CN(C)c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	28524223	FJGGJNPEAKCGMF-WGGSMOOMSA-N	326.349	-1.097	30	1	EAEF	
C=C[C@](C)(O)CCC=C(CO)C(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@@H](O)[C@H]1O	2356475479	FFLUVDOEJBDSSD-KDPNGRSJSA-N	346.376	-1.007	30	1	EAEF	
COc1ccc(NN/N=C2/N=c3c(=O)n(C)c(=O)n(C)c3=N2)cc1	13122642	PFMOWDYZEUGQMF-AQTBWJFISA-N	329.320	-1.767	30	3	EAEF	
CON=C1C=C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)S1	2356330734	ACTUTXLTEUKWIN-ALOHQWECSA-N	337.350	-2.247	30	1	EAEF	
NC(N)=NCCC[C@@H](N)C(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	36471239	VKWVSTVMJRZUIT-GWMGTZGCSA-N	336.345	-4.290	30	1	EAEF	
C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	257403605	DDQFHDNWZKJNLC-WVVLWIAHSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
C=C[C@@](C)(O)CC/C=C(/C)C(=O)O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	85844017	IVWJMPAYYVHQPT-KRYPWQTHSA-N	346.376	-1.007	30	1	EAEF	in-man
C=C[C@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	257525319	QSBRHMSGMHEVKB-MQBRPYPXSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
C=C[C@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)O1	85877405	QSBRHMSGMHEVKB-HZYBBORFSA-N	348.392	-1.322	30	1	EAEF	in-man
C=C[C@@](O)(CO)CC/C=C(/C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238787423	ROZJFFRHACNYHF-VXYKDSRWSA-N	348.392	-1.561	30	1	EAEF	
COCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	26501623	VGOZRQUUWDMUGS-VTEVMWQTSA-N	335.320	-1.982	30	1	EAEF	
C=C1[C@@H]2C[C@](O)(C[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2(C)C	525915276	WVEXFNOOUNMXMC-WDKWNDDJSA-N	330.377	-1.091	30	1	EAEF	biogenic
C#CCOc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC#C)c1=O	1772576227	YYAZSPSRALPDTP-HKUMRIAESA-N	336.300	-2.733	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3C[C@H]4O[C@]4(CO)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356737224	DHSHYQJABUIJDG-UFCFCBOSSA-N	346.332	-2.561	30	1	EAEF	
O=C(N[C@@H]1CCCNC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	222020505	OMBRYYNMYXZMPQ-UTLUCORTSA-N	348.381	-1.142	30	1	EAEF	
N[C@@H](CCCCNC1=CC(=O)C(=O)C=C1C[C@H](N)C(=O)O)C(=O)O	13513342	ATSBFAGKFWTGFG-UWVGGRQHSA-N	339.348	-1.078	30	1	EAEF	in-vitro
O=S(=O)(O)O[C@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@@H](O)[C@@H]1CO	2356320284	SOWRVDSZMRPKRG-VYFHOFBVSA-O	335.376	-3.758	30	1	EAEF	
OCC=CC#CC#C[C@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356546861	TZGLJFHSHFYCQU-AYCBFJCHSA-N	342.344	-2.891	30	1	EAEF	
OC/C=C/C#CC#C[C@@H](O)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38442351	TZGLJFHSHFYCQU-VXPCCJRPSA-N	342.344	-2.891	30	1	EAEF	
CN(CCC#N)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	49031789	IREPBAGBNVSCLA-IDTAVKCVSA-N	333.352	-1.127	30	1	EAEF	
NC(N)=NCCCC(NC(=O)[C@@H](N)CCCN=C(N)N)=C(O)O	100385881	LEANBUSNEHJUBA-ZETCQYMHSA-N	330.393	-2.178	30	1	EAEF	endogenous,in-vitro
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@]3(O)[C@@H](O)[C@H]4O[C@H]4[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O	2356566693	PWZIGDMWDRKORM-OTQIXVSJSA-N	348.304	-3.838	30	1	EAEF	
CC1(C)CC(=O)[C@H]2O[C@]2(C)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356655873	OHLHJLGLXOHROA-VKSCSBDOSA-N	346.376	-1.424	30	1	EAEF	
C=CCNC(=O)[C@H](NC(C)=O)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560191	MKTINQQMWSTYIS-VPOLOUISSA-N	325.369	-1.454	30	1	EAEF	
[N-]=[N+]=Nc1cn([C@@H]2O[C@H](CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	71315788	KKPFMFPIJFGKPJ-UAKXSSHOSA-N	349.196	-1.725	30	1	EAEF	
OCC=CC#CC#C[C@@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356546862	TZGLJFHSHFYCQU-RDGWLKQMSA-N	342.344	-2.891	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@H](O)[C@H](O)[C@H]1O	39177783	FFLUVDOEJBDSSD-AUMBIVRTSA-N	346.376	-1.007	30	1	EAEF	
C[C@]12O[C@H]1C[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	238749597	RUROMUOJORASTD-FBFUCBBSSA-N	346.332	-2.419	30	1	EAEF	
CC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCC/N=C(\N)N[N+](=O)[O-])CN1	40934534	CEWRKWWAJJTAKM-UTLUCORTSA-N	329.361	-2.374	30	1	EAEF	
CN(CCC#N)C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O	49031792	IREPBAGBNVSCLA-PYUPQCDSSA-N	333.352	-1.127	30	1	EAEF	
C=C[C@]1(CO)CC[C@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)O1	85877408	QSBRHMSGMHEVKB-RNVSNABCSA-N	348.392	-1.322	30	1	EAEF	in-man
CC(=O)N[C@@H]1[C@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](O)CO	253636727	ARAIBEBZBOPLMB-MMXSIBGTSA-N	332.313	-3.786	30	1	EAEF	
NC(=O)[C@@H]1C[C@@H](N)CN1C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	27754776	QLHNGUCBVCLFHA-CSMHCCOUSA-N	330.349	-3.397	30	1	EAEF	
C=CCN1C(=O)N[C@H]2[C@H]1N(S(C)(=O)=O)CCN2S(C)(=O)=O	2473989	ZQASBIGTGNQSJA-RKDXNWHRSA-N	338.411	-1.613	30	1	EAEF	
CN(C(=O)C[C@@H](N)CC(=O)CCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26497707	YYIWGWAGWDNTCI-IONNQARKSA-N	341.372	-2.803	30	1	EAEF	
C=C(CO)[C@H]1CC[C@@H](CO)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356667159	JTCZJEHFXLPGNO-GCGZZSRJSA-N	348.392	-2.014	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@](O)(C(=O)C=Cc1ccc(O)c(O)c1)[C@@H](O)CO	2356854903	QXFVPIMQXCNEPV-MXAVVETBSA-N	342.300	-2.315	30	1	EAEF	
C[C@]12O[C@@H]1C[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	2356595072	RUROMUOJORASTD-OBJZKTRGSA-N	346.332	-2.419	30	1	EAEF	
O=c1[nH]c(=O)n([C@]2(S)CO[C@@H](COP(=O)(O)O)O2)cc1F	26730945	YYAYBDFFCLGAEU-SVGQVSJJSA-N	344.213	-1.302	30	1	EAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	40548088	XTLSZBMERPGKOO-XURMZQLCSA-N	328.277	-1.255	30	1	EAEF	
CON=C1C=C[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)S1	2356330737	ACTUTXLTEUKWIN-JMRIVBAFSA-N	337.350	-2.247	30	1	EAEF	
C/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	201161025	UBTOEGCOMHAXGV-XOEIIEAPSA-N	333.340	-2.328	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(/C)C(=O)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257449482	IVWJMPAYYVHQPT-UGLHXICHSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
N/C(=N\N/C=c1\cc/c(=C2/C=CC(=O)C(C(=O)O)=C2)o1)N[N+](=O)[O-]	100588406	KCVYFLQOWFQYSK-JMFBPXTISA-N	333.260	-2.081	30	3	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@@H](CC(=O)ON)[C@@]1(O)[C@H]3N[C@H]3CN21	43664457	XDHXLPBAZQLHHS-IUXVMFKRSA-N	335.316	-1.906	30	1	EAEF	
CCO[C@@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO	653693899	JSEWIZVMEZCGQN-AEUZHAFNSA-N	343.418	-3.819	30	1	EAEF	
O=C(O[C@@H]1CNOC1)[C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O	220097781	DHXJEQFETGTRCK-RNJXMRFFSA-N	337.310	-1.564	30	1	EAEF	
CO[C@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@H]12	100067782	NWIBSHFKIJFRCO-FJPRTMNBSA-N	334.332	-1.651	30	3	EAEF	in-man
CO[C@@]12[C@H](COC(=N)O)[C@@H]3C(=O)C(N)=C(C)C(=O)[C@]34N1C[C@H]1[C@@H]2[N@@]14	2356703375	ZOVLGAUVYBEUSN-ULWRASLPSA-N	334.332	-1.453	30	1	EAEF	
Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@@H](O)[C@@H](O)CO)NC2=O)cc1	195455874	CXAGJOLFYDCXSS-MUOKKSMJSA-N	348.359	-1.528	30	1	EAEF	
N[C@H]1CCN(C(=O)[C@@H]2CC[C@H]3CN2C(=O)N3OS(=O)(=O)O)C1	207063504	DNNRMFBYVLVTMA-CIUDSAMLSA-N	334.354	-1.451	30	1	EAEF	
CC1=CC(=O)[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356579178	SHZMGEYUEFSGCM-WBUWBNJYSA-N	328.317	-1.566	30	1	EAEF	
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)O1	100776980	QSBRHMSGMHEVKB-OHYMCPICSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
C[C@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@@H]1O	85534444	CPYCUQCIDSHOHI-UZUZINHXSA-N	326.298	-4.527	30	1	EAEF	biogenic,in-vitro
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H]2[C@@H]2O[C@H]2[C@@H]3O)[C@@H](O)[C@H](O)[C@H]1O	2356473398	DRXHHSWFGHCUGX-ORIIIECLSA-N	332.305	-2.953	30	1	EAEF	
C[C@H](O[C@H]([C@H](N)C=O)[C@H](O)[C@H](O)COP(=O)(O)O)C(=O)O	2356429887	ADPNCGPHHZFMFA-SLBCVNJHSA-N	331.214	-2.798	30	1	EAEF	
CN1CC[C@@](O)(C#Cc2ccnc(-n3nc(C(N)=O)cc3N)c2)C1=O	1857645571	CUWHKXADIYQZNO-INIZCTEOSA-N	340.343	-1.107	30	1	EAEF	
CC1=CC[C@@H]([C@](C)(O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1=O	2356521377	VHKVJYPHKNZCFD-UIDFNMOTSA-N	346.376	-1.521	30	1	EAEF	
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@H]2C[C@H]1O	2356627786	WGRQLYJSRDDYHN-BOXDVVJRSA-N	330.333	-1.774	30	1	EAEF	
C[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	16051595	SYXVLKYCLDJBRU-CSMHCCOUSA-N	335.382	-1.428	30	1	EAEF	in-vitro
CC(C)[C@H](NC(=O)CS)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	48999213	JZXFEKUNEFNTEZ-WPRPVWTQSA-N	346.457	-1.710	30	1	EAEF	
C=C1C[C@]2(COP(=O)(O)O)O[C@@H](n3ccc(=O)[nH]c3=O)[C@H]1[C@@H]2O	64437274	OJPKMNNCEVWWCI-DTHBNOIPSA-N	346.232	-1.150	30	1	EAEF	in-vitro
CC1(C)CC(=O)C=C(CO)[C@H]1CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356499811	KOMHTYYQRGPWLA-JSLGZRHDSA-N	346.376	-1.663	30	1	EAEF	
C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	2356694715	DDQFHDNWZKJNLC-ZGNUMKAHSA-N	348.392	-1.729	30	1	EAEF	
CCN(CC)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N=C(N)N)[C@H]1NC(C)=O	13802902	XMBMCUACUOKRPD-JMJZKYOTSA-N	343.384	-2.405	30	1	EAEF	
C=C1C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	238767543	UQQFHQBHLAWWSL-FKVJWERZSA-N	330.333	-1.774	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@H](O)C1=N[C@@H](CO)C(=O)O	2356844191	NSHOGJPEPQJUQQ-CQOUMUIBSA-N	348.308	-3.107	30	1	EAEF	
O=C(OC1CNNC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168662	YATSDKWECXNFKJ-SVRRBLITSA-N	336.326	-1.991	30	1	EAEF	
CC(C)(C)CO[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	653857928	GPXBCPRZDYNYRJ-PVXCFCPBSA-N	325.447	-1.515	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1	28523462	QGTUTPLFQHSZPS-KYIKHKOZSA-N	328.277	-1.255	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@H](O)[C@H](O)[C@H]1O	39177781	FFLUVDOEJBDSSD-UQJHCOJBSA-N	346.376	-1.007	30	1	EAEF	
CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@@H]3N[C@@H]3[C@]1(OC)[C@@H]2COC(N)=O	100804608	DLVPYOYPJZLZNQ-NGSRAFSJSA-N	348.359	-1.261	30	1	EAEF	
O=C(NC[C@H]1CCCN1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168585	IMKAABRWZRKIRO-BBBLOLIVSA-N	348.381	-1.142	30	1	EAEF	
O=C(Nc1c(F)cccc1F)ONC1=N[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	653718477	DLJKVBGOHTYHDX-CZULRBLNSA-N	347.274	-1.126	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@@H]1CO	34005822	SOWRVDSZMRPKRG-IHULDRTKSA-O	335.376	-3.758	30	1	EAEF	
CC1(C)O[C@@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@H]1O[C@@H]2C/N=C(\N)N=C(N)N	40441869	QEVWAIQRFHKFGK-SOYHJAILSA-N	343.384	-1.029	30	1	EAEF	
CC(C)(O)[C@]1(O)[C@H]2OC(=O)[C@@H]1[C@]1(O)[C@H]3O[C@H]3[C@@H]3C(=O)O[C@H]2[C@@]31C	238764885	LHNKBXRFNPMIBR-UMVKHPJMSA-N	326.301	-1.896	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356737222	DHSHYQJABUIJDG-CZKMUSHYSA-N	346.332	-2.561	30	1	EAEF	
O=C1[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)Oc2ccccc2N1O	59066949	OUSLYTBGQGKTME-AHEIADTRSA-N	343.288	-2.056	30	1	EAEF	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)CO	95921677	PZDOWFGHCNHPQD-XRYHAFIBSA-N	342.297	-5.555	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO	13551883	DKXNBNKWCZZMJT-FRRYJRFZSA-N	342.297	-5.555	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@](O)(C(=O)C=Cc1ccc(O)c(O)c1)[C@H](O)CO	2356854901	QXFVPIMQXCNEPV-ATGSNQNLSA-N	342.300	-2.315	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O	14416820	HXMZQSGMNGTGGB-SBTPRODXSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
C=C[C@@H](O)C#CC#CCC[C@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356688460	AXGGXCIIAJXIPY-YXIOUMEFSA-N	342.344	-2.545	30	1	EAEF	
C[C@@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@H]1O	85534443	CPYCUQCIDSHOHI-YNLJRGCOSA-N	326.298	-4.527	30	1	EAEF	biogenic,in-vitro
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@H](O)[C@H]2O[C@@H]32)[C@H](O)[C@@H](O)[C@@H]1O	255225561	LCDJVEZJCUBANN-OWWWPMKQSA-N	332.305	-2.953	30	1	EAEF	
C#CCSc1nc(N)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1	17218802	DOQVBNTWSDZPPA-WJOUQXRDSA-N	337.361	-1.255	30	1	EAEF	
C=CCn1c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(N)[nH]c(=O)c21	11680988	VDCRFBBZFHHYGT-YRCUVVFSSA-N	339.308	-2.734	30	1	EAEF	
C=C1[C@@H](O)C[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	139927039	WGRQLYJSRDDYHN-MDRZJINZSA-N	330.333	-1.774	30	1	EAEF	
O=C(CCNC(=O)c1cccc(C(=O)NCCC(=O)NO)n1)NO	29128764	AYSTVWUXDYXIEO-UHFFFAOYSA-N	339.308	-1.668	30	1	EAEF	
CN(C(=O)C[C@@H](N)CC(=O)CCN)[C@H]1CN=C(/N=C(/N)O)NC1=O	26497710	YYIWGWAGWDNTCI-CBAPKCEASA-N	341.372	-2.803	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@@H]1CO	2356320282	SOWRVDSZMRPKRG-GCQSPENFSA-O	335.376	-3.758	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	299807528	NFMNOZIGMJLMPP-NGWOKTERSA-N	328.277	-1.255	30	1	EAEF	
O=C([C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O)N1CCNCC1	96168602	PJEPRDICHXEIAI-BDAKNGLRSA-N	334.354	-1.579	30	1	EAEF	
C=C1[C@H](O)[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356450304	NZUIJGRMABSDPS-QKJSVATASA-N	346.332	-2.803	30	1	EAEF	
CC1(C)O[C@H]2[C@H](O[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C/N=C(\N)N=C(N)N)O1	26256259	OPYDLNQHQNFLKU-HOTMZDKISA-N	343.384	-1.029	30	1	EAEF	
NC(=O)[C@@H](CCCN/C(N)=N\[N+](=O)[O-])NC(=O)[C@H]1C[C@H](N)CN1	95539807	ZMBRPIKYQOGCJB-XLPZGREQSA-N	330.349	-3.478	30	1	EAEF	
N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)C1=O)C(=O)O	100078989	UMYDVEVERVKIFT-FXQIFTODSA-N	338.272	-1.732	30	1	EAEF	in-vitro
C=C[C@](O)(CO)CCC=C(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356456816	ROZJFFRHACNYHF-YUDUXTHKSA-N	348.392	-1.561	30	1	EAEF	
CC/C=N/Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	12405470	GIIMDTONNDYKSE-OGGAKGTFSA-N	337.340	-1.172	30	1	EAEF	
C=CCn1c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21	27108668	VDCRFBBZFHHYGT-TXRROPDSSA-N	339.308	-2.734	30	1	EAEF	
O=C1C=CC(=O)c2c(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cccc21	257373800	AAYYJBZZHJNMEO-HVQZGBDUSA-N	336.296	-1.200	30	1	EAEF	endogenous,in-man
C=C[C@@H](O)C#CC#CCC[C@@H](O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356688459	AXGGXCIIAJXIPY-XMDUCEHWSA-N	342.344	-2.545	30	1	EAEF	
CC1(C)O[C@H](C/N=C(\N)N=C(N)N)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1	26256239	OPYDLNQHQNFLKU-JDDHQFAOSA-N	343.384	-1.029	30	1	EAEF	
CO/N=C(/C(=O)N[C@@H]1CN(NCC(=O)O)C1=O)c1csc(N)n1	29466940	WOHJNSKIAHVQNU-DRLMDNKYSA-N	342.337	-2.008	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCCCN)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26491522	XZADXHLFRKVBKO-DTWKUNHWSA-N	327.389	-1.982	30	1	EAEF	
N[C@@H](CC1=CC2=C(N[C@H](C(=O)O)C[C@@H]2C(=O)O)C(=O)[C@H]1O)C(=O)O	100192538	ARIITYRKDPOGKE-GHCJXIJMSA-N	340.288	-1.940	30	1	EAEF	in-vitro
C=C1C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356639544	UQQFHQBHLAWWSL-BOXDVVJRSA-N	330.333	-1.774	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)[C@@H]3C(=O)C(N)=C(C)C(=O)[C@@H]3N1C[C@@H]1N[C@@H]12	1772601655	PCWNZPACMPENIE-ZMUPOGSPSA-N	336.348	-1.506	30	1	EAEF	
C=C1c2c(ccoc2=O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O	2356660350	LDXOVBQGKFTZBZ-UWIWQPSYSA-N	342.300	-2.115	30	1	EAEF	
O=C([C@@H]1CC[C@H]2CN1C(=O)N2OS(=O)(=O)O)N1CCNCC1	207062908	PJEPRDICHXEIAI-IUCAKERBSA-N	334.354	-1.579	30	1	EAEF	
CC/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4097568	ZPFWVYNZDHOONR-XLKLPJSCSA-N	347.367	-1.938	30	1	EAEF	in-vitro
CC1=CC(=O)[C@H]2C[C@]1(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@]2(C)CO	2356511356	HDRABVWFLVVWRI-WWGBLNFOSA-N	344.360	-1.911	30	1	EAEF	
CC1(C)CC(=O)C=C(CO)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	137927001	KOMHTYYQRGPWLA-PLJUSGQGSA-N	346.376	-1.663	30	1	EAEF	
CC1(C)O[C@H]2[C@H](O1)[C@H](C/N=C(\N)N=C(N)N)O[C@@H]1OC(C)(C)O[C@H]21	40441868	QEVWAIQRFHKFGK-SQXHDICFSA-N	343.384	-1.029	30	1	EAEF	
O=C(NO)c1ccccc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	238785246	RJAMCDTUOSNOFS-CDHFTJPESA-N	329.261	-1.923	30	1	EAEF	
C=C(C)[C@]12CC[C@](C)(O1)[C@@H](O)[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356720111	QKTWROSLSKQSBD-MFXWJFIZSA-N	346.376	-1.570	30	1	EAEF	
CN(C(=O)C[C@@H](N)CCC(N)=O)[C@H]1CN=C(/N=C(/N)O)NC1=O	26487460	OGFBWCNZMMOXFG-BQBZGAKWSA-N	327.345	-2.845	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3[C@H]2[C@@H](O)[C@@H]2O[C@H]32)[C@@H](O)[C@H](O)[C@H]1O	2356537236	LCDJVEZJCUBANN-TUQBERMBSA-N	332.305	-2.953	30	1	EAEF	
CO[C@@H](CO)C1=C(N2CC2)C(=O)C([C@H](CO)OC)=C(N2CC2)C1=O	169320083	FKCYYDVPNWJUCZ-UWVGGRQHSA-N	338.360	-1.708	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COC(=O)c1cc(O)c(O)c(O)c1	2356630481	SMZJCCHIPATQCN-FSZOTQKASA-N	332.261	-2.397	30	1	EAEF	
CO[C@@H]1O[C@H](Cn2cc(COC[C@@H]3CO3)nn2)[C@H](O)[C@H](O)[C@H]1O	49071839	UHBRFTPCFFUQFO-PQCBQTOFSA-N	331.325	-2.353	30	1	EAEF	
COC1=C(N[C@@H](CO)C(=O)O)C[C@@](O)(CO)C/C1=N\CC(=O)O	136534671	HXQQNYSFSLBXQJ-UFTOTEDOSA-N	332.309	-2.078	30	1	EAEF	
C=C[C@@](C)(O)CC/C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	257449481	IVWJMPAYYVHQPT-KEZJDCPRSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
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	2356606629	XAVVYCXXDSHXNS-BYSIQLFWSA-N	326.298	-4.527	30	1	EAEF	
C[N+](C)(C)[C@@H](Cc1cnc(SC[C@@H](O)[C@H](N)C(=O)O)[nH]1)C(=O)O	5116006	PBGMXJHSCOZVQW-AEJSXWLSSA-O	347.417	-1.024	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	28525265	NFMNOZIGMJLMPP-JKDFJRTMSA-N	328.277	-1.255	30	1	EAEF	
COC1=C(N[C@H](C(=O)O)[C@@H](C)O)C[C@@](O)(CO)CC1=NCC(=O)O	2356417431	AWCCBAPDJMUZOK-PHPRGHSWSA-N	346.336	-1.689	30	1	EAEF	
CO[C@H]1CC(=O)C=C[C@]1(O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356471778	ZCRNWBJHIJCNDA-XNOYWBNFSA-N	348.348	-2.532	30	1	EAEF	
COc1cc(CC#N)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356440594	IGLFDZPSOHOIMY-QKGCVVFFSA-N	325.317	-1.060	30	1	EAEF	
O=C(NO)C(=O)NCC[C@H](NC(=O)C(=O)NO)C1CCCCC1	28006545	UHYUCCHEBUTXHO-VIFPVBQESA-N	330.341	-1.431	30	1	EAEF	
CC1=CC[C@H]([C@](C)(O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1=O	95910617	VHKVJYPHKNZCFD-PATYQYIZSA-N	346.376	-1.521	30	1	EAEF	biogenic,in-vitro
NCCCC[C@H](N)C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O	49072252	BIRKNHLPVFNKFJ-IUCAKERBSA-N	329.357	-2.418	30	1	EAEF	
COC1=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C(OC)C1=O	238746494	BUZXMDVYNQXDSY-RGCYKPLRSA-N	332.305	-2.185	30	1	EAEF	
N[C@H](CCC(=O)N[C@H](CS)C(=O)N[C@@H](CO)C(=O)O)C(=O)O	15261442	QWHVIVGONDEFNH-DSYKOEDSSA-N	337.354	-2.845	30	1	EAEF	endogenous,in-man
CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)CC(=O)NO	95560916	WUOGXGXEBVNMFI-BQBZGAKWSA-N	333.297	-1.932	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C@H](CC(=O)ON)[C@@]1(O)[C@H]3N[C@H]3CN21	100786988	XDHXLPBAZQLHHS-YNYAUTNHSA-N	335.316	-1.906	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1	28525366	QUSHWGZQXAECSJ-NWJPFABMSA-N	340.332	-1.205	30	1	EAEF	
O=[N+]([O-])c1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	253640283	XTLSZBMERPGKOO-NGWOKTERSA-N	328.277	-1.255	30	1	EAEF	
N#Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	49802347	BUHKUGLYORHFNN-JXOAFFINSA-N	349.192	-2.863	30	1	EAEF	in-vitro
C=CC[S@@](=O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)C(=O)O	13311055	HXMZQSGMNGTGGB-OQOHQGRPSA-N	339.366	-3.235	30	1	EAEF	in-man
C[C@H]1O[C@@H](O[C@@H]([C@@H](O)C=O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	40164513	WFLGVJKIXANXQV-AVKVNHHUSA-N	326.298	-4.527	30	1	EAEF	in-man
C=CC[C@]1(C(=O)O)C[C@@H](O)[C@H](NC(C)=O)[C@@H]([C@@H](O)[C@H](O)CO)O1	53683243	IUGVDRFIVSPVGO-VEWLJJDFSA-N	333.337	-2.246	30	1	EAEF	in-vivo
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14590114	UBTOEGCOMHAXGV-PRKQEWRTSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
C[C@@H](Cn1c(N=C(N)N)nc(N)c2ncnc1-2)OCP(=O)(O)O	101147289	ODIYKRZBDNCIIW-YFKPBYRVSA-N	344.272	-1.195	30	1	EAEF	
O=[N+]([O-])c1ccc(NN=C(CO)[C@H](O)[C@@H](O)CO)c([N+](=O)[O-])c1	2356816020	ROLPVNVIFWLNOC-QWRGUYRKSA-N	330.253	-1.023	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	257403604	DDQFHDNWZKJNLC-WTQKXNQTSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
C[C@@H]1O[C@H](O[C@H]([C@H](O)C=O)[C@H](O)[C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O	2356726080	WFLGVJKIXANXQV-SQATYMJMSA-N	326.298	-4.527	30	1	EAEF	
OC[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO	43208015	JWOANRNVWBCYDC-OWRODWAWSA-N	345.390	-5.502	30	1	EAEF	in-vivo
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O	2356629574	JNOBKBGUTMPMPS-RWIORTIOSA-N	346.292	-3.657	30	1	EAEF	
C[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	137600230	QMBUXWAVZQWFED-UWQUBDDFSA-N	346.332	-2.563	30	1	EAEF	
COC1=CC(=O)N(C)[C@@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O	238752470	JNOBKBGUTMPMPS-SMFJDMQNSA-N	346.292	-3.657	30	1	EAEF	
C=C[C@@H](C#CC#CCCCO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356428576	PYTKUZJMLSAAIK-XBORSJSESA-N	326.345	-1.863	30	1	EAEF	
O=C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COC(=O)c1cc(O)c(O)c(O)c1	2356630482	SMZJCCHIPATQCN-QCMRWSPLSA-N	332.261	-2.397	30	1	EAEF	
C=CC[C@@H](O)[C@H]1O[C@@H](n2ccc(=O)c3c(N)ncnc32)[C@H](O)[C@@H]1O	39158567	JJJPSEYULREDIK-UGEBGDRKSA-N	334.332	-1.070	30	1	EAEF	
Cc1ccc(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C#N)c1O	200674006	GVWDSUNSMCEEJG-TVKJYDDYSA-N	325.317	-1.111	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)C3=C(C(=O)C=C(N)C3=O)N1C[C@H]1[C@@H]2[N@]1C	1857627521	ALVMKKZPGOMDDA-PUBYGVATSA-N	334.332	-1.285	30	1	EAEF	
CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(=O)O)C(=O)O	29557154	ZNOKVXTWCMAELS-OYNCUSHFSA-N	349.409	-1.182	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1	253639168	QGTUTPLFQHSZPS-NGWOKTERSA-N	328.277	-1.255	30	1	EAEF	
C[C@H](O)[C@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356590071	CSJDAUVLWGFTHJ-HPFJSZDPSA-N	340.281	-4.435	30	1	EAEF	
COC1=CC(=O)N[C@H](O)[C@@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356867703	WUVMCCRKWLRPJP-WOMCLFIPSA-N	346.292	-3.956	30	1	EAEF	
CC1=C(CO)C(C)(C)C=C(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1=O	2356610803	YQTJCDJCMPVAJX-MYBUGEPTSA-N	344.360	-1.396	30	1	EAEF	
C[C@@H](O)[C@@H](O)[C@H](O)[C@H](C=O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O	2356590073	CSJDAUVLWGFTHJ-WVAXCCEOSA-N	340.281	-4.435	30	1	EAEF	
CN1CCN=C1NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168640	AIZGEXNWBOUBOP-SFYZADRCSA-N	347.353	-1.593	30	1	EAEF	
COc1cc(O)c2c(c1)C(=O)C1=C(C2=O)[C@@H](O)[C@@H](O)[C@](C)(O)[C@H]1O	13312272	VSMBLBOUQJNJIL-QKPAOTATSA-N	336.296	-1.076	30	1	EAEF	
NCCC[C@H](NC(=O)[C@@H](N)CCCN/C(N)=N/[N+](=O)[O-])C(N)=O	13531432	HKTCWNTUEVRSHC-YUMQZZPRSA-N	332.365	-3.101	30	1	EAEF	
O=C(NC[C@@H]1CCCN1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	96168586	IMKAABRWZRKIRO-AEJSXWLSSA-N	348.381	-1.142	30	1	EAEF	
CC(=CC[C@]12O[C@@H]1[C@@H]1O[C@H](C(C)(C)O)C[C@]1(O)[C@H](O)[C@@H]2O)CO	2356759942	LTQGCRJLFUTPOI-UUDMHTPMSA-N	330.377	-1.152	30	1	EAEF	
O=[N+]([O-])c1ccc(NN=C(CO)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])c1	2356816019	ROLPVNVIFWLNOC-MNOVXSKESA-N	330.253	-1.023	30	1	EAEF	
CNC1=C(C)C(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@]1(OC)[C@@H]3N[C@H]3CN21	256319047	QMWMHVONMWSXDM-MKDVQNIYSA-N	348.359	-1.391	30	1	EAEF	
C#CCNC(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@@H](NS(C)(=O)=O)CN12	2356824548	GVWUBTJUMAXUPV-IJLUTSLNSA-N	342.421	-1.994	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@@+]1C[C@H](O)[C@@H](O)[C@@H]1CO	28875113	SOWRVDSZMRPKRG-YQIJEUSTSA-O	335.376	-3.758	30	1	EAEF	
O=C1[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)Oc2ccccc2N1O	59066952	OUSLYTBGQGKTME-XMPLMDQLSA-N	343.288	-2.056	30	1	EAEF	in-man
COc1cc(CC#N)ccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356440595	IGLFDZPSOHOIMY-SEBNEYGDSA-N	325.317	-1.060	30	1	EAEF	
C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(Cl)nc(N)nc32)[C@@H]1O	653722925	XXFZJGLMXYGQKU-OEBFKYMWSA-N	325.712	-1.323	30	1	EAEF	
CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@H](N)CCS(=O)(=O)O)C(N)=O	27558919	TVORPGXVIXEMJD-LURQLKTLSA-N	341.455	-1.094	30	1	EAEF	
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@H]2[C@H](O)[C@@H]1O	238751957	NZUIJGRMABSDPS-RNMKKKFZSA-N	346.332	-2.803	30	1	EAEF	
CC1=CC[C@H]([C@](C)(O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1=O	2356521376	VHKVJYPHKNZCFD-SIOVJARSSA-N	346.376	-1.521	30	1	EAEF	
C=C[C@@H](CO)[C@H](CCO)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356775461	LXZLWLTYJBHIOS-RLWKQIJDSA-N	336.381	-2.014	30	1	EAEF	
C=C[C@@]1(CO)CC[C@H](C(C)(C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1	2356678070	QSBRHMSGMHEVKB-UFGPXHDYSA-N	348.392	-1.322	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	256003596	UBTOEGCOMHAXGV-IIWPNKGKSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
C=C(C)[C@@H]1[C@H]2O[C@H]3[C@H](O)[C@]4(O)CO[C@@H]2[C@@]4(C)[C@@]3(O)[C@@H]1C(=O)OC	2356458090	FUAZBKOBLHYLPH-FWRFWRMNSA-N	326.345	-1.009	30	1	EAEF	
COC1=CC(=O)N(C)[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	2356629576	JNOBKBGUTMPMPS-ZRHTZCORSA-N	346.292	-3.657	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@@H]1CO	40466680	SOWRVDSZMRPKRG-TVSAQFASSA-O	335.376	-3.758	30	1	EAEF	
CC(=O)CC[C@H](NC(=O)[C@H](CCCCN)NC(=O)CS)C(N)=O	49034368	BECCNIRDZOEIMJ-QWRGUYRKSA-N	346.453	-1.131	30	1	EAEF	
CC(=O)N[C@@H](C(=O)N1CCCC1)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29564595	HGKXDQMONGAZJI-FIQHERPVSA-N	339.396	-1.134	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@H]1[C@@]2(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356666055	QMWLNTIQESGVGH-IHSVWVDFSA-N	328.361	-1.026	30	1	EAEF	
NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CS)C(N)=O	49015678	FWMADRSQBWJJDS-IUCAKERBSA-N	348.425	-1.635	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O	257440625	HXMZQSGMNGTGGB-AJSLSQAZSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man
C[C@@]12COC(=O)[C@]1(O)[C@H]1C[C@@]3([C@H](O)C(=O)O1)[C@]2(O)C[C@H]1O[C@@]13C	2356657908	XVTUVYDLNDXGDX-QCGHLMJMSA-N	326.301	-1.751	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@](C)(O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1	2356694714	DDQFHDNWZKJNLC-ZGJGHKLESA-N	348.392	-1.729	30	1	EAEF	
N[C@@H](C[C@@H]1C=CC(=O)C([C@@H](C[C@H](N)C(=O)O)C(=O)O)=C1)C(=O)O	100192395	RYBKCROHRDEYCF-PRQTWWFRSA-N	326.305	-1.027	30	1	EAEF	in-vitro
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@@H](O)C1=N[C@@H](C)C(=O)O	2356797668	OGXNUIXDQMTPKX-FOGGNADHSA-N	332.309	-2.079	30	1	EAEF	
CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1	3792051	DSFSFUSRPPCZQP-FRJWGUMJSA-N	349.347	-1.858	30	1	EAEF	
NCCCCN(CC(N)=O)C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	13809542	DYYAOLMVVYUKAH-VIFPVBQESA-N	346.392	-2.757	30	1	EAEF	
C#Cc1cn([C@@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	36175599	AQSXPZRJLDMJIN-VGMNWLOBSA-N	332.205	-1.724	30	1	EAEF	
N[C@@H](C=O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N)[C@H](O)CO	64622618	VUALREFPJJODHZ-WELRSGGNSA-N	340.329	-5.622	30	1	EAEF	in-vitro
CS(=O)(=O)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@H](O)[C@@H]1O	49052615	WGRWZBLZSZEOIZ-PULFBKJNSA-N	340.285	-2.729	30	1	EAEF	
OC[C@H]1O[C@H](O[C@@H]2OC=C[C@H]3C[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	238766663	DHSHYQJABUIJDG-KHOUHUGWSA-N	346.332	-2.561	30	1	EAEF	
C=C(C)[C@H]1[C@H](C(=O)OC)[C@]2(O)[C@@H]3O[C@H]1[C@H]1OC[C@@](O)([C@@H]3O)[C@]12C	201780342	FUAZBKOBLHYLPH-JIVFQZSASA-N	326.345	-1.009	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	5742754	UBTOEGCOMHAXGV-SFXBRKNYSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@]3(O)[C@@H]2[C@H]2O[C@H]2[C@H]3O)[C@H](O)[C@@H](O)[C@@H]1O	28536475	PWZIGDMWDRKORM-SQBIAKTPSA-N	348.304	-3.838	30	1	EAEF	
C=C[C@H](O)C#CC#CCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741163	QMPXKTKJVYNHGV-AYCBFJCHSA-N	326.345	-1.863	30	1	EAEF	
C[C@]12O[C@H]1C[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	2356595073	RUROMUOJORASTD-ZJIRXGQYSA-N	346.332	-2.419	30	1	EAEF	
C#CCSc1nc(N)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	5498542	DOQVBNTWSDZPPA-CIPNSKCISA-N	337.361	-1.255	30	1	EAEF	
C[C@]1(O)[C@@H](n2cnc3c2NCN/C3=N\OCCO)O[C@H](CO)[C@H]1O	28349280	PZSDDHJJIUCVOU-HRHBAESBSA-N	343.340	-2.472	30	1	EAEF	
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@H]12	2356397752	QSOURIMNVDBNHL-WWTBBKSQSA-N	346.332	-2.563	30	1	EAEF	
CC1=CC(=O)[C@@H]2C[C@@]1(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@]2(C)CO	238747102	HDRABVWFLVVWRI-NTYRZZAGSA-N	344.360	-1.911	30	1	EAEF	
CCC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H]([N@@]3C)[C@]1(O)[C@H]2COC(=N)O	1857536451	ZPAACYUKOOEKOS-KVIYVKDTSA-N	348.359	-1.159	30	1	EAEF	
C[C@@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@]4(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23	253839252	HYJVJRUXRDRLNM-DLCNIUKSSA-N	341.360	-1.181	30	3	EAEF	
CC(C)(O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	26376012	DSFSFUSRPPCZQP-VTEVMWQTSA-N	349.347	-1.858	30	1	EAEF	
C=C[C@@]1(CO)CC[C@@H](C(C)(C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)O1	100776979	QSBRHMSGMHEVKB-PENQEBMHSA-N	348.392	-1.322	30	1	EAEF	endogenous,in-man
C=C[C@@](C)(O)CCC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356664801	IVWJMPAYYVHQPT-BEKRQIFDSA-N	346.376	-1.007	30	1	EAEF	
CC1=CC(=O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12	238757457	SHZMGEYUEFSGCM-DNRYLMBSSA-N	328.317	-1.566	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@@H]1CO	195150253	SOWRVDSZMRPKRG-ROFZKIKXSA-O	335.376	-3.758	30	1	EAEF	
COC1=CC(=O)C2=C(C1=O)[C@H](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C	43328062	LYPUEVFGXHYKBG-YBQQBMQWSA-N	335.316	-1.666	30	1	EAEF	
CC(C)(C)CO[C@@H](CO)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO	653857929	GPXBCPRZDYNYRJ-JCRXASOXSA-N	325.447	-1.515	30	1	EAEF	
C=C1C[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12	2356639545	UQQFHQBHLAWWSL-DELVKPDFSA-N	330.333	-1.774	30	1	EAEF	
C=CCC1=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@H](NC(C)=O)[C@H]1O	58649677	OXBQHTTZDDRTNB-BZNQNGANSA-N	331.321	-2.120	30	1	EAEF	in-vitro
C=C(C)[C@H]1[C@H](C(=O)OC)[C@@]2(O)[C@H]3O[C@H]1[C@@H]1OC[C@@](O)([C@H]3O)[C@@]12C	2356458089	FUAZBKOBLHYLPH-AFHPJFIJSA-N	326.345	-1.009	30	1	EAEF	
C=C(C)[C@H]1[C@H](C(=O)OC)[C@@]2(O)[C@H]3O[C@H]1[C@H]1OC[C@@](O)([C@H]3O)[C@@]12C	2356458093	FUAZBKOBLHYLPH-YTWSMHICSA-N	326.345	-1.009	30	1	EAEF	
CO[C@@]12[C@@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@H]1N[C@H]12	118173281	NWIBSHFKIJFRCO-CIWVSPBYSA-N	334.332	-1.651	30	1	EAEF	
C[C@@]12COC(=O)[C@@]1(O)[C@H]1C[C@@]3([C@@H](O)C(=O)O1)[C@]2(O)C[C@H]1O[C@@]13C	2356657909	XVTUVYDLNDXGDX-SPJJSPTJSA-N	326.301	-1.751	30	1	EAEF	
NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)O	146826631	VXKCPBPQEKKERH-IUCAKERBSA-N	328.373	-2.441	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@H](O)C[S@+]1C[C@H](O)[C@H](O)[C@H]1CO	2356320283	SOWRVDSZMRPKRG-NHZLFPSISA-O	335.376	-3.758	30	1	EAEF	
COC1=C(N[C@H](C(=O)O)[C@@H](C)O)C[C@](O)(CO)CC1=NCC(=O)O	2356417429	AWCCBAPDJMUZOK-HFHAVAFHSA-N	346.336	-1.689	30	1	EAEF	
C[C@@]12COC(=O)[C@@]1(O)[C@H]1C[C@@]3([C@H](O)C(=O)O1)[C@]2(O)C[C@H]1O[C@@]13C	2356657907	XVTUVYDLNDXGDX-ADXFLGDUSA-N	326.301	-1.751	30	1	EAEF	
COC1=C(N[C@@H](CO)C(=O)O)C[C@@](O)(CO)CC1=NCC(=O)O	2356503446	HXQQNYSFSLBXQJ-TVQRCGJNSA-N	332.309	-2.078	30	1	EAEF	
C/C(=N\OS(=O)(=O)O)S[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14590115	UBTOEGCOMHAXGV-FXSLXGFJSA-N	333.340	-2.328	30	1	EAEF	endogenous,in-man
C=C1CCO[C@@]2([C@@H](O)[C@@](C)(O)CO)NC(=O)[C@@]1(NC(C)=O)NC2=O	101174391	NBONWZVENKAJGC-NZPIUUIZSA-N	343.336	-3.158	30	1	EAEF	
CO[C@H]([C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO	71787443	ZFLJGAPPQIUCTG-DUJHBOIWSA-N	329.391	-4.209	30	1	EAEF	
C[C@@H](O)[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=O	238751578	OWIFTNHCDDEBHR-AUCXZHPRSA-N	326.298	-4.527	30	1	EAEF	
O=C1[C@H]([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	2356329816	MDURBJSVWZOREE-PDWLFKFUSA-N	327.289	-1.988	30	1	EAEF	
COc1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1O	28524589	PUBKMQWDLGZHAJ-NCQXEYALSA-N	329.305	-1.449	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	253639220	QUSHWGZQXAECSJ-NYZIMWFESA-N	340.332	-1.205	30	1	EAEF	
C[C@H](O[C@H]([C@H](N)C=O)[C@@H](O)[C@@H](O)COP(=O)(O)O)C(=O)O	2356429885	ADPNCGPHHZFMFA-GWVFRZDISA-N	331.214	-2.798	30	1	EAEF	
CO[C@@]12[C@@H]3[C@H](CN1C1=C(C(=O)C(N)=C(C)C1=O)[C@@H]2COC(N)=O)N3C	2031047	HRHKSTOGXBBQCB-YISQFVLVSA-N	348.359	-1.309	30	1	EAEF	
NCCCN(CC(N)=O)C(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	13809541	REHMBEOZHMIGQG-QMMMGPOBSA-N	332.365	-3.147	30	1	EAEF	
CC1(C)CC(=O)C=C(CO)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356499809	KOMHTYYQRGPWLA-JEWKUQAESA-N	346.376	-1.663	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)C/C1=N\[C@H](CO)C(=O)O	14611896	WXEQFJUHQIGKNG-XLEFRKRXSA-N	332.309	-2.078	30	1	EAEF	endogenous,in-man
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1	40810731	DOSAKMAMRORHEC-WSJJSNSYSA-N	344.276	-1.549	30	1	EAEF	
C[C@H](O)[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=O	2356516197	OWIFTNHCDDEBHR-SHWKLKKOSA-N	326.298	-4.527	30	1	EAEF	
NC(N)=NCCCCNC(=O)[C@@H]1CS[C@H]2CC[C@@H](N)C(=O)N21	13781158	BKWDBVATEVWOQC-UTLUCORTSA-N	328.442	-1.453	30	1	EAEF	
C[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	2356369318	QMBUXWAVZQWFED-FHMMAHMSSA-N	346.332	-2.563	30	1	EAEF	
C=C(CO)[C@H]1CC[C@H](CO)[C@H]1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238762222	JTCZJEHFXLPGNO-HUXDRDGTSA-N	348.392	-2.014	30	1	EAEF	
CC1=CC(=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	2356599708	JTUGHXNNGQUKSQ-IIBQYVAOSA-N	344.316	-2.451	30	1	EAEF	
C[C@@H](N)CC[C@@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26497299	RSOWUVVRECQPGV-IWSPIJDZSA-N	327.389	-1.983	30	1	EAEF	
N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)CS)C(N)=O	49015290	MSAHLBZGVQSPBT-BQBZGAKWSA-N	334.402	-3.373	30	1	EAEF	
O=C(C=Cc1ccc(O)c(O)c1)C(=O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO	2356826005	HUXWBFFRUHXOBU-CYUUQNCZSA-N	342.300	-2.315	30	1	EAEF	
C=C(CO)[C@@H]1CC[C@@H](CO)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356667161	JTCZJEHFXLPGNO-NSFHBZQTSA-N	348.392	-2.014	30	1	EAEF	
COc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1	40540547	WXJDKATXSOWLAC-LLWSRPIOSA-N	329.305	-1.449	30	1	EAEF	
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COC(N)=O)O1	43598055	QMXCMUUXBZHRHJ-JQCUSGDOSA-N	325.295	-1.012	30	1	EAEF	
O=C(O)CCC#CC#CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356741911	BAGGOTACEXSWCA-MBEZOWKRSA-N	342.344	-1.545	30	1	EAEF	
C#Cc1cn([C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O	36175603	AQSXPZRJLDMJIN-HRDYMLBCSA-N	332.205	-1.724	30	1	EAEF	
OCC=CC#CC#C[C@H](O)CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356546864	TZGLJFHSHFYCQU-XBORSJSESA-N	342.344	-2.891	30	1	EAEF	
O=C1C=C[C@](O)(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)C1	238765549	XNAJLGDVEHBLFR-RLAOKRIZSA-N	334.321	-3.186	30	1	EAEF	
CO[C@@H]1CC(=O)C=C[C@@]1(O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356471777	ZCRNWBJHIJCNDA-VBNHKQTDSA-N	348.348	-2.532	30	1	EAEF	
OC[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1OC=C[C@@H]2[C@H](O)[C@@H]3O[C@@H]3[C@@H]12	2356494260	XCHBXOJVNFFCJZ-VNFLYZKXSA-N	346.332	-3.318	30	1	EAEF	
C=C[C@H](O)C#CC#C[C@@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356584643	MWOLLPDIFAGNPI-QGRVMZGNSA-N	342.344	-2.892	30	1	EAEF	
C[C@@H]1C(=O)O[C@@H]2CCN3C[C@@H]4O[C@@]4(COC(=O)[C@@](C)(O)[C@@]1(C)O)[C@@H]23	169358669	HYJVJRUXRDRLNM-QUQJVPQISA-N	341.360	-1.181	30	1	EAEF	
C=C[C@](C)(O)CCC=C(CO)C(=O)O[C@@H]1[C@H](C)O[C@H](O)[C@H](O)[C@@H]1O	2356475480	FFLUVDOEJBDSSD-KTMGZXLOSA-N	346.376	-1.007	30	1	EAEF	
C=C[C@](C)(O)CCC=C(C)C(=O)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356664802	IVWJMPAYYVHQPT-GMCZJSKOSA-N	346.376	-1.007	30	1	EAEF	
CC[C@H](O)C#CC#CCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	238750303	BCUZRKNMPRUXAE-RCZWDNKTSA-N	328.361	-1.639	30	1	EAEF	
CN[C@@H](CCCN/C(N)=N/[N+](=O)[O-])C(=O)N[C@H]1CN[C@H](C(N)=O)C1	28645942	RMYBKJVFOSIEEJ-VGMNWLOBSA-N	344.376	-3.217	30	1	EAEF	
N#CCN(CCn1cnc2c(=O)[nH]c(N)nc21)CCP(=O)(O)O	95579389	YZGZVGYXKQWRLE-UHFFFAOYSA-N	341.268	-1.295	30	1	EAEF	
CC1=CC(=O)[C@H]2C[C@@H]1[C@@]2(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356666052	QMWLNTIQESGVGH-FIYBYKIKSA-N	328.361	-1.026	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@@](O)(CO)C/C1=N\[C@H](CO)C(=O)O	14611895	WXEQFJUHQIGKNG-ZSDSXRFRSA-N	332.309	-2.078	30	1	EAEF	endogenous,in-man
N#C[C@@H]1CSCN1C(=O)CN(N)C1CCN(CC(N)=O)CC1	49033725	JNWVMUITHOBBOL-LLVKDONJSA-N	326.426	-1.463	30	1	EAEF	
CO[C@H]([C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@@H](O)CO	64540706	ZFLJGAPPQIUCTG-OSHMXLEOSA-N	329.391	-4.209	30	1	EAEF	
Cc1ccc(/C=C2/N/C(=N\N=C/[C@H](O)[C@H](O)[C@H](O)CO)NC2=O)cc1	5832182	CXAGJOLFYDCXSS-SDXJIGDKSA-N	348.359	-1.528	30	1	EAEF	
CC(=O)N[C@@H](C(=O)N1CCC1)[C@H]1C[C@@H](C(=O)O)C[C@@H]1N=C(N)N	13560241	OZXOXSKHHIGIKG-VPOLOUISSA-N	325.369	-1.524	30	1	EAEF	
CCCCCC#Cc1nc(C(N)=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1	45254750	MXLILQDBARVXCC-SDBHATRESA-N	338.364	-1.080	30	1	EAEF	
C[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	2356369317	QMBUXWAVZQWFED-CEWDSHQASA-N	346.332	-2.563	30	1	EAEF	
O=C1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)Oc2ccccc2N1O	2356515431	OUSLYTBGQGKTME-PNQJMIKCSA-N	343.288	-2.056	30	1	EAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1	195452754	IZFWHMMSFXMNEO-XYRLSBRQSA-N	334.332	-1.836	30	1	EAEF	
CO[C@@]12[C@H](COC(=N)O)[C@@H]3C(=O)C(N)=C(C)C(=O)[C@]34N1C[C@H]1[C@@H]2[N@]14	2356703373	ZOVLGAUVYBEUSN-GEJCTWBMSA-N	334.332	-1.453	30	1	EAEF	
COC1=C(N[C@@H](CO)C(=O)O)C[C@](O)(CO)C/C1=N/CC(=O)O	238787446	HXQQNYSFSLBXQJ-BHXYOTEFSA-N	332.309	-2.078	30	1	EAEF	
O=C(N[C@@H]1CCCNC1)[C@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	169684712	OMBRYYNMYXZMPQ-OPRDCNLKSA-N	348.381	-1.142	30	1	EAEF	
CC=CC#CC#C[C@H](O)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356522229	ZSJISDBQQUKAGV-AYCBFJCHSA-N	326.345	-1.863	30	1	EAEF	
C=C(C)[C@H](NC(=O)[C@@H](CO)NC(=O)CCC[C@H](N)C(=O)O)C(=O)O	2356626749	HZFOVGNLNOVYNI-NGZCFLSTSA-N	345.352	-1.809	30	1	EAEF	
NC(=O)[C@@H]1C[C@H](NC(=O)[C@@H](N)CCC/N=C(/N)N[N+](=O)[O-])CN1	13559330	IUFRDGFKAVLPFZ-FXQIFTODSA-N	330.349	-3.478	30	1	EAEF	
C=CC[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@@H](O)[C@H](O)CO)O1	95607505	IUGVDRFIVSPVGO-NGBGQIEVSA-N	333.337	-2.246	30	1	EAEF	
CC1=C(N)C(=O)C2=C(C1=O)N1C[C@H]3[C@H](N3C)[C@]1(O)[C@H]2CC(=O)ON	100784840	SHHLNBHFDRJNDH-YNVAZYCYSA-N	334.332	-2.251	30	1	EAEF	
O=S(=O)(O)O[C@@H](CO)[C@H](O)C[S@@+]1C[C@@H](O)[C@H](O)[C@@H]1CO	379420242	SOWRVDSZMRPKRG-XFCLIPDUSA-O	335.376	-3.758	30	1	EAEF	
COC1=C(NCC(=O)O)C[C@](O)(CO)[C@@H](O)C1=N[C@H](C)C(=O)O	2356797671	OGXNUIXDQMTPKX-RWAWWYONSA-N	332.309	-2.079	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(\CO)C(=O)O[C@@H]1[C@@H](C)O[C@@H](O)[C@H](O)[C@H]1O	39177782	FFLUVDOEJBDSSD-SQJAGEFNSA-N	346.376	-1.007	30	1	EAEF	
N#C/N=C(\N)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nnnc(N)c12	28520816	MNANKRGEDNOVRU-JTFADIMSSA-N	334.296	-2.794	30	1	EAEF	
COC1=CC(=O)N[C@H](O)[C@]1(C#N)O[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O	2356431787	FOYFJRGETORFTE-JGNRQDDLSA-N	332.265	-3.999	30	1	EAEF	
COC1=CC(=O)N[C@@H](O)[C@@]1(C#N)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356867701	WUVMCCRKWLRPJP-SPNVECKXSA-N	346.292	-3.956	30	1	EAEF	
N[C@H](C(=O)N[C@H]1CCC(=O)N(CC(=O)NO)C1=O)[C@@H]1CCCN1	49072255	ASXSUHGUGUJDEH-LAEOZQHASA-N	327.341	-2.795	30	1	EAEF	
COC1=C(N[C@H](C(=O)O)[C@H](C)O)C[C@](O)(CO)CC1=NCC(=O)O	2356417430	AWCCBAPDJMUZOK-IVKINCQKSA-N	346.336	-1.689	30	1	EAEF	
N=C(NO)c1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(N)c1/C(N)=N/O	49017088	DVGZCWPQLSYPDX-MIJYXIMZSA-N	331.289	-3.525	30	1	EAEF	
N[C@@H](C=O)[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	100073095	DOVBXGDYENZJBJ-ONMPCKGSSA-N	341.313	-5.588	30	1	EAEF	in-vitro
O=C(NC1[C@@H]2CNC[C@@H]12)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O	100619621	NIWSIMMJVLMXQJ-BGZDPUMWSA-N	346.365	-1.677	30	1	EAEF	
O=[N+]([O-])c1ccccc1/C=N/O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	40763462	NFMNOZIGMJLMPP-PMJJJPILSA-N	328.277	-1.255	30	1	EAEF	
CC(=O)Nc1ccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	28525367	QUSHWGZQXAECSJ-QJBPYEAKSA-N	340.332	-1.205	30	1	EAEF	
O=[N+]([O-])c1cccc(/C=N/O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c1	40540431	QGTUTPLFQHSZPS-XURMZQLCSA-N	328.277	-1.255	30	1	EAEF	
NCCCC[C@H](NC(=O)CS)C(=O)N[C@@H](CC(=O)O)C(N)=O	49034366	GYHYBHYWUMTUNS-YUMQZZPRSA-N	334.398	-2.025	30	1	EAEF	
COC1=C(C)C(=O)C2=C(C1=O)[C-](COC(N)=O)[C@@]1(O)[C@@H]3[C@H](CN21)N3C	263614902	XZHLAASMHPDMBP-LREIXMIKSA-N	348.335	-1.317	30	1	EAEF	in-vitro
O=[N+]([O-])c1ccc(O)c(/C=N/O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1	299810033	DOSAKMAMRORHEC-RHPJLJNCSA-N	344.276	-1.549	30	1	EAEF	
O=S(=O)(O)O[C@H](CO)[C@@H](O)C[S@@+]1C[C@H](O)[C@@H](O)[C@@H]1CO	39028062	SOWRVDSZMRPKRG-CTBQBSIDSA-O	335.376	-3.758	30	1	EAEF	
NCCCC[C@H](N)C(=O)N[C@H](CCCN/C(N)=N\[N+](=O)[O-])C(N)=O	13531464	NRDGOJQPHWAEES-DTWKUNHWSA-N	346.392	-2.711	30	1	EAEF	
NC(N)=NC(=O)c1nc(Cl)c(NCCS(=O)(=O)O)nc1N	73138036	ZMWODSXHPANJFX-UHFFFAOYSA-N	337.749	-1.575	30	1	EAEF	
C=C[C@](C)(O)CCC=C(C)C(=O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O	2356413549	CTSFPRLVGFROJO-NXNLJZTQSA-N	346.376	-1.007	30	1	EAEF	
CC1=C(CO)C(C)(C)C=C(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1=O	2356610802	YQTJCDJCMPVAJX-HUGQBSPZSA-N	344.360	-1.396	30	1	EAEF	
C=C(C)[C@H](NC(=O)[C@H](CO)NC(=O)CCC[C@@H](N)C(=O)O)C(=O)O	2356626751	HZFOVGNLNOVYNI-YWVKMMECSA-N	345.352	-1.809	30	1	EAEF	
N#Cc1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	14975885	GCVKNFUDFHDSJQ-ZOQUXTDFSA-N	349.192	-2.863	30	1	EAEF	in-vitro
C[C@H](O)CC#CC#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O	84668967	CYQYTLPRNDFGAL-SCUASFONSA-N	334.328	-1.697	30	1	EAEF	
C#C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cc(C(N)=O)c2c(N)ncnc21	66252040	HRAYXWGUYHJDEA-MVNCPAOLSA-N	333.304	-2.273	30	1	EAEF	
N#C[C@]1(C(=O)O)[C@H](O)[C@H](CO)O[C@@H](n2ccc(=N)nc2O)[C@@H]1O	2356827956	IQYKIDQWYXWWFL-BOKUZIIVSA-N	326.265	-2.726	30	1	EAEF	
CC1(C)O[C@H]2[C@@H](O[C@@H]3OC(C)(C)O[C@H]23)[C@@H](C/N=C(\N)N=C(N)N)O1	26256246	OPYDLNQHQNFLKU-SOYHJAILSA-N	343.384	-1.029	30	1	EAEF	
C[C@H](N)CC[C@@H](N)CC(=O)N(C)[C@@H]1CN=C(/N=C(/N)O)NC1=O	26497304	RSOWUVVRECQPGV-DJLDLDEBSA-N	327.389	-1.983	30	1	EAEF	
CC1(C)[C@@H]2C[C@@H]1C(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)=CC2=O	2356446483	KKQXJIOGJNBCDL-POCIUGDCSA-N	328.361	-1.026	30	1	EAEF	
CC(=O)N[C@@H](C(=O)NC(C)C)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29565042	IOCVQVIUFPSTLP-XWLWVQCSSA-N	327.385	-1.232	30	1	EAEF	
OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O	143711238	BESOZFUJSSJTTH-HXHBHVAVSA-N	348.348	-2.685	30	1	EAEF	
O=C1N/C(=N/N=C\[C@H](O)[C@@H](O)[C@@H](O)CO)N/C1=C/c1ccccc1	195452763	IZFWHMMSFXMNEO-AMRMAONOSA-N	334.332	-1.836	30	1	EAEF	
CC[C@@H](O)C#CC#CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	2356755879	BCUZRKNMPRUXAE-VJQRDGCPSA-N	328.361	-1.639	30	1	EAEF	
CC(=O)CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CS)C(N)=O	48999339	QBSXYFPQRBGFJE-YUMQZZPRSA-N	333.366	-1.785	30	1	EAEF	
CC(=O)N[C@H](C(=O)NC(C)C)[C@H]1C[C@H](C(=O)O)C[C@@H]1N=C(N)N	29565038	IOCVQVIUFPSTLP-NAKRPEOUSA-N	327.385	-1.232	30	1	EAEF	
O=C(O)C1=C/C(=C/C=[N+]2\C[C@@H](O)C[C@H]2C(=O)O)C[C@@H](C(=O)O)N1	71756689	GVARXLMKUDMZFN-LSJOCFKGSA-O	325.297	-1.371	30	1	EAEF	
COC(=O)[C@H](CCN)NC(=O)[C@@H](N)CCCN/C(N)=N\[N+](=O)[O-]	13809547	MCWPKJKVTLRKRK-YUMQZZPRSA-N	333.349	-2.804	30	1	EAEF	
NN1C(=O)[C@H](CCO)S/C1=N/N=C1/S[C@H](CCO)C(=O)N1N	5811455	IXGCXOQYZIQOOT-NRPLXIDASA-N	348.410	-1.986	30	1	EAEF	
C=C[C@](C)(O)CC/C=C(/C)C(=O)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	14448108	IVWJMPAYYVHQPT-CMCVMMPVSA-N	346.376	-1.007	30	1	EAEF	endogenous,in-man
C[C@@H]1O[C@@H](OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C=O)[C@@H](O)[C@@H](O)[C@@H]1O	85534445	CPYCUQCIDSHOHI-XKNPMGCDSA-N	326.298	-4.527	30	1	EAEF	biogenic,in-vitro
OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@@H]4[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O	255207568	DRXHHSWFGHCUGX-YHPVUQFKSA-N	332.305	-2.953	30	1	EAEF	
C=C1[C@@H]2[C@H](C=CO[C@H]2O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@H]1O	2356627788	WGRQLYJSRDDYHN-RNDVCNJYSA-N	330.333	-1.774	30	1	EAEF	
CC=CC(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)=C1C(=O)CO[C@H]1CO	2356722765	PFKWBPMZMDYQSI-BWLPEFTISA-N	330.333	-1.379	30	1	EAEF	
CO/N=C(/C(=O)N[C@H]1CN(/N=C/C(=O)O)C1=O)c1csc(N)n1	29466937	QXNRCQTYCRNGMW-VBXKXFFHSA-N	340.321	-1.527	30	1	EAEF	
CS(=O)(=O)O[C@H]1[C@@H](CO)O[C@@H](n2cc(F)c(N)nc2=O)[C@@H]1O	168615983	JJPUHVOTYAYKFB-JAGXHNFQSA-N	339.301	-2.440	30	1	EAEF	
C=C(CO)[C@H]1CC[C@](C)(O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C1	14588917	DDQFHDNWZKJNLC-IYPABJCDSA-N	348.392	-1.729	30	1	EAEF	endogenous,in-man
C[C@@H](O)C#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)c2n1	26376018	VDHYEXXQSBQMES-ICLQFCSNSA-N	335.320	-2.248	30	1	EAEF	
C=CC[S@](=O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)C(=O)O	257440626	HXMZQSGMNGTGGB-WYMAEZEYSA-N	339.366	-3.235	30	1	EAEF	endogenous,in-man