smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)CO[C@@]2(O)CO)[C@H](O)[C@H](O)[C@@H]1O	4721319	SEWFWJUQVJHATO-PRCGHOILSA-N	342.297	-5.396	0	40	EAAB	
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C	5760810	NFXVNBXONQDRNM-BDNRQGISSA-N	331.350	-1.834	0	40	EAAB	
Cn1c(=O)[nH]c(=O)c2c1nc1scc(CN(CCO)CCO)n12	6668095	AVLYEWBJKYLUHM-UHFFFAOYSA-N	339.377	-1.277	0	40	EAAB	
O=C(O)COCC(=O)N[C@H]1CCC[C@H](n2ccc(O)nc2=O)[C@H]1O	257251537	JRDWILIBMPMXQZ-RVBZMBCESA-N	341.320	-1.379	0	40	EAAB	
COC(=O)[C@@H]1O[C@@H](Sc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O	8651711	PJFRVIWMZDBMEC-WIGMVQFUSA-N	342.333	-1.574	0	40	EAAB	
Cc1ccc(N2C[C@H](C(=O)NC(C(N)=O)C(N)=O)CC2=O)cc1F	42790150	NMODCFIAYCRDDF-MRVPVSSYSA-N	336.323	-1.058	0	40	EAAB	
CC(=O)N1CCN([C@@H]2CN(C(=O)CN3CCCC3=O)C[C@H]2O)CC1	257211520	BZECVNMUVMXALI-ZIAGYGMSSA-N	338.408	-1.655	0	40	EAAB	
COc1ccc(NC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1	1505840669	NQXIXLZKYYTTOK-UJPOAAIJSA-N	344.389	-1.219	0	40	EAAB	
COC(=O)[C@@H]1CCCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	27560883	GAXVZUPXWTYPPV-VIFPVBQESA-N	338.364	-1.124	0	40	EAAB	
CNC(=O)CS(=O)(=O)C1CCN(S(=O)(=O)N(C)C)CC1	96104230	YSDMULFSIAZQPG-UHFFFAOYSA-N	327.428	-1.582	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	100352149	DLRVVLDZNNYCBX-ARPVRJOBSA-N	342.297	-5.397	0	40	EAAB	
O=C(COCCO)NCCC[C@@H](NC(=O)COCCO)C(=O)O	247382720	JQCKMVRQFWKLQV-SNVBAGLBSA-N	336.341	-2.530	0	40	EAAB	
COc1ccc([C@H](O)[C@H](C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	253529651	JYWSARFDLXXOHT-ZSSCQYRQSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	605695144	DLRVVLDZNNYCBX-YJYIIOEDSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=S(=O)(N1CCOCC1)N1CC[C@H](O)[C@@H](N2CCOCC2)CC1	257266154	MBUOOHUYQXXMPR-KBPBESRZSA-N	349.453	-1.279	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N[C@H]2CCCCNC2=O)CC1	48009444	UEUZOQXIAGYOOW-NSHDSACASA-N	332.426	-1.652	0	40	EAAB	
O=c1ccc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1	519548	XHCADAYNFIFUHF-LFHLZQBKSA-N	340.284	-1.323	0	40	EAAB	biogenic,in-vitro
O=C(CO)[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	4353174	RULSWEULPANCDV-YXFBZZBZSA-N	342.297	-5.553	0	40	EAAB	
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1O	6932870	ZUPSABSQBFCIOU-KQXBOJKLSA-N	340.325	-3.716	0	40	EAAB	
CC(C)(C)[C@@]1(O)C[C@H]2OC(=O)C[C@@]23C(=O)O[C@@]2(O)OC(=O)[C@@H](O)[C@]312	584577023	DLMZRYRAKAOJTA-QGSDCOQASA-N	342.300	-1.424	0	40	EAAB	
CC(=O)N1CCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1	71927965	WDJHMLXGLIRFLY-UHFFFAOYSA-N	348.407	-1.012	0	40	EAAB	
CN1CCN(C[C@]2(O)CCN(C(=O)CCN3CCOCC3)C2)CC1	257218303	DCOWTXYETSBTHY-QGZVFWFLSA-N	340.468	-1.081	0	40	EAAB	
O=C(O)CCC(=O)N[C@@H]1C[C@H](O)[C@@H](n2ccc(O)nc2=O)[C@@H]1O	1848354861	RFQBWFKDPGUQGL-HBNNVMOKSA-N	327.293	-2.035	0	40	EAAB	
C[C@H]1[C@@H](n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21	1580185	LCONSCFTRQSKPM-GZMMTYOYSA-N	344.331	-1.310	0	40	EAAB	
COCCO[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@H](CO)[C@H]1O	85475063	PUDXUJRJLRLJIU-HMMKDHSLSA-N	325.325	-1.309	0	40	EAAB	
CS(=O)(=O)N1CC(C(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)C1	257229345	FXTCZBZUVLOQRA-VXGBXAGGSA-N	333.410	-2.218	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4896253	VEABMYFEYLXTSD-FULWYAMNSA-N	329.338	-1.965	0	40	EAAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	4097483	VSRVRBXGIRFARR-OUEGHFHCSA-N	326.298	-4.370	0	40	EAAB	in-vitro
O=C1NCCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1	13115596	BJHQZIOEAMVFJU-TXEJJXNPSA-N	336.392	-1.290	0	40	EAAB	
CC(C)NC(=O)CN(C)[C@@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	17306618	RNPOLOLGGKYEDY-VIFPVBQESA-N	339.396	-1.306	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CSc2nc(N)nc(N)n2)CC1	10030771	ISENVEINVIBDCD-UHFFFAOYSA-N	347.426	-1.768	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1OP(=O)(O)O	13424933	QDFHPFSBQFLLSW-KMPDEGCQSA-N	347.224	-1.863	0	40	EAAB	
CCOCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643913446	YFUSKJNOASQOTG-SJXGUFTOSA-N	349.424	-1.114	0	40	EAAB	
OCC1=C[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	4268354	RJWJHRPNHPHBRN-IFCOBFHTSA-N	346.332	-2.802	0	40	EAAB	biogenic,in-vitro
N[C@@H]1[C@H](O)O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H]1O	2060993439	QLTSDROPCWIKKY-MGXALKNZSA-N	340.329	-5.464	0	40	EAAB	
CC(=O)N1CCN(CCNC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1	89954509	MZDQWOQJXXIRHV-ZDUSSCGKSA-N	346.453	-1.116	0	40	EAAB	
C[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1N(C)C	78896420	FVQFQLRUKYXOGT-MNOVXSKESA-N	348.407	-1.158	0	40	EAAB	
CCN(CC)CCn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O	485704	MTIAAZFBFDTPDE-LLVKDONJSA-N	339.396	-1.408	0	40	EAAB	biogenic
CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@@]3(O)O[C@@H]12	57406608	UNFWWIHTNXNPBV-CNORRUIVSA-N	332.353	-2.926	0	40	EAAB	
NC(=O)c1c(N)ncn1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	88466335	UDYDDOATBNVEES-UUOKFMHZSA-N	338.213	-2.707	0	40	EAAB	in-vitro
CS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1	102325898	NREYDRSDQRDRSR-MMWGEVLESA-N	330.362	-1.256	0	40	EAAB	
O=C(NC[C@@H]1CNCCO1)N1CCN(S(=O)(=O)C2CC2)CC1	529344158	QPONQYXHQXWFJF-NSHDSACASA-N	332.426	-1.206	0	40	EAAB	
CN1CCN(CCO)C(=O)C12CCN(C(=O)c1ncn(C)n1)CC2	1565554656	XCXYCXZWFMKUQA-UHFFFAOYSA-N	336.396	-1.444	0	40	EAAB	
Nc1nc2c(ncn2[C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1	3869847	LTFMZDNNPPEQNG-HCWXCVPCSA-N	347.224	-1.541	0	40	EAAB	
OC[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	5226277	VQHSOMBJVWLPSR-JUUDDBOJSA-N	344.313	-5.761	0	40	EAAB	
NC(=O)c1ccc[n+]([C@H]2O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1	1532667	DAYLJWODMCOQEW-KBIXCLLPSA-O	335.229	-2.199	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1OC2=O	25757812	YWJXCIXBAKGUKZ-QHJGGDKESA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
O=C(Nc1c[nH]c(=O)[nH]c1=O)C(=O)N[C@@H](CO)Cc1ccccc1	36569508	RAJBYEDODOMHNP-SNVBAGLBSA-N	332.316	-1.279	0	40	EAAB	
COc1cc(C)nc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)n1	69630505	PBOWHGZOOVOFFC-UHFFFAOYSA-N	348.363	-1.006	0	40	EAAB	
NCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257237999	HJDNDWPCMOATTO-NRMKKVEVSA-N	326.353	-1.771	0	40	EAAB	
CN(C)C(=O)CN1CC[C@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1=O	585107851	SCQLFBKUQPJNHD-QWRGUYRKSA-N	334.380	-1.176	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2[C@H]3CS[C@H](O3)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	5573566	JZYBVBYQKHRNFI-HDSRXXRPSA-N	340.350	-3.635	0	40	EAAB	
N[C@@H]1[C@@H](O)O[C@@H](CO)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2N)[C@H]1O	2060993438	QLTSDROPCWIKKY-BDAHDTLFSA-N	340.329	-5.464	0	40	EAAB	
CC(=O)N1CCCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1	27565266	NXEWOIHHGICUDE-UHFFFAOYSA-N	348.407	-1.012	0	40	EAAB	
CNC(=O)[C@@]1(C)CN(C(=O)CN2CCN(CCO)CC2)CCO1	257202691	AMWPKXJOYAGRLL-OAHLLOKOSA-N	328.413	-2.040	0	40	EAAB	
NCCCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643551536	PTDXLMKMLDHBHY-RRCSTGOVSA-N	348.440	-1.412	0	40	EAAB	
Nc1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(Br)nc1-2	4964032	LTPDBNBCLYIPDB-FULWYAMNSA-N	346.141	-1.266	0	40	EAAB	
CNC(=O)CN1CCC(NC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	47594896	IHARUHUWSPYMEV-NSHDSACASA-N	332.426	-1.317	0	40	EAAB	
COc1ccc([C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](C)O)cc1	253529623	IBLFDTIZHJLTIF-HWKWBHLSSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
O=C(O)CNC(=O)C[C@H]1SC(NNC2=NC(=O)SC2)=NC1=O	13523110	ZBVNZZFYPCFZNZ-SCSAIBSYSA-N	345.362	-1.065	0	40	EAAB	
OC[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	253617812	VQHSOMBJVWLPSR-QOQITSPYSA-N	344.313	-5.761	0	40	EAAB	endogenous,in-man
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CN2CC(O)C2)C1	585291892	VBQLSTRLXMGVCB-KGLIPLIRSA-N	328.390	-1.541	0	40	EAAB	
O=C(O)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	1782261	QMTQDSJWWLCMNM-LEGDSPTNSA-N	339.308	-1.676	0	40	EAAB	
CC(C)[C@@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	5733377	AWBPCEJUIMAFQR-OARKNVLMSA-N	349.384	-3.610	0	40	EAAB	
NC(=O)C1CCN(C(=O)CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	36365802	CEOQOAXGQSKCKS-SNVBAGLBSA-N	346.409	-1.803	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O)CO[C@@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O	12870181	SEWFWJUQVJHATO-DJHAAKORSA-N	342.297	-5.396	0	40	EAAB	biogenic
CC(=O)Nc1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)cc1	4523469	IPROLSVTVHAQLE-CYRBOEJBSA-N	327.289	-1.084	0	40	EAAB	
CC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	5706638	YYZJRQOAVRANIE-XGEHTFHBSA-N	344.368	-1.890	0	40	EAAB	
C[C@]1(O)C[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]21	34277952	VELYAQRXBJLJAK-ZOHYXFEWSA-N	348.348	-2.579	0	40	EAAB	biogenic,in-vitro
Cn1ccc(C(=O)NCC(=O)N2CCN(S(C)(=O)=O)CC2)n1	96192325	TVNHGSREXZMNKN-UHFFFAOYSA-N	329.382	-1.746	0	40	EAAB	
O=C1[C@@H]2[C@H]3[C@H]4C=C[C@@H]([C@H]5C(=O)N(CO)C(=O)[C@H]45)[C@H]3[C@H]2C(=O)N1CO	101237308	PCKOSQUZBKKIPS-HGOBXLMCSA-N	332.312	-1.850	0	40	EAAB	
NC(=O)c1csc([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)n1	5461011	XDDGVTBJYGSVPM-BNHYGAARSA-N	340.250	-1.487	0	40	EAAB	
OC[C@@H]1O[C@](CO)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	4556540	CZMRCDWAGMRECN-ZQKCVPEJSA-N	342.297	-5.396	0	40	EAAB	in-man
COCCn1c(N)c(C(=O)CN(CCO)CC2CC2)c(=O)[nH]c1=O	69774203	CWMOYUDNQZTSGE-UHFFFAOYSA-N	340.380	-1.348	0	40	EAAB	
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	33982313	QIGJYVCQYDKYDW-TXYCDVDISA-N	342.297	-5.397	0	40	EAAB	in-vitro
CC(=O)N[C@H](CC(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CO)C(=O)O	253388165	OSDHWYZIXWDLGD-FBIMIBRVSA-N	331.369	-1.396	0	40	EAAB	biogenic,in-vitro
N=c1ccn(CC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)n1CCO	604936288	PIHVDRSNPCHIPK-BXKDBHETSA-N	339.377	-1.658	0	40	EAAB	
CCOC(=O)C(Cc1c[nH]c(=O)[nH]c1=O)(NC(C)=O)C(=O)OCC	1708263	BQARUKYCEDGKGA-UHFFFAOYSA-N	341.320	-1.393	0	40	EAAB	
Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCNC(=O)C3)[C@@H]2O)c1	257253720	JZZVCAFQNRARDC-GIPNMCIBSA-N	343.409	-1.978	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	1723973	VEABMYFEYLXTSD-FTWQFJAYSA-N	329.338	-1.965	0	40	EAAB	
COC(=O)C[C@]1(C(=O)OC)[C@H](C(=O)OC)C(C(=O)OC)=NN1C	8648317	CMGAWVNCYYGOLB-ISVAXAHUSA-N	330.293	-1.275	0	40	EAAB	
CCn1c(S(=O)(=O)CCC(=O)O)nc2c(=O)n(C)c(=O)n(C)c21	33274168	UZJCWGQTSKLSPO-UHFFFAOYSA-N	344.349	-1.298	0	40	EAAB	
CN(C)c1nc(CNS(=O)(=O)N(C)C)nc(N2CCOCC2)n1	575607531	OKKLLHYPNLPZHX-UHFFFAOYSA-N	345.429	-1.330	0	40	EAAB	
O=[N+]([O-])Nc1nc(Cc2nc(N[N+](=O)[O-])nn2CO)n(CO)n1	12362080	OULOBOLJTYIDPJ-UHFFFAOYSA-N	330.221	-2.433	0	40	EAAB	
Cn1cc([C@@H]2NC(=O)c3ccccc3N2CC(N)=O)c(=O)n(C)c1=O	36394105	UVHJZBMHWZRZGC-CYBMUJFWSA-N	343.343	-1.182	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	3201893	UDMBCSSLTHHNCD-HUEBKHCJSA-N	347.224	-1.863	0	40	EAAB	in-vitro
O=S1(=O)C[C@H]2NC(=S)N(c3nc(O)c4nc[nH]c4n3)[C@@H]2C1	575422191	NBQRBMIUKHXNAA-RFZPGFLSSA-N	326.363	-1.081	0	40	EAAB	
O=c1cnn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	4705961	LRVZOSYMNMNQFR-HJEFZAFNSA-N	325.170	-3.340	0	40	EAAB	
CC(=O)[C@@H](O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@]1(O)C(C)=O	117234297	VEGKIJPROJEVDY-ZHSDAYTOSA-N	326.305	-1.597	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)c2ccnn2C)CCN(S(C)(=O)=O)C1	257218231	DCIOHXQQIXZPQP-SNVBAGLBSA-N	343.409	-1.500	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N2CCOCC2)C[C@H](C(N)=O)C1	257242694	IDSKMZPLZUESIA-NSHDSACASA-N	348.425	-2.476	0	40	EAAB	
CNC(=O)CN1CCC(NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1	47594895	IHARUHUWSPYMEV-LLVKDONJSA-N	332.426	-1.317	0	40	EAAB	
C[C@@H]1CN(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)C[C@@H](C)O1	69696438	XVPOWUAYJABPCB-NXEZZACHSA-N	342.443	-1.839	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@H]1O	79460727	GNZLUJQJDPRUTD-GAWUUDPSSA-N	346.325	-2.752	0	40	EAAB	in-vitro
O=C(NC[C@H]1CNCCO1)N1CCN(S(=O)(=O)C2CC2)CC1	529344157	QPONQYXHQXWFJF-LLVKDONJSA-N	332.426	-1.206	0	40	EAAB	
Cc1nc2c(=O)[nH]c(=O)nc-2n(C[C@H](O)[C@H](O)[C@H](O)CO)c1C	4096380	SXDXRJZUAJBNFL-XKSSXDPKSA-N	326.309	-2.877	0	40	EAAB	endogenous,in-man
OC[C@@H]1O[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	4556541	CZMRCDWAGMRECN-BOWHPHLESA-N	342.297	-5.396	0	40	EAAB	in-man
CO[C@@H]1[C@H](OC)COC[C@H]1N(C)C(=O)C1CN(S(C)(=O)=O)C1	585288258	SLABXKBDAWGAKX-UTUOFQBUSA-N	336.410	-1.235	0	40	EAAB	
O=C(C(=O)N1CCN(c2ccc3nnnn3n2)CC1)N1CCOCC1	14181444	UIQOKCHBLQYXNH-UHFFFAOYSA-N	346.351	-1.973	0	40	EAAB	
O=C(Cn1ncccc1=O)NCCn1c(=O)[nH]c2ncccc2c1=O	225795595	SGXNGFQPHKPDAB-UHFFFAOYSA-N	342.315	-1.542	0	40	EAAB	
COc1cnc(C(=O)N2C[C@@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)nc1	1565544239	BXVUVMTUQKYNST-MNOVXSKESA-N	342.377	-1.030	0	40	EAAB	
NC(=O)C(C(N)=O)([C@@H]1C=CS(=O)(=O)C1)[C@@H]1C=CS(=O)(=O)C1	5185478	UEDWDTYHGUDMMG-HTQZYQBOSA-N	334.375	-1.940	0	40	EAAB	
O=C1N[C@@H]2[C@H](c3cc4c(c(O)c31)OCO4)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O	8659507	VREZDOWOLGNDPW-KSGXSPIASA-N	325.273	-2.226	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1	17067668	NREYDRSDQRDRSR-RCWTZXSCSA-N	330.362	-1.256	0	40	EAAB	
CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@@H]2COCCO2)CCO1	681942791	QDLUUQAIAIVOMK-NEPJUHHUSA-N	330.337	-1.438	0	40	EAAB	
Nc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	4429545	VZBMXGFETMNGKT-SVNGYHJRSA-N	334.350	-2.653	0	40	EAAB	
O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	29241685	XCAXTILLADBPII-FTWQFJAYSA-N	347.125	-1.506	0	40	EAAB	
CNC(=O)[C@@H]1CN(S(C)(=O)=O)CCN(S(=O)(=O)N(C)C)C1	257344579	ZXXKETGLJRZYAG-SECBINFHSA-N	342.443	-2.268	0	40	EAAB	
COCC(=O)NC[C@@H]1NC[C@@H]2C[C@H](NC(=O)NC(C)C)CN2C1=O	2332242228	TVHHZMMVZRCDHN-SRVKXCTJSA-N	341.412	-1.602	0	40	EAAB	
CN1C[C@@H]2C[C@H](NS(C)(=O)=O)CN2C(=O)[C@@H]1CNC(=O)C1CC1	2332242245	VFLDXNGAUBFQFJ-SRVKXCTJSA-N	344.437	-1.655	0	40	EAAB	
O=C(O)CNC(=O)C[C@H]1SC(NNC2=NC(=O)CS2)=NC1=O	9348652	MMDMOGHNZUGBGV-SCSAIBSYSA-N	345.362	-1.701	0	40	EAAB	
COC(=O)[C@H](Cc1ccc(OCC(=O)CO)cc1)NC(=O)CO	2060999731	TWGTZWUHJXINPW-ZDUSSCGKSA-N	325.317	-1.181	0	40	EAAB	
O=c1ccc2ccc(O)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2o1	31157928	MMPBHSBVPREJQC-GCJOFGIHSA-N	340.284	-1.323	0	40	EAAB	biogenic,in-vitro
Cn1cnc(C(=O)N2CC3(C2)CN(S(C)(=O)=O)c2nccnc23)n1	1565556444	UCSKUBVSWJGKJQ-UHFFFAOYSA-N	349.376	-1.222	0	40	EAAB	
CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](C)O)CC1	4318059	VMBSNKLCTUFEHQ-SNVBAGLBSA-N	336.396	-1.054	0	40	EAAB	
O=c1nc(N2CCSCC2)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5496897	ZSOPROSVGHGXAS-JTLRNRKASA-N	329.378	-1.592	0	40	EAAB	
O=C(O)C[C@@]1(O)[C@](O)(CC(=O)O)[C@H]2OC[C@@H](O2)[C@]1(O)CC(=O)O	103572089	UIQGOZZVYGAOPN-SFOQFENCSA-N	336.249	-2.641	0	40	EAAB	
O=C1C[C@@H](N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C(=O)N1	514946961	OBQMSNPVQDDUPB-GFCCVEGCSA-N	346.391	-1.150	0	40	EAAB	
OCC1=C[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	2049243873	RJWJHRPNHPHBRN-GLBFMCIGSA-N	346.332	-2.802	0	40	EAAB	
C[C@H]1[C@H](n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21	1580187	LCONSCFTRQSKPM-KWQFWETISA-N	344.331	-1.310	0	40	EAAB	
O=C(O)CC[C@H](NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)O	65742763	RALMEYHIPGGEHB-MLBSCHOTSA-N	325.270	-4.144	0	40	EAAB	in-vitro
NCCCC[C@H](NC(=O)[C@H](C[C@@H]1C=NC=N1)NC(=O)CN)C(=O)O	103638763	GOIFQVQMXRRUSW-VWYCJHECSA-N	340.384	-2.000	0	40	EAAB	
Cn1nc2c(cc1=O)CN(CC(=O)N[C@@H]1CCCCNC1=O)CC2	72302411	GKHZZSWLXDFVHR-CYBMUJFWSA-N	333.392	-1.077	0	40	EAAB	
Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1	5370486	JXXIHCTVRGEYLX-OJAKKHQRSA-N	348.315	-1.303	0	40	EAAB	
CC1=NN(CC(N)=O)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1	9707515	MRRISLNKGOHDGX-UHFFFAOYSA-N	348.323	-2.937	0	40	EAAB	
Nc1nc(Br)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1	4743792	JEAGSZXYGSYKJX-HAVMAKPUSA-N	346.141	-1.218	0	40	EAAB	
Cn1c(=O)c2nc([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[nH]c2n(C)c1=O	8614194	WPGZMGGAJDIXIH-JBBNEOJLSA-N	330.297	-3.931	0	40	EAAB	
COc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	5712999	BVQSERHIUBPCKW-CNABLZDZSA-N	329.309	-2.158	0	40	EAAB	
Cc1nnc(NC(=O)COC(=O)Cn2ccc(=O)[nH]c2=O)s1	10039218	OPUYYGRRWQZJEA-UHFFFAOYSA-N	325.306	-1.122	0	40	EAAB	
CC(=O)N1CCCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	24710744	PETWXMMZFDLDNA-UHFFFAOYSA-N	344.393	-1.673	0	40	EAAB	
Cc1cnn(CC(=O)NCCN2CCN(S(C)(=O)=O)CC2)c1	58380183	IKNQEBKQHASKCB-UHFFFAOYSA-N	329.426	-1.115	0	40	EAAB	
CS(=O)(=O)N1CCN(CC2(O)CCOCC2)C[C@@H](C(N)=O)C1	257283428	OYHBFUHAMRKOKV-LLVKDONJSA-N	335.426	-1.793	0	40	EAAB	
OC[C@@H]1O[C@H](NNC(=S)Nc2ccccc2)[C@H](O)[C@H](O)[C@H]1O	408723372	UBGNAFIGZJRNHM-HGCLJGPKSA-N	329.378	-1.723	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@H](O)[C@@H]1O	79460732	GNZLUJQJDPRUTD-XJCFNFQFSA-N	346.325	-2.752	0	40	EAAB	in-vitro
NC(=O)C(NC(=O)NC[C@H]1CCN(CC(F)(F)F)C1)C(N)=O	45440746	MQCWTMOLXLTGHT-ZCFIWIBFSA-N	325.291	-1.491	0	40	EAAB	
O=C1[C@H]2C3C=CC([C@@H]4C(=O)N(CCO)C(=O)[C@H]34)[C@H]2C(=O)N1CCO	15007527	IYRBGBHQRCADLS-TZGWRFBESA-N	334.328	-2.011	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CNC(=O)c2cnccn2)CC1	72405489	LVJYWFTWHBYMNL-UHFFFAOYSA-N	327.366	-1.690	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)c2ccc(-n3cncn3)nn2)CC1	96097852	VLBFQCQVNYAYGQ-UHFFFAOYSA-N	337.365	-1.225	0	40	EAAB	
O=[N+]([O-])c1ccc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	65740582	XAJUPNGKLHFUED-KNZXXDILSA-N	346.248	-1.318	0	40	EAAB	
CC(=O)NC[C@]1(O)CCN(C(=O)Cn2cc(Cl)cn2)C[C@H]1O	257313111	URCGVABVIXVAAL-DGCLKSJQSA-N	330.772	-1.003	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O	96347624	HBLDEJIWUSWMBO-NFNBNWGISA-N	333.197	-1.906	0	40	EAAB	
NC(=O)C(NC(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O)C(N)=O	53301684	DTDHPOFXZPYZBF-SSDOTTSWSA-N	340.286	-1.227	0	40	EAAB	
Cc1ncccc1C(=O)N1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1	257241448	HYBJIFCQPDTTFA-TZMCWYRMSA-N	343.405	-1.123	0	40	EAAB	
NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@H](O)[C@H](O)CO)cc1	104040879	BHICWQFHRMFGGB-OPRDCNLKSA-N	348.333	-3.083	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	599389313	GUBGYTABKSRVRQ-MJUCLJCLSA-N	342.297	-5.397	0	40	EAAB	
Cc1cn2c(=O)c3ncn([C@@H]4O[C@@H](CO)[C@@H](O)[C@@H]4O)c3n(C)c2n1	5504170	JCZSFCLRSONYLH-ZLGIUQBVSA-N	335.320	-1.697	0	40	EAAB	
COCCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21	230402607	DLLBJSLIKOKFHE-LQTJEWOUSA-N	341.324	-2.016	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	18033592	HDTRYLNUVZCQOY-JILIELIZSA-N	342.297	-5.397	0	40	EAAB	biogenic,in-man
CC(=O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4800380	ZQLBHQSQMQLFBM-ARFNZGECSA-N	348.304	-1.551	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)NCC(=O)O)[C@@H](O)[C@@H]1O	5010516	MJEKUTDBGOEGON-ZNWBZCOPSA-N	338.280	-2.772	0	40	EAAB	
OCC1=C[C@@H](O)[C@@H]2C=CO[C@H]([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]12	5051731	CCPQRXZQVYHQNX-XZSAHJKXSA-N	330.333	-2.733	0	40	EAAB	
COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1	13514661	INSAQPSCUXYJAY-ZHZXCYKASA-N	344.316	-1.340	0	40	EAAB	biogenic
CS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1	225927091	NREYDRSDQRDRSR-ZDCRXTMVSA-N	330.362	-1.256	0	40	EAAB	
Nc1nc(=O)c2c3c(N)ncnc3n([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1	17064641	SNKLMUGPSNINBD-YJMZUNRSSA-N	349.307	-2.556	0	40	EAAB	
C[C@H](O)COc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	205412782	HLFWWFZDUMLOEE-RBXMUDONSA-N	325.325	-1.191	0	40	EAAB	
COCCCn1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12	4314192	UYUZSUWDUIPJCP-UHFFFAOYSA-N	348.363	-1.020	0	40	EAAB	
N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H]1O	247658130	QLTSDROPCWIKKY-MNNFIPLDSA-N	340.329	-5.464	0	40	EAAB	
O=C(O)CN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccccc1	575423014	NIYLKBWPJFTSQK-WDEREUQCSA-N	349.386	-1.080	0	40	EAAB	
CCOC(=O)N1CCN(C(=O)Cn2cnc3c(nnn3C)c2=O)CC1	13531109	NILGOCHNVOSKEQ-UHFFFAOYSA-N	349.351	-1.174	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	71789703	SERLAGPUMNYUCK-PUGXJXRHSA-N	344.313	-5.761	0	40	EAAB	in-vitro
CCS(=O)(=O)C([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O)S(=O)(=O)CC	85210431	GAYPCIYXXTVAMZ-RBXMUDONSA-N	334.412	-2.355	0	40	EAAB	in-vitro
CN(C)c1nc(CNC(=O)Cn2ncccc2=O)nc(N(C)C)n1	575605469	AXLRLMRCSQFJKD-UHFFFAOYSA-N	332.368	-1.123	0	40	EAAB	
O=P(O)(O)OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H]1O	3869915	RNBGYGVWRKECFJ-BXKVDMCESA-N	340.114	-2.986	0	40	EAAB	
CCn1cc(C(=O)N2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)cn1	257315750	VCPQNQJRKWWBKI-NSHDSACASA-N	343.409	-1.278	0	40	EAAB	
Nc1cnn([C@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)c(=O)n1	11866640	JXXIHCTVRGEYLX-XEZLXBQYSA-N	348.315	-1.303	0	40	EAAB	
COc1ccc([C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)cc1	35465311	IBLFDTIZHJLTIF-GKXKPGAUSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
CN(C)c1nc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1	575605082	HESRLEBLERUHKH-UHFFFAOYSA-N	347.383	-1.167	0	40	EAAB	
NNc1c(C(N)=O)c2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5011741	XCAQHWQRKUEFKS-YWARTMNGSA-N	339.312	-2.991	0	40	EAAB	in-vitro
CCCn1ccc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)n1	257243164	IFRMAAJYPOWYBP-YPMHNXCESA-N	346.409	-1.610	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2O	19323012	SROWMOMOKMQMBI-XMUMWAQBSA-N	332.397	-3.233	0	40	EAAB	biogenic
CCC12CN3CC(CC)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)CO)C2=O	19323119	DDFSYXNAYCTMRJ-ULOMOPDLSA-N	328.409	-1.606	0	40	EAAB	biogenic
COc1cc(CCCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	35455581	QFYFLJZBZITPGX-IBEHDNSVSA-N	344.360	-1.201	0	40	EAAB	biogenic,in-vitro
NC(=S)c1c(N)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12	5011623	HPCAEYRDTFITHI-GTWRCXMXSA-N	340.365	-2.159	0	40	EAAB	
CC(=O)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1	5063309	OOKFNXQNFKPUCA-RFQIPJPRSA-N	327.333	-1.577	0	40	EAAB	
CN(C)CCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC(=O)c1ccco1	20464926	NVGVAFRCUILSBI-CBBWQLFWSA-N	341.408	-1.008	0	40	EAAB	biogenic,in-vitro
NC(=O)CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O	43110657	XLEOQFGDTLKIHI-UHFFFAOYSA-N	333.142	-1.319	0	40	EAAB	
NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1	104040884	BHICWQFHRMFGGB-BBBLOLIVSA-N	348.333	-3.083	0	40	EAAB	
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1	36385547	ZIJIVXQYSFDFGT-IUCAKERBSA-N	331.437	-1.378	0	40	EAAB	
CN1C(=O)N(C)C(=O)C(O)(C2(O)C(=O)N(C)C(=O)N(C)C2=O)C1=O	1709821	RPUHUBBSMULFQR-UHFFFAOYSA-N	342.264	-3.451	0	40	EAAB	
CCS(=O)(=O)C([C@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)S(=O)(=O)CC	5437760	GAYPCIYXXTVAMZ-LURQLKTLSA-N	334.412	-2.355	0	40	EAAB	
CNC(=O)[C@@H]1CN(C)CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1	257219176	DFWRBXWFWKOQNL-SNVBAGLBSA-N	339.396	-1.547	0	40	EAAB	
O=C1NC(=O)C([C@H]2c3ccccc3O[C@H]3NC(=O)NC(=O)[C@H]23)C(=O)N1	6243657	XNPQLYJTKLQWNE-BZTNIEFMSA-N	344.283	-1.074	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1	102325904	NREYDRSDQRDRSR-NAKRPEOUSA-N	330.362	-1.256	0	40	EAAB	
CCCn1c(N)c(C(=O)COC(=O)c2nccnc2N)c(=O)[nH]c1=O	10140995	WFYLLDBZZXVUJX-UHFFFAOYSA-N	348.319	-1.059	0	40	EAAB	
CNC(=O)[C@@H]1CN(C)CCN(C(=O)CN2CCN(CCO)CC2)C1	257253850	KANHABLDZXLLLO-CQSZACIVSA-N	341.456	-2.268	0	40	EAAB	
O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	9208911	XCAXTILLADBPII-HAVMAKPUSA-N	347.125	-1.506	0	40	EAAB	
COc1ccnc(N2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)n1	57253894	GUBTXPGIPREUSW-SECBINFHSA-N	334.336	-1.268	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1c(=O)oc2ccccc21	62001311	QGEMCCHZKBTJJI-DHGKCCLASA-N	338.316	-1.289	0	40	EAAB	biogenic
CC[C@@]1(C)NC(=O)N(NC(=O)CNC[C@@H]2CN(C)CCO2)C1=O	72267962	HAHDQNGCVWSEPB-QMTHXVAHSA-N	327.385	-1.342	0	40	EAAB	
Cn1cnc(S(=O)(=O)N[C@@H]2CC[C@@H](N3CCOCC3)[C@@H]2O)c1	257230444	GCJDBMPRBCSCHR-NQBHXWOUSA-N	330.410	-1.078	0	40	EAAB	
COCC(=O)N[C@H]1CO[C@@H](CN2CCCN(C(C)=O)CC2)[C@@H]1O	514289089	NTMTZFFTEBTQIS-KCQAQPDRSA-N	329.397	-1.569	0	40	EAAB	biogenic,in-vitro
OC[C@@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H](O)[C@H]1O	36532621	SERLAGPUMNYUCK-HLPAEUOUSA-N	344.313	-5.761	0	40	EAAB	endogenous,in-man
NS(=O)(=O)c1cc2c(cc1Cl)N(CO)CNS2(=O)=O	44699619	HPPIFDULMJZMHX-UHFFFAOYSA-N	327.771	-1.007	0	40	EAAB	in-vitro
CCN(C(=O)CNC[C@@H]1CN(C)CCO1)[C@@H]1CCS(=O)(=O)C1	69564993	YECOIEKSZIEREN-CHWSQXEVSA-N	333.454	-1.058	0	40	EAAB	
O=C(CO)[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	100031805	PFCRQPBOOFTZGQ-RGXJTGTOSA-N	342.297	-5.553	0	40	EAAB	in-vitro
C[C@@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	34032753	VSRVRBXGIRFARR-ALZNUFMXSA-N	326.298	-4.370	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3830180	UDMBCSSLTHHNCD-WDHZHIADSA-N	347.224	-1.863	0	40	EAAB	in-vitro
CSc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5546020	GDRCBFJQUZIOSW-UUOKFMHZSA-N	329.338	-1.965	0	40	EAAB	
OC[C@H]1O[C@@H](OC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	12953178	DLRVVLDZNNYCBX-HPMVBDDHSA-N	342.297	-5.397	0	40	EAAB	in-vivo,metabolite
O=C(CCn1ccc(=O)[nH]c1=O)N1CCN(CCn2cccn2)CC1	62153598	IELDMISOMMXQSI-UHFFFAOYSA-N	346.391	-1.032	0	40	EAAB	
COCCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643913290	PIYVYOSVOFQQKN-SJXGUFTOSA-N	349.424	-1.114	0	40	EAAB	
O=C(O)[C@@H](Cc1ccccc1)NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4530275	OTXTVZCNOLCXPB-SYLRKERUSA-N	343.332	-2.766	0	40	EAAB	
O=C(N[C@@H](CO)C(=O)O)c1ccc(C(=O)N[C@@H](CO)C(=O)O)cc1	5944693	NUOVFKCEGMHKTG-UWVGGRQHSA-N	340.288	-1.963	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O	253475980	CPWDQTVVDKAHLL-NLRWUALESA-N	341.316	-1.293	0	40	EAAB	
CN1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC(=O)c2ccco2)CC1	20465113	RZQFFNLRAYSEQI-CBBWQLFWSA-N	339.392	-1.254	0	40	EAAB	biogenic,in-vitro
O=c1ccc2cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	43465398	XHCADAYNFIFUHF-HUGQBSPZSA-N	340.284	-1.323	0	40	EAAB	aggregator,biogenic,in-vitro
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	12953172	DLRVVLDZNNYCBX-VHBGUFLRSA-N	342.297	-5.397	0	40	EAAB	in-vivo,metabolite
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O	39946943	QIGJYVCQYDKYDW-VZGRRIPQSA-N	342.297	-5.397	0	40	EAAB	in-vitro
C[C@@]1(O)C[C@H](O)CN(C(=O)CCN)C[C@H]1n1cnc2c(N)ncnc21	257235508	GYDUJOOKKZQMDI-FEUHOPSXSA-N	349.395	-1.357	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	1571045	UDMBCSSLTHHNCD-HGOUYRHRSA-N	347.224	-1.863	0	40	EAAB	in-vitro
O=C(O)/C=C/C(=O)N[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C=C/C(=O)O	12176516	ICZJUCYXCXMUFC-KVHBAYEWSA-N	346.317	-2.334	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)O)CC1	17067666	NREYDRSDQRDRSR-YTWAJWBKSA-N	330.362	-1.256	0	40	EAAB	
Cn1c(CS(=O)(=O)CCC(=O)NC(N)=O)cc(=O)n(C)c1=O	44954047	CRTKOSVUCRCDIC-UHFFFAOYSA-N	332.338	-2.416	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(C(=O)O)cc1	62725182	ZZGOODZEYMETHT-AIUMHDJVSA-N	341.316	-1.293	0	40	EAAB	
OC[C@H]1O[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O	15657731	HIWPGCMGAMJNRG-LFWCVFAXSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CN(CC(=O)O)S(=O)(=O)c1ccc2[nH]c(=O)n(C)c(=O)c2c1	40546300	CZMISJUCDJUGJK-UHFFFAOYSA-N	327.318	-1.068	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(C)=O)CCN(S(=O)(=O)N2CCOCC2)C1	257272672	NDJRVQKMGUGWSX-GFCCVEGCSA-N	348.425	-1.910	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	1857776327	HDTRYLNUVZCQOY-IHROSOCLSA-N	342.297	-5.397	0	40	EAAB	
CN(C)C[C@H]1CN(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CCO1	69773697	TYAUPPFLSQCVNW-OLZOCXBDSA-N	333.454	-1.106	0	40	EAAB	
CNC(=O)[C@H]1C[C@@H]2CN(C(=O)c3ccno3)C[C@@H]2N1S(C)(=O)=O	107197294	UDVAWOZAOVFRQI-BBBLOLIVSA-N	342.377	-1.105	0	40	EAAB	
O=c1nc(N2CCSCC2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5496896	ZSOPROSVGHGXAS-GMNPVEAJSA-N	329.378	-1.592	0	40	EAAB	
COc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	5712998	BVQSERHIUBPCKW-AAQQEJRNSA-N	329.309	-2.158	0	40	EAAB	
COCC(=O)NC[C@@]1(O)COCCN(S(=O)(=O)c2cn[nH]c2)C1	257209823	BRZYCXYIWUKDCN-LBPRGKRZSA-N	348.381	-2.076	0	40	EAAB	
CN(C)CCC(=O)N1CC(O)(CNC(=O)c2ccc(C(N)=O)[nH]2)C1	1046737885	YZWGKFBOSKKGNV-UHFFFAOYSA-N	337.380	-1.632	0	40	EAAB	
Cn1c(=O)c2nc([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)[nH]c2n(C)c1=O	8612351	WPGZMGGAJDIXIH-XVFCMESISA-N	330.297	-3.931	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	12358758	GUBGYTABKSRVRQ-PDDHXKFQSA-N	342.297	-5.397	0	40	EAAB	in-vitro
NC(=O)C(NC(=O)NC1CCN(Cc2ccccn2)CC1)C(N)=O	45440747	YMDYKFAFTWOHFN-UHFFFAOYSA-N	334.380	-1.316	0	40	EAAB	
Cn1c(=O)[nH]c2ccc(S(=O)(=O)N[C@@H]3CCOC3=O)cc2c1=O	55175475	SRGVLEJJHRWHKY-SNVBAGLBSA-N	339.329	-1.179	0	40	EAAB	
Cn1c(=O)c2c(nc(CN3CCCCC3)n2CC(N)=O)n(C)c1=O	392113	IDDIPTARYXBIOE-UHFFFAOYSA-N	334.380	-1.095	0	40	EAAB	
NC(=S)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12	4822747	XZOKDXWQSCIKCM-HIFLKKFUSA-N	325.350	-1.741	0	40	EAAB	
O=C1NC(=O)C([C@@H]2c3ccccc3O[C@H]3NC(=O)NC(=O)[C@H]32)C(=O)N1	6243682	XNPQLYJTKLQWNE-WIMUKIRHSA-N	344.283	-1.074	0	40	EAAB	
O=S1(=O)CC[C@@H](NNC(=S)N[C@@H]2CCS(=O)(=O)C2)C1	6303355	VDNOSIVUSRWVGX-HTQZYQBOSA-N	327.453	-1.671	0	40	EAAB	
COc1cc(CO[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O	253532336	VZSGMNVXQXYFPI-XKNKYKOPSA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
CO[C@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)O)[C@@H](O)S(=O)(=O)O	5052353	DLJVRBPNTDBJJO-OMMKOOBNSA-N	326.301	-3.251	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4095787	QIGJYVCQYDKYDW-UCXVSJSASA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cc1ccc(C2=NN[C@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S2)cc1	4351045	DIXHZOQDZWHDET-SSKLVLDBSA-N	328.390	-1.245	0	40	EAAB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCC1(C(N)=O)CCOCC1	52743873	IQCYRRRDEVPHIE-UHFFFAOYSA-N	338.364	-1.297	0	40	EAAB	
CN(C)CCNc1c(NC[C@H](O)CN2CCOCC2)c(=O)c1=O	101698645	WMPHDWVJFLIECD-NSHDSACASA-N	326.397	-1.639	0	40	EAAB	
O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@](O)(CN2CCOCC2)C1	257302497	SDDQOGQULJLKSH-JSGCOSHPSA-N	332.422	-1.283	0	40	EAAB	
CCSC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	4544085	HMFDVPSBWOHOAP-HTQZYQBOSA-N	335.382	-1.383	0	40	EAAB	
NC(=O)C(C(N)=O)([C@@H]1C=CS(=O)(=O)C1)[C@H]1C=CS(=O)(=O)C1	16137483	UEDWDTYHGUDMMG-OCAPTIKFSA-N	334.375	-1.940	0	40	EAAB	
CSCC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	71841999	ZSZMBONGTARNMQ-UHFFFAOYSA-N	336.483	-1.014	0	40	EAAB	
NCCN([C@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccccc1	575421316	HUZHEPUHWUKYND-NWDGAFQWSA-N	334.419	-1.206	0	40	EAAB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5411522	KJQANYPAJANIAC-LXDPMBDSSA-N	329.393	-1.493	0	40	EAAB	
CCCn1c(N)c(C(=O)CN2CCN(C(C)=O)CC2)c(=O)[nH]c1=O	14110225	QLZFCXVMBROPCP-UHFFFAOYSA-N	337.380	-1.124	0	40	EAAB	
Cn1nccc1C(=O)NCCC(=O)N1CCN(S(C)(=O)=O)CC1	96192354	DPIDKYZPNILLRU-UHFFFAOYSA-N	343.409	-1.356	0	40	EAAB	
NC(=O)C(NC(=O)c1nc(N2CCOCC2)ncc1Cl)C(N)=O	51348709	MFUHCTNYPAIYES-UHFFFAOYSA-N	342.743	-1.964	0	40	EAAB	
COCCN1C(=O)CO[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@H]21	96246297	GERGNUBZYZTCDN-GHMZBOCLSA-N	344.393	-1.333	0	40	EAAB	
CN(C)c1nccnc1[C@@H]1CN(C(=O)CNS(C)(=O)=O)CCO1	257327900	XDGASYUMRWDCAQ-JTQLQIEISA-N	343.409	-1.008	0	40	EAAB	
CSc1nc2c(ncn2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5812907	UJFIYPFEIVGXBG-FCKMSMMTSA-N	328.350	-1.537	0	40	EAAB	
CCOC(=O)C1CCN(C(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1	12391890	KGUHJIZWDGSCQZ-UHFFFAOYSA-N	338.320	-1.197	0	40	EAAB	
NC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	22229470	RJTUNWULOCKPKA-UHFFFAOYSA-N	327.362	-1.191	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)c2cncnc2)C[C@H]1O	257204873	AWQROACKPCSSRY-ZYHUDNBSSA-N	330.366	-2.036	0	40	EAAB	
CC(C)OC[C@@H](O)Cn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C	4949902	IZZWRUXRAAARTR-VIFPVBQESA-N	341.368	-1.387	0	40	EAAB	
C[C@H](OC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N1CCNC1=O	10026699	GNJWIFNYZLTCIU-ZETCQYMHSA-N	344.349	-1.230	0	40	EAAB	
O=C(NC[C@H]1OC[C@@H](NCc2ncc[nH]2)[C@@H]1O)N1CCOCC1	77265047	QXKDQSQQAWSONM-WZRBSPASSA-N	325.369	-1.331	0	40	EAAB	biogenic,in-vitro
CC/C=C/[C@H](O)[C@@H](CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)NC(C)=O	2060990661	TWUNQXTUKLIRDX-LYGZSUJJSA-N	349.380	-2.365	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	72283165	GUBGYTABKSRVRQ-GBUIDUGRSA-N	342.297	-5.397	0	40	EAAB	
O[C@H](COCCOC[C@H](O)CN1CCNCC1)CN1CCNCC1	1857524243	XNDIXKWZFHBWQI-IYBDPMFKSA-N	346.472	-2.448	0	40	EAAB	
O=C(NC[C@]1(O)COCCN(C(=O)c2ncc[nH]2)C1)c1cnccn1	257273430	NGNSHYDEJFQJFV-OAHLLOKOSA-N	346.347	-1.167	0	40	EAAB	
NC(=S)c1c(N)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	5011620	HPCAEYRDTFITHI-YWARTMNGSA-N	340.365	-2.159	0	40	EAAB	
OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	30729395	HIWPGCMGAMJNRG-LIZSDCNHSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CC(=O)N[C@H]1[C@H](N)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	44127278	DKGKXBJJPLBTOQ-DHGKCCLASA-N	346.336	-1.399	0	40	EAAB	in-vitro
O=C1O[C@H]([C@H](O)CO)C(O)=C1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	100052991	MLSJBGYKDYSOAE-WGCHHNRKSA-N	338.265	-4.149	0	40	EAAB	
COC(=O)C(=O)[C@@H]1CCCC[C@H](C2=N[C@@H]3NN=C(N)N3C2=O)C1=O	102987073	BTUDDSYILNPZQN-CZQYDQBASA-N	335.320	-1.496	0	40	EAAB	
Cc1ccc(C(=O)N[C@@H]2C=C(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]2O)cc1	3838753	BZEPZZAKXRROPB-UMVBOHGHSA-N	347.371	-1.253	0	40	EAAB	biogenic,in-vitro
CN1CCC(NC[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2N2CCOCC2)CC1	20464794	CIHAXUDUJPXXEF-FXUDXRNXSA-N	329.441	-1.508	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(CCN2Cc3nc(N)ncc3C2=O)CC1	72260046	IVCUMOMEHGHSSM-UHFFFAOYSA-N	340.409	-1.408	0	40	EAAB	
NC[C@@H]1CC[C@H](CC(N)=O)N1S(=O)(=O)CCN1C(=O)CCC1=O	257206481	BDQZKFZXXPENTL-ZJUUUORDSA-N	346.409	-1.868	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]1O	14951284	GRSZFWQUAKGDAV-FCIPNVEPSA-N	348.208	-2.152	0	40	EAAB	in-vivo
CC(=O)N[C@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	62725228	AVCNXSQPUQMVNJ-MRTXSQPYSA-N	340.332	-1.260	0	40	EAAB	
COCCn1c(N)c(C(=O)CN2CCO[C@@H](C)C2)c(=O)[nH]c1=O	44893028	HUPQSVGCRJIWIP-VIFPVBQESA-N	326.353	-1.331	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CN(C(=O)c2cccc(F)c2)C[C@H]1O	257285654	PIDLNCOUBFGFIW-YPMHNXCESA-N	332.353	-1.077	0	40	EAAB	
Cn1c(=O)c2ncn([C@@H]3CN(C4CCOCC4)C[C@H]3O)c2n(C)c1=O	1615189921	AQWGOABHMCKBNT-VXGBXAGGSA-N	349.391	-1.170	0	40	EAAB	
Cn1c(N)c(C(=O)COC(=O)c2ccc[nH]c2=O)c(=O)n(C)c1=O	3232738	NIFJVIRGXGHBNM-UHFFFAOYSA-N	334.288	-1.606	0	40	EAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	13514713	JYFOSWJYZIVJPO-BYNIDDHOSA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O	19331330	DDFSYXNAYCTMRJ-AKAIIVHQSA-N	328.409	-1.606	0	40	EAAB	
CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@H]1O	34226313	BSPZZSXFWWMDMA-SYKDKJQZSA-N	325.281	-2.116	0	40	EAAB	
C[C@]1(C(=O)N2CCC(C(N)=O)CC2)CN(S(C)(=O)=O)CCO1	257302245	SCCIIZFSXSJAGU-CYBMUJFWSA-N	333.410	-1.239	0	40	EAAB	
COC(=O)c1cn(N[C@@H]2CS(=O)(=O)C[C@H]2O)cc2c(O)nnc1-2	524735063	RUWUOORBLHTSIK-RKDXNWHRSA-N	342.333	-1.424	0	40	EAAB	
CNC(=O)N1CCN(S(=O)(=O)c2cc(C(N)=O)n(C)c2)CC1	40477464	BVQRLCNAQYTNNB-UHFFFAOYSA-N	329.382	-1.230	0	40	EAAB	
CCCn1c(N2CCN(CC(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	56952380	WWDIIDXLEBIWGY-UHFFFAOYSA-N	349.395	-1.559	0	40	EAAB	
CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	8655931	YUYHWVWEDABSBD-QYPVHALMSA-N	344.349	-2.186	0	40	EAAB	
Cn1c(=O)c2c(ncn2CC(=O)N[C@H]2CCCCNC2=O)n(C)c1=O	40513573	VOJOVQDNTZUOQQ-VIFPVBQESA-N	348.363	-1.781	0	40	EAAB	
O=C(O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1cc(O)c(O)c(O)c1	82032202	GDVRUDXLQBVIKP-GWPLPQDCSA-N	332.261	-2.240	0	40	EAAB	
O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1O	100079962	PUVHMWJJTITUGO-UOTPTPDRSA-N	340.114	-3.601	0	40	EAAB	
CN(C)CCC(=O)N1CCC(O)(CNC(=O)CCNC(N)=O)CC1	1074713350	RUMMVZIJVORVFB-UHFFFAOYSA-N	343.428	-1.534	0	40	EAAB	
OCC1=C[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	238730780	RJWJHRPNHPHBRN-RORVYQECSA-N	346.332	-2.802	0	40	EAAB	endogenous,in-man
OCC1=C[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	245240677	RJWJHRPNHPHBRN-CVWGRSNTSA-N	346.332	-2.802	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	62725225	AVCNXSQPUQMVNJ-ZSLBOAEBSA-N	340.332	-1.260	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	101411480	GUBGYTABKSRVRQ-JILIELIZSA-N	342.297	-5.397	0	40	EAAB	endogenous,in-man
O=c1c2ccccc2nnn1CCNS(=O)(=O)N1CCOCC1	238874687	NTGXIHYQALHJRO-UHFFFAOYSA-N	339.377	-1.042	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253615779	DLRVVLDZNNYCBX-DVWITZEPSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@](O)(CN2CCOCC2)C1	257302499	SDDQOGQULJLKSH-TZMCWYRMSA-N	332.422	-1.283	0	40	EAAB	
CS(=O)(=O)N1CC(C(=O)N2CC[C@](O)(CN3CCOCC3)C2)C1	257266946	MFGNWARNYBACCN-AWEZNQCLSA-N	347.437	-1.827	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)O)O[C@H](CO)[C@H](O)[C@H]1O	253475979	CPWDQTVVDKAHLL-HYFYGGESSA-N	341.316	-1.293	0	40	EAAB	
Cc1n[nH]cc1S(=O)(=O)N1CC(S(=O)(=O)N2CCNCC2)C1	585137124	JPCCSXZBIVJBDD-UHFFFAOYSA-N	349.438	-1.674	0	40	EAAB	
CC(=O)N[C@H]1[C@@H]([C@H](O)[C@@H](O)CO)OC(C(=O)O)=C[C@H]1NC(=N)N	169303428	ARAIBEBZBOPLMB-CPLHFVPXSA-N	332.313	-3.576	0	40	EAAB	
CN1CCC(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)CC1	257287704	PRDMDMJZZOAYFJ-TZMCWYRMSA-N	349.453	-1.798	0	40	EAAB	
CN1CCN(c2c(NC[C@H](O)CN3CCOCC3)c(=O)c2=O)CC1	101681497	RNPVNQGKAUDFST-LBPRGKRZSA-N	338.408	-1.861	0	40	EAAB	
COCC(=O)NC[C@]1(O)CN(Cc2cnc(N(C)C)nc2)C[C@H]1O	257336846	YQGOZZDTRMHQCJ-DOMZBBRYSA-N	339.396	-1.787	0	40	EAAB	
CN(CC(N)=O)C[C@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCO1	548679727	QOKKLSFNVBOTIW-STQMWFEESA-N	327.429	-1.092	0	40	EAAB	
N[C@@H](CO)c1noc([C@H](CC(=O)O)NC(=O)N[C@@H](CO)C(=O)O)n1	1569989237	QCBFMJFKMLXBIZ-ZLUOBGJFSA-N	347.284	-2.678	0	40	EAAB	
CCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	192119	AWYHIRFKAYAAEU-UHFFFAOYSA-N	337.336	-1.177	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)Cn2nc(C)ccc2=O)C1	257251395	JQPFBEUMOCZTMG-CYBMUJFWSA-N	349.391	-1.395	0	40	EAAB	
CCSC(SCC)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403666	ZSEWRIVLPSASIS-SYWHDRQISA-N	346.467	-2.024	0	40	EAAB	
CSc1nc2c(nnn2[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5760121	FKTPTJZIXFYSRM-KMPDEGCQSA-N	329.338	-2.142	0	40	EAAB	
O=P(O)(O)O[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(O)ncnc32)[C@@H]1O	13549616	XALREVCCJXUVAL-KQYNXXCUSA-N	348.208	-1.740	0	40	EAAB	in-vitro
CC(=O)N1CCC(N2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)CC1	1848353132	YICJFWXXRRHYCW-LBPRGKRZSA-N	346.453	-1.324	0	40	EAAB	
Cn1c(=O)[nH]c2ccc(S(=O)(=O)N[C@H]3CCOC3=O)cc2c1=O	55175476	SRGVLEJJHRWHKY-JTQLQIEISA-N	339.329	-1.179	0	40	EAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1	8655926	VZOSVGAXSLLDML-NUPWSADLSA-N	334.354	-2.714	0	40	EAAB	
O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1CCO)[C@H]1C(=O)N(CCO)C(=O)[C@@H]31	13784748	IYRBGBHQRCADLS-MFIUYIKDSA-N	334.328	-2.011	0	40	EAAB	
COCCO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(=O)[nH]c(N)nc21	90556174	DLLBJSLIKOKFHE-RUFUGSNLSA-N	341.324	-2.016	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)O)cc2)O[C@H](CO)[C@@H](O)[C@H]1O	242750755	ZZGOODZEYMETHT-GEJOOGBSSA-N	341.316	-1.293	0	40	EAAB	
Cn1cc(S(=O)(=O)N2CCN(CC(N)=O)CC2)cc1C(N)=O	71877720	KQULHMIPFASDEZ-UHFFFAOYSA-N	329.382	-2.084	0	40	EAAB	
Cc1c(CCC(=O)N2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)cnn1C	257204675	AVVFXPGBSPPNJR-VXGBXAGGSA-N	330.410	-1.218	0	40	EAAB	
O=C(O)CCCC(=O)N[C@@H]1C[C@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O	257267711	MIMKALSWZFIPRE-BCWBERDBSA-N	341.320	-1.645	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1	4715033	VCZJPYKFMQAPIN-PCEBWVJKSA-N	328.321	-2.607	0	40	EAAB	
COc1nc2c(nc(N)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5546008	XEVQFEHJYUJYFP-NUPWSADLSA-N	343.296	-3.317	0	40	EAAB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@@H]1CCS(=O)(=O)C1	12877288	RQVVPXLFJMTLIR-SECBINFHSA-N	329.378	-1.050	0	40	EAAB	
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1	77311638	DAYLJWODMCOQEW-PKIKSRDPSA-O	335.229	-2.199	0	40	EAAB	in-vitro
CS(=O)(=O)N1CC(C(=O)N2CC[C@@](O)(CN3CCCC3)C2)C1	257222015	DRNMOKLJHFMMEC-CQSZACIVSA-N	331.438	-1.063	0	40	EAAB	
CS(=O)(=O)N1CCN(CCNC(=O)c2ccc(=O)[nH]c2)CC1	44226845	ZZQVJGKEKFOPOR-UHFFFAOYSA-N	328.394	-1.318	0	40	EAAB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC2(CC1)NC(=O)NC2=O	54706085	CBSXACIHOASEOI-UHFFFAOYSA-N	349.347	-1.495	0	40	EAAB	
O=C(O)/C=C/C(=O)N[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)/C=C/C(=O)O	12176520	ICZJUCYXCXMUFC-VNEGEBPZSA-N	346.317	-2.334	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	18179993	HDTRYLNUVZCQOY-ATHKHPMCSA-N	342.297	-5.397	0	40	EAAB	biogenic,in-man
COCC(=O)NC[C@H]1OC[C@@H](NC2CCN(C(C)=O)CC2)[C@@H]1O	77264109	GDYOJKHZVVUIBE-NFAWXSAZSA-N	329.397	-1.522	0	40	EAAB	biogenic,in-vitro
Nc1ccn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)O[C@H]2O)c(=O)n1	5811821	RQYFOSYRHSPBRR-VXUIKNBNSA-N	339.197	-2.514	0	40	EAAB	
CCOC(=O)N1CCN(S(=O)(=O)c2cnc(O)[nH]c2=O)CC1	33327128	PRTSHGZOJXJPQQ-UHFFFAOYSA-N	332.338	-1.062	0	40	EAAB	
O=C1NC(=O)C(C(C2C(=O)NC(=O)NC2=O)[C@H](O)CO)C(=O)N1	3169903	IGGBMHYMOFXZAU-UWTATZPHSA-N	328.237	-4.080	0	40	EAAB	
CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCNC2=O)c1	5917948	INODLBMCHXZKBZ-UHFFFAOYSA-N	328.350	-1.350	0	40	EAAB	
CO[C@@]1(O)[C@@H](CO)O[C@@H](n2cnc3c(N)ncnc32)[C@@]1(O)OC	200052024	VEUFBAPMMDFOOF-IJJXPJNWSA-N	327.297	-2.032	0	40	EAAB	
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C	5760809	NFXVNBXONQDRNM-ODXREFDESA-N	331.350	-1.834	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@@H]1O	13382192	DIOIKYCIVSLRPT-QMIVOQANSA-N	325.317	-1.178	0	40	EAAB	
CCCNC(=O)CN1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1	22835191	HFWZWHXIMMHIRZ-UHFFFAOYSA-N	337.424	-1.272	0	40	EAAB	
NCCCC[C@H](N)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)O	4899777	LCMWVZLBCUVDAZ-IUCAKERBSA-N	332.357	-2.007	0	40	EAAB	
O=C(CN1CCN(S(=O)(=O)N2CCCC2)CC1)N1CCNC1=O	32777719	DLQJSWJBWSWSGM-UHFFFAOYSA-N	345.425	-1.504	0	40	EAAB	
Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(=O)[nH]1	75124420	WVYGQBKOGDUSAQ-UHFFFAOYSA-N	342.421	-1.010	0	40	EAAB	
CC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)C[C@H](C(N)=O)C1	2037657998	BMFGWTJVKPZJLI-SNVBAGLBSA-N	329.382	-1.626	0	40	EAAB	
COC(=O)[C@@H]1N[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)SC1(C)C	5639491	SGIHDTCYLFWNOK-JRKXVGBNSA-N	325.383	-2.595	0	40	EAAB	
NCCn1cc(C(=O)N2CC[C@@]3(Cc4c(N)nc(N)nc4O3)C2)nn1	257311204	UIJLAAFRXMMLLV-CQSZACIVSA-N	345.367	-1.589	0	40	EAAB	
O=c1nc(N2CCSCC2)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5496900	ZSOPROSVGHGXAS-ZDDJMSTPSA-N	329.378	-1.592	0	40	EAAB	
C[C@@H](OC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(N)=O	5919037	GZKAFTZIQZEYTP-MRVPVSSYSA-N	337.336	-1.369	0	40	EAAB	
CNC(=O)NC(=O)CN1CCN(CC(=O)NCCCOC)CC1	22935074	DEONFTZIEGDTNZ-UHFFFAOYSA-N	329.401	-1.788	0	40	EAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CF)[C@@H](O)[C@H]2O)cc1Br	5496716	ONUVAOQZEVZTLW-LENIQADQSA-N	325.090	-1.112	0	40	EAAB	
Cn1c(=O)c2nc([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[nH]c2n(C)c1=O	8614196	WPGZMGGAJDIXIH-GVYWOMJSSA-N	330.297	-3.931	0	40	EAAB	
COC(=O)CNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	41780217	KQSCSRDIQKVOQW-QMMMGPOBSA-N	331.350	-1.559	0	40	EAAB	
COc1cc(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O	49176735	VZSGMNVXQXYFPI-INMIOYRUSA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
CC[C@@]1(C)NC(=O)N(NC(=O)CN[C@@H]2CCc3ncnn3C2)C1=O	75603379	BFOUAZDLNJCHCE-YMTOWFKASA-N	335.368	-1.066	0	40	EAAB	
Cc1cc(O)nc([C@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)n1	257344589	ZXXUYPOFLSLDOK-SECBINFHSA-N	330.366	-1.060	0	40	EAAB	
N=C(NO)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(NO)c12	5121301	VDRNYDUPTSTUEE-FMRNTLLBSA-N	340.296	-1.852	0	40	EAAB	in-vitro
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	64219336	SERLAGPUMNYUCK-UDKQPYHCSA-N	344.313	-5.761	0	40	EAAB	
C[C@@H]1O[C@H](O[C@H]2[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	96327789	VSRVRBXGIRFARR-CGVLQTJQSA-N	326.298	-4.370	0	40	EAAB	
CC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	5706640	YYZJRQOAVRANIE-HXFLIBJXSA-N	344.368	-1.890	0	40	EAAB	
CC(C)(C)OC(=O)NCC(=O)OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	70665125	JCDVXIPESUHXEV-ZHVGPZTNSA-N	337.325	-2.146	0	40	EAAB	biogenic
O=C(Cn1cnnn1)N1CCN(c2ccc(-n3cncn3)nn2)CC1	96124287	PGCGQYKQTXHGGG-UHFFFAOYSA-N	341.339	-1.607	0	40	EAAB	
CN(C)S(=O)(=O)N1C[C@@H]2CN(S(C)(=O)=O)CCO[C@@H]2C1	96206819	QZKDLPIEVHAYHK-VHSXEESVSA-N	327.428	-1.615	0	40	EAAB	
CCCN1C[C@@H]2C[C@H](NS(C)(=O)=O)CN2C(=O)[C@@H]1CNC(C)=O	2332242108	GWDDKYFCBFMLHI-AVGNSLFASA-N	346.453	-1.265	0	40	EAAB	
C[C@]1(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1	5677124	OWUUFSYKDYROKF-IUCAKERBSA-N	331.437	-1.330	0	40	EAAB	
C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N1CCOCC1	76051142	SLMUTGDHAYBZHN-OLZOCXBDSA-N	336.392	-1.274	0	40	EAAB	
O=C(NCCCN1CCOCC1)C(=O)NCCCN1CCOCC1	33945178	OJZBTEBTFVIKIW-UHFFFAOYSA-N	342.440	-1.337	0	40	EAAB	
COCCNC(=O)CNc1c(N2CCN(C(C)=O)CC2)c(=O)c1=O	101702717	CTYQUMUKTHFJEA-UHFFFAOYSA-N	338.364	-1.874	0	40	EAAB	
O=C1CC[C@@H](C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)N1	208001656	KQSAVZKNNCBOAU-NSHDSACASA-N	342.363	-1.016	0	40	EAAB	
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@H](O)[C@@H]1O	12890051	VIZPZFFVVXGXQO-AIHAYLRMSA-N	326.087	-3.028	0	40	EAAB	biogenic
CC(=O)NCC(=O)N1CC[C@@](O)(CN2CCC(NC(C)=O)CC2)C1	257327964	XDNXNNNSYJJJSX-MRXNPFEDSA-N	340.424	-1.314	0	40	EAAB	
CN(CC(=O)Nc1ccc(-n2nnn(C)c2=O)cc1)S(C)(=O)=O	75163158	WPYHDUATBXPBBU-UHFFFAOYSA-N	340.365	-1.204	0	40	EAAB	
CC(=O)N1CCN(S(=O)(=O)c2cn(C)nc2C)C[C@H](C(N)=O)C1	257258128	KSMFRPJSRANVSA-LLVKDONJSA-N	343.409	-1.317	0	40	EAAB	
O=C(C1=NO[C@@H]2CN(C(=O)[C@@H]3[C@H]4COC[C@H]43)C[C@H]12)N1CCOCC1	1565551141	MWDRASGZMXDBEE-KIJLLGNVSA-N	335.360	-1.049	0	40	EAAB	
C[C@@H]1[C@@H](n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21	1580186	LCONSCFTRQSKPM-LDYMZIIASA-N	344.331	-1.310	0	40	EAAB	
C[C@H](O)[C@H](O)[C@@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1	2077967	YVUVMULMQUVMLL-ARENWVFISA-N	346.347	-1.070	0	40	EAAB	
Cn1c(=O)c2c(ncn2CC(=O)/N=c2\sccn2C)n(C)c1=O	23656831	QOLTYIDGWHFNSP-QINSGFPZSA-N	334.361	-1.039	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1OC2=O	105514848	YWJXCIXBAKGUKZ-AWTVOTCNSA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
CNC(=O)[C@H]1CN(C(C)=O)CCN(S(=O)(=O)N2CCOCC2)C1	257272673	NDJRVQKMGUGWSX-LBPRGKRZSA-N	348.425	-1.910	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)Cn2cccn2)CCN(S(C)(=O)=O)C1	257333237	YAUBBAWWVUBTGE-LLVKDONJSA-N	343.409	-1.651	0	40	EAAB	
NC(=O)C12CC3(C(N)=O)CC(C(N)=O)(CC(C(N)=O)(C1)C3=O)C2=O	4425627	IBMMNWZLAHPJEX-UHFFFAOYSA-N	336.304	-3.387	0	40	EAAB	
Cc1nccn1-c1cc(CNC(=O)NC(C(N)=O)C(N)=O)ccn1	45440827	FCMOPLPMDWREMH-UHFFFAOYSA-N	331.336	-1.286	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	253615139	HIWPGCMGAMJNRG-KRTMJKFWSA-N	342.297	-5.397	0	40	EAAB	in-vitro
NC(=O)[C@@H](N)CCC(=O)NC[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	585285767	RUFGJPFNGGVQCZ-SLEUVZQESA-N	334.376	-1.048	0	40	EAAB	
COC(=O)[C@H]1O[C@@H](Sc2ncnc3nc[nH]c23)[C@@H](O)[C@@H](O)[C@@H]1O	8651710	PJFRVIWMZDBMEC-GZWFRWMJSA-N	342.333	-1.574	0	40	EAAB	
O=C(O)CNC(=O)C[C@@H]1SC(NNC2=NC(=O)CS2)=NC1=O	13574368	MMDMOGHNZUGBGV-BYPYZUCNSA-N	345.362	-1.701	0	40	EAAB	
CN(C)CCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCN(C)CC1	20464983	VUPMZKWMEPHFME-LTIDMASMSA-N	344.500	-1.347	0	40	EAAB	biogenic,in-vitro
CCOC(=O)N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1	223824	BMWHJUGNDUNWFP-UHFFFAOYSA-N	346.365	-1.166	0	40	EAAB	
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	64219262	DLRVVLDZNNYCBX-ORZFQWOTSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C(O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1	4098722	QOPSZFXPZWQLOG-VHCZEJTMSA-N	342.300	-1.331	0	40	EAAB	in-vitro
CS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O	4824159	VVVQNXIPTOHGCZ-LEIICMHDSA-N	344.353	-2.423	0	40	EAAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@H]1C(=O)OC	106904057	PAMFBCKUFAPQLG-GMTAPVOTSA-N	346.405	-1.053	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@H]1O	242463740	DIOIKYCIVSLRPT-CAEXGNQWSA-N	325.317	-1.178	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1OP(=O)(O)O	2036187	QDFHPFSBQFLLSW-GAWUUDPSSA-N	347.224	-1.863	0	40	EAAB	biogenic
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	64219338	SERLAGPUMNYUCK-LUIKRPFKSA-N	344.313	-5.761	0	40	EAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)n1C	5812896	VJRRURAMNHFZBJ-DPWWFHJDSA-N	348.381	-2.704	0	40	EAAB	
CCOC[C@H](O)CN1CCN(C(=O)CN2CCCS2(=O)=O)CC1	69902431	IHERFWGWDWXHHH-CYBMUJFWSA-N	349.453	-1.437	0	40	EAAB	
CS(=O)(=O)CCC(=O)N1C[C@H]2ON=C(C(=O)NC3CC3)[C@H]2C1	1565546144	WEVQYCCPUBRRQF-VHSXEESVSA-N	329.378	-1.087	0	40	EAAB	
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)O	4899504	IQPWNQRRAJHOKV-KATARQTJSA-N	334.373	-3.130	0	40	EAAB	
NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(N)=O	71788362	DIBAKBGYJUCGDL-QWRGUYRKSA-N	339.400	-2.505	0	40	EAAB	
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O)C(C)C	255967950	CUEHNLMLFJFMER-SYEHKZFSSA-N	337.369	-1.823	0	40	EAAB	
Cn1c(=O)c2cc(C(=O)N3CC[C@@H](C(N)=O)C3)cnc2n(C)c1=O	53893744	YYYPSEITDRHCGH-MRVPVSSYSA-N	331.332	-1.420	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	242750757	ZZGOODZEYMETHT-NLRWUALESA-N	341.316	-1.293	0	40	EAAB	
Cc1cccc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)n1	257329526	XKHZYUDATSZKCL-YPMHNXCESA-N	329.378	-1.513	0	40	EAAB	
Cn1c(=O)ccn(CC(=O)N2CCN(c3ncccn3)CC2)c1=O	32658129	DDNIRDZVQPSACY-UHFFFAOYSA-N	330.348	-1.314	0	40	EAAB	
CCN1C[C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)[C@H](C)C1	76058484	LUBHGSHQJCXRNY-NXEZZACHSA-N	330.410	-1.298	0	40	EAAB	
CN(C)CCNC(=O)C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O	8643733	PTVYSJPMVWBKGK-UZGDPCLZSA-N	329.397	-1.930	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)c1nc(C(=O)NCCS(N)(=O)=O)c2ccccn12	58308441	BLTORTOOIBLMFU-UHFFFAOYSA-N	346.390	-1.244	0	40	EAAB	
CN(CCO)C[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	585291032	HXBGHIURNRVODY-KGLIPLIRSA-N	330.406	-1.293	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](COP(=O)(O)O)O1	4531686	PHNGFPPXDJJADG-LYFYHCNISA-N	332.209	-1.123	0	40	EAAB	biogenic
NNc1c(C(N)=O)c2c(N)ncnc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5011744	XCAQHWQRKUEFKS-GTWRCXMXSA-N	339.312	-2.991	0	40	EAAB	in-vitro
NC(=O)C(NC(=O)COc1ccc(N2CCCC2=O)cc1)C(N)=O	42789153	UMZZRERWSOSPBK-UHFFFAOYSA-N	334.332	-1.352	0	40	EAAB	
CCCCC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19320253	LIIQHDIBQVFXHJ-WMGJODFMSA-N	342.436	-1.216	0	40	EAAB	
CC(=O)N1[C@H]2CCN(C(=O)CNS(C)(=O)=O)C[C@@H]2C[C@]1(C)CO	257253719	JZZTZARDDYZXDD-SGMGOOAPSA-N	347.437	-1.244	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1OC2=O	3871710	YWJXCIXBAKGUKZ-WKPZMQOZSA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
O=C(O)CCc1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	33830718	FXEOLMWSBWXMSF-TVKJYDDYSA-N	328.317	-1.118	0	40	EAAB	biogenic,in-vitro
C[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)n(C)c(=O)c2c1)C(=O)O	40546442	AMYNGWIYXAKYNL-ZCFIWIBFSA-N	327.318	-1.022	0	40	EAAB	
CC(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	5706639	YYZJRQOAVRANIE-KZVJFYERSA-N	344.368	-1.890	0	40	EAAB	
COc1nc(O)c(C(C)=O)c(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)n1	17175072	WSXCNSWFRVAPEM-JJMVBFHUSA-N	345.308	-2.395	0	40	EAAB	
N[C@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@H](N)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O	64219079	QLTSDROPCWIKKY-SGCMWIJWSA-N	340.329	-5.464	0	40	EAAB	
COCC(=O)N[C@@H]1CN(CC2(O)CCN(C(C)=O)CC2)C[C@H]1O	257230359	GBYQJWOXTGLXHO-CHWSQXEVSA-N	329.397	-1.833	0	40	EAAB	
CCS(=O)(=O)[C@H]1C(=O)N(C)[C@@H](S(=O)(=O)CC)C(=O)N1C	1563036	AZPLFVZBLTWEMS-UWVGGRQHSA-N	326.396	-1.562	0	40	EAAB	
NC(=O)c1ncn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c1N	3869393	NOTGFIUVDGNKRI-FULWYAMNSA-N	338.213	-2.707	0	40	EAAB	in-vitro,metabolite
Cn1c(=O)c2c(nc(CN3CCOCC3)n2CC(N)=O)n(C)c1=O	12532033	HBZWCEJZXVFKLN-UHFFFAOYSA-N	336.352	-2.249	0	40	EAAB	
CN[C@@H]1[C@@H](O)[C@@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@H]2[C@H](NC)[C@@H]1O	13783409	UNFWWIHTNXNPBV-PYTMSMFESA-N	332.353	-2.926	0	40	EAAB	
O=c1nc(O)[nH]c2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	38581024	AAUQFLOPCIXUSK-UUOKFMHZSA-N	346.192	-1.401	0	40	EAAB	
CCc1nnc2n1C[C@@H](NC(=O)Cn1ccc(=O)n(C)c1=O)CC2	97198164	YSCKNYRRBIHUQZ-JTQLQIEISA-N	332.364	-1.168	0	40	EAAB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CO)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H]31	101237306	PCKOSQUZBKKIPS-FHGDJGRYSA-N	332.312	-1.850	0	40	EAAB	
O=C1CN(CC(=O)N2CCO[C@H](C(=O)NC3CCCC3)C2)CCN1	19750402	UYUURLSOJFFGCL-ZDUSSCGKSA-N	338.408	-1.296	0	40	EAAB	
CC(=O)N1CCN(S(=O)(=O)c2cn(C)nc2C)C[C@@H](C(N)=O)C1	257258129	KSMFRPJSRANVSA-NSHDSACASA-N	343.409	-1.317	0	40	EAAB	
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]1	12296728	LTFMZDNNPPEQNG-HSUXUTPPSA-N	347.224	-1.541	0	40	EAAB	biogenic
COCCNC(=O)CN1CCN(CC(=O)Nc2ccon2)CC1	24991707	ADJSRGVCZSMJSP-UHFFFAOYSA-N	325.369	-1.007	0	40	EAAB	
O=c1nc(NC[C@H]2CCCO2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5496484	APGXZLVKNYUQBH-BNPPUKTJSA-N	327.337	-1.554	0	40	EAAB	
C[C@H]1CN(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)C[C@H](C)O1	69696436	XVPOWUAYJABPCB-UWVGGRQHSA-N	342.443	-1.839	0	40	EAAB	
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1)c1ccco1	20464782	WZRIIRICQBLWIG-ZOBORPQBSA-N	326.349	-1.169	0	40	EAAB	biogenic,in-vitro
OC[C@@H]1O[C@H](NNC(=S)Nc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O	209347258	UBGNAFIGZJRNHM-KQSJRHEJSA-N	329.378	-1.723	0	40	EAAB	
CCn1c(N2CCN(CC(N)=O)CC2)nc2c1c(=O)[nH]c(=O)n2C	56952346	IMBXFSJSOLAULS-UHFFFAOYSA-N	335.368	-1.950	0	40	EAAB	
Cn1cc(CN2CC[C@@](O)(CNC(=O)c3cnccn3)[C@H](O)C2)cn1	257244720	IMMVVLFLQDEVMM-GDBMZVCRSA-N	346.391	-1.062	0	40	EAAB	
Cc1cnc(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)cn1	257340094	ZEMSLLMPIWFVKP-DGCLKSJQSA-N	344.393	-1.728	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@H]1O	4537303	VQHSOMBJVWLPSR-LQNMVRCRSA-N	344.313	-5.761	0	40	EAAB	in-man
O=C(O)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	11582480	QMTQDSJWWLCMNM-FAYBLGNRSA-N	339.308	-1.676	0	40	EAAB	
Cn1nnnc1SCC(=O)N1CCN(S(=O)(=O)C2CC2)CC1	42383446	UVYOQUAANGXVCW-UHFFFAOYSA-N	346.438	-1.061	0	40	EAAB	
C[C@@H]1C[C@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1	69950838	YVQOFOIWNLAQEM-OLZOCXBDSA-N	346.453	-1.200	0	40	EAAB	
CN(C)C(=O)[C@H]1CCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	27565976	RSFYLCRZQFKQNM-SECBINFHSA-N	337.380	-1.599	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1O	253615140	HIWPGCMGAMJNRG-ZGSQKHTCSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C1C[C@@H](C(=O)N[C@@H]2CCN(CCN3CCCC3=O)C2)NC(=O)N1	1015770336	OOAGMPPSNLCEEC-MNOVXSKESA-N	337.380	-1.603	0	40	EAAB	
Cn1cnc(C(=O)N2C[C@H]3ON=C(C(=O)N4CCOCC4)[C@H]3C2)n1	1565544679	NWXXDZYVXRSQGK-VHSXEESVSA-N	334.336	-1.499	0	40	EAAB	
C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1C(=O)c1cccnc1	4114228	YVUVMULMQUVMLL-NMLBEHRDSA-N	346.347	-1.070	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@](O)(CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	8952511	JCQLYHFGKNRPGE-GENPYGOASA-N	342.297	-5.396	0	40	EAAB	biogenic
O=CN(CCO[C@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	217395261	MLEMKARNKMEHQD-MNOVXSKESA-N	325.408	-1.164	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CNC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5201838	KXONZRPGKNOGCG-XRVFDCEDSA-N	345.345	-6.552	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	100890943	GUBGYTABKSRVRQ-SFNYSULHSA-N	342.297	-5.397	0	40	EAAB	
Cn1c(=O)c2c(ncn2CCN2C(=O)NC(C)(C)C2=O)n(C)c1=O	28009314	QAEVRUBHKOQIKY-UHFFFAOYSA-N	334.336	-1.236	0	40	EAAB	
NC(=O)C(NC(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1)C(N)=O	45440615	OPFXCGXEZBOMAC-ZJUUUORDSA-N	343.384	-2.638	0	40	EAAB	
CC(=O)N[C@H]1[C@@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@H]1NC(=N)N	3831612	ARAIBEBZBOPLMB-MTKMREKPSA-N	332.313	-3.576	0	40	EAAB	biogenic
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)c1nc2ccccc2[nH]1	5479721	VCZJPYKFMQAPIN-PTEOKISQSA-N	328.321	-2.607	0	40	EAAB	
Cc1cc(O)n2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2n1	102729937	OIDIVUKYZSKFPL-MRVPVSSYSA-N	325.350	-1.016	0	40	EAAB	
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc[n+]([O-])c(N)c12	4824751	UOVIVZARICJTSJ-FMRNTLLBSA-N	325.281	-3.038	0	40	EAAB	
CN(CCC(=O)N1CCOCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1	52719760	CTBLJMFGIHLHQW-LBPRGKRZSA-N	347.437	-1.530	0	40	EAAB	
Cc1cc(N(C)C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)n2ncnc2n1	247983909	KCMFHMJZADBZKN-FSZOTQKASA-N	327.341	-2.695	0	40	EAAB	
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O	6930964	ZUPSABSQBFCIOU-MDUGVICFSA-N	340.325	-3.716	0	40	EAAB	
OC[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	4537305	VQHSOMBJVWLPSR-YPONVQRYSA-N	344.313	-5.761	0	40	EAAB	in-man
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	4095786	QIGJYVCQYDKYDW-CSOAUFAESA-N	342.297	-5.397	0	40	EAAB	in-vitro
CCN(CC)S(=O)(=O)N1CCN([C@@H](C)C(=O)NC(N)=O)CC1	40033578	CTUNAZFSFCOSBE-JTQLQIEISA-N	335.430	-1.226	0	40	EAAB	
COCCN1CCN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CC1	69774236	KXQPGJLFJAJWEU-UHFFFAOYSA-N	348.469	-1.646	0	40	EAAB	
Cc1c(CN2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)cnn1C	257343781	ZUJXXNGCXGKLEQ-GFCCVEGCSA-N	329.426	-1.093	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1OC2=O	389665	YWJXCIXBAKGUKZ-SIOUWEMCSA-N	328.273	-1.201	0	40	EAAB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N(C)[C@H]1CCS(=O)(=O)C1	12877294	RQVVPXLFJMTLIR-VIFPVBQESA-N	329.378	-1.050	0	40	EAAB	
Cc1cc(O)n2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)nc2n1	102729939	OIDIVUKYZSKFPL-QMMMGPOBSA-N	325.350	-1.016	0	40	EAAB	
O=C1[C@@H]2C3C=CC([C@H]2C(=O)N1CCO)[C@H]1C(=O)N(CCO)C(=O)[C@H]31	4893444	IYRBGBHQRCADLS-IVWMKOAXSA-N	334.328	-2.011	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	64219258	PVXPPJIGRGXGCY-GVBZWKLSSA-N	342.297	-5.396	0	40	EAAB	
Cn1nccc1C(=O)N1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	257252814	JWFAHMHYVZMJGU-VIFPVBQESA-N	329.382	-1.761	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	3830984	GUBGYTABKSRVRQ-XDPUQEGKSA-N	342.297	-5.397	0	40	EAAB	in-man
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	44185565	GUBGYTABKSRVRQ-KROFJBKCSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=c1[nH]cnc2c1nc(Br)n2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17703870	XCAXTILLADBPII-ICKFSKTQSA-N	347.125	-1.506	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O	19323212	RNZZLJJRTGHUGN-CRHFXRNRSA-N	330.381	-3.025	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O)[C@@H]1O	105372833	OPWIOJXVAPJXSD-XJCFNFQFSA-N	345.256	-1.930	0	40	EAAB	
CNc1ncnc2c1c(C(N)=S)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4972460	ZOVALKSFKRAHGU-DUWABBFASA-N	339.377	-1.281	0	40	EAAB	
Cc1cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1CCCO	6665034	BJFWBNXNQCCKTB-UHFFFAOYSA-N	334.336	-1.674	0	40	EAAB	
COC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2S(C)(=O)=O)N1C	12530686	GUPQETKCZOYTOV-UMNHJUIQSA-N	333.410	-1.228	0	40	EAAB	biogenic,in-vitro
O=C1NC(=O)C(C(C2C(=O)NC(=O)NC2=O)[C@@H](O)CO)C(=O)N1	3169901	IGGBMHYMOFXZAU-REOHCLBHSA-N	328.237	-4.080	0	40	EAAB	
Cn1ncc2c(=O)[nH]c(CN3CCN(S(N)(=O)=O)CC3)nc21	65415521	XZHXAJZGHFPSBM-UHFFFAOYSA-N	327.370	-2.022	0	40	EAAB	
COc1cc(Cl)ccc1NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5329991	RHDMYECHWJGGSI-HJQYOEGKSA-N	335.740	-1.277	0	40	EAAB	
NC(=O)Cn1nnn(-c2ccc(NC(=O)c3cnccn3)cc2)c1=O	75163229	LBFBNXHQCTUFAZ-UHFFFAOYSA-N	340.303	-1.043	0	40	EAAB	
COC(=O)c1ccccc1O[C@@H]1O[C@H](C(=O)OC)[C@@H](O)[C@H](O)[C@H]1O	77303401	LDORTLMDVQBDPM-QKZHPOIUSA-N	342.300	-1.167	0	40	EAAB	in-vitro
CNC(=O)NC(=O)CCS(=O)(=O)Cc1cc(=O)n(C)c(=O)n1C	40498834	OCZQOZGHYOIYMG-UHFFFAOYSA-N	346.365	-2.156	0	40	EAAB	
COCCN1C(=O)/C(=C\NN2CC(=O)NC2=O)C(=O)NC1=S	9705377	KHECGDZGOHVZFL-XQRVVYSFSA-N	327.322	-2.184	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	257237681	HHPOGLNVQOOAKO-MRVPVSSYSA-N	328.416	-2.529	0	40	EAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H]3O[P@](=O)(O)O[C@@H]23)c(=O)[nH]1	1530371	UASRYODFRYWBRC-PXMDKTAGSA-N	345.208	-1.524	0	40	EAAB	
O=C(O)CN(CCOCCN(CC(=O)O)CC(=O)O)CC(=O)O	22052182	SLVOVFVZZFUEAS-UHFFFAOYSA-N	336.297	-2.055	0	40	EAAB	in-vitro
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1[C@H](CCC(N)=O)C(=O)O	36693375	XTDNMRIPLVVZFL-SSDOTTSWSA-N	348.319	-1.124	0	40	EAAB	
Cn1cc(S(=O)(=O)N(CC(N)=O)C2CCCC2)c(=O)n(C)c1=O	47281700	FDDJDBONDXBADD-UHFFFAOYSA-N	344.393	-1.497	0	40	EAAB	
CS(=O)(=O)N[C@@H]1CN(C(=O)c2ccc3[nH]nnc3c2)C[C@H]1O	257218526	DDLIEXJKWMQJAF-GHMZBOCLSA-N	325.350	-1.308	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N2CCCCC2)C[C@@H](C(N)=O)C1	257310907	UHCYLWAUQKBGDH-GFCCVEGCSA-N	346.453	-1.322	0	40	EAAB	
C[C@@H]1[C@H](n2[nH]c(=O)n(C)c2=O)c2ccccc2-n2c(=O)n(C)c(=O)n21	1580188	LCONSCFTRQSKPM-KCJUWKMLSA-N	344.331	-1.310	0	40	EAAB	
COC(=O)[C@H]1C2OC([C@@H]1C(=O)OC)[C@H](C(=O)OC)[C@H]2C(=O)OC	3843457	UHWABLZUHZCDLY-OUUZFZCISA-N	330.289	-1.076	0	40	EAAB	
O=C1C[C@H](N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C(=O)N1	514946962	OBQMSNPVQDDUPB-LBPRGKRZSA-N	346.391	-1.150	0	40	EAAB	
CCCNC(=O)N[C@H]1C[C@@](O)(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]1O	3838735	RSBJREYQZVMYGR-DHTPIRFJSA-N	346.384	-2.699	0	40	EAAB	biogenic,in-vitro
Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCNC2=O)n(C)c1=O	6636996	OHYKLLPJKYZZDY-UHFFFAOYSA-N	340.727	-1.361	0	40	EAAB	
Cc1ncc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)c(C)n1	257334656	YGWISZHEWLHBQG-YPMHNXCESA-N	344.393	-1.810	0	40	EAAB	
NC(=O)C(NC(=O)CCCn1cc(Br)cn1)C(N)=O	65474645	MWESFYZZYNTFDI-UHFFFAOYSA-N	332.158	-1.119	0	40	EAAB	
Nc1nc(N)c2ncn([C@H]3CN(C(=O)CCCC(=O)O)C[C@@H]3O)c2n1	257270340	MTUJKUALNDBFQY-YUMQZZPRSA-N	349.351	-1.010	0	40	EAAB	
CCOC(=N)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc(=O)c12	5883980	RZNWRPUNGJQKSM-SRXVSCBRSA-N	338.320	-1.302	0	40	EAAB	
Cn1c(=O)c2cc(C(=O)NCC(=O)N3CCCC3)cnc2n(C)c1=O	12821797	PFWLFJIMLJSAPT-UHFFFAOYSA-N	345.359	-1.016	0	40	EAAB	
Cc1noc(C)c1S(=O)(=O)N1CCN(CC(=O)NC(N)=O)CC1	14136045	WNXIHFWLWYOJOQ-UHFFFAOYSA-N	345.381	-1.207	0	40	EAAB	
S=C1NCN(CN2CCN(CN3CNC(=S)NC3)CC2)CN1	19313354	XSEFDDFEUFLOBQ-UHFFFAOYSA-N	344.514	-2.092	0	40	EAAB	
CCN1C[C@@]2(CC1=O)CN(C(=O)COC)CCN(S(C)(=O)=O)C2	96143476	YCYDGHYQXYXFPQ-AWEZNQCLSA-N	347.437	-1.025	0	40	EAAB	
COCCO[C@@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@H](CO)[C@H]1O	230402277	PUDXUJRJLRLJIU-PZWLIILKSA-N	325.325	-1.309	0	40	EAAB	
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O)C(C)C	255967951	CUEHNLMLFJFMER-XYJRDEOASA-N	337.369	-1.823	0	40	EAAB	
CCCNC(=O)N[C@H]1CO[C@@H](CN2CCN(C(C)=O)CC2)[C@@H]1O	514289603	WJGZGIOATMXUIA-MELADBBJSA-N	328.413	-1.012	0	40	EAAB	biogenic,in-vitro
O=C(N[C@H]1CCCNC1=O)[C@@H]1CN(C(=O)c2cncnc2)CCN1	67902445	LWQQCBGHLAHEPF-RYUDHWBXSA-N	332.364	-1.715	0	40	EAAB	biogenic,in-vitro
O=C(NC[C@@]1(O)COCCN(C(=O)c2ncc[nH]2)C1)c1cnccn1	257273429	NGNSHYDEJFQJFV-HNNXBMFYSA-N	346.347	-1.167	0	40	EAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@H](O)[C@H](O)[C@@H](O)CO)C2=O	19331334	DDFSYXNAYCTMRJ-BFPKIZGWSA-N	328.409	-1.606	0	40	EAAB	biogenic
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OP(=O)(O)O	4513863	QDFHPFSBQFLLSW-HUEBKHCJSA-N	347.224	-1.863	0	40	EAAB	
O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	8306490	XCAXTILLADBPII-FULWYAMNSA-N	347.125	-1.506	0	40	EAAB	
N[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2N)[C@H](CO)O[C@H]1O	43758961	QLTSDROPCWIKKY-PKBNKAAZSA-N	340.329	-5.464	0	40	EAAB	
O=C(Cn1c(-c2ncccn2)noc1=O)N[C@@H]1CCS(=O)(=O)C1	58342989	NYDCFDVSSANPNX-MRVPVSSYSA-N	339.333	-1.403	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)CO[C@@]2(O)CO)[C@H](O)[C@H](O)[C@@H]1O	4721320	SEWFWJUQVJHATO-OFGVQTFVSA-N	342.297	-5.396	0	40	EAAB	
CCS(=O)(=O)C([C@@H](O)[C@H](O)[C@H](O)[C@@H](C)O)S(=O)(=O)CC	5437759	GAYPCIYXXTVAMZ-BGZDPUMWSA-N	334.412	-2.355	0	40	EAAB	
OC[C@@H]1O[C@@](CO)(NNC(=S)Nc2ccccc2)[C@@H](O)[C@@H]1O	5338404	OFZZPKSOLKXBRK-SRRSOLGSSA-N	329.378	-1.721	0	40	EAAB	
CCN(C(=O)COC(=O)C1=NNC(=O)CC1)[C@@H]1CCS(=O)(=O)C1	6051759	JIHYPRXEZOHYKR-SECBINFHSA-N	345.377	-1.169	0	40	EAAB	
O=C(O)CN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccccc1	575423010	NIYLKBWPJFTSQK-GHMZBOCLSA-N	349.386	-1.080	0	40	EAAB	
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncn3ccnc3c12	4771511	YHUUEZKVMQVPHH-GQYFUAMRSA-N	333.304	-1.606	0	40	EAAB	
Nc1ncnc2c1[nH]c(=O)n2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	38580996	WCMOKPQGYXJAFO-UUOKFMHZSA-N	345.208	-1.524	0	40	EAAB	
CC(=O)Nc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	76935860	IPROLSVTVHAQLE-VXUPGSCNSA-N	327.289	-1.084	0	40	EAAB	in-vitro
CN(C)S(=O)(=O)N1CCC(C(=O)N2CCN(C=O)CC2)CC1	10284733	QNHXVNDREOZNIA-UHFFFAOYSA-N	332.426	-1.195	0	40	EAAB	
NC(=S)c1c(N)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	1730741	HPCAEYRDTFITHI-MQQQIBFLSA-N	340.365	-2.159	0	40	EAAB	
CCN(CC)S(=O)(=O)N1CCN([C@H](C)C(=O)NC(N)=O)CC1	40033579	CTUNAZFSFCOSBE-SNVBAGLBSA-N	335.430	-1.226	0	40	EAAB	
CN(C)c1ccc(C(=O)N2CC(O)(CNC(=O)c3cnn[nH]3)C2)nc1	1043817104	VMNMAZNVXXYEAJ-UHFFFAOYSA-N	345.363	-1.117	0	40	EAAB	
Cn1c(=O)c2[nH]c([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)nc2n(C)c1=O	8614195	WPGZMGGAJDIXIH-CCXZUQQUSA-N	330.297	-3.931	0	40	EAAB	
O=C(O)CNC(=O)CNC(=O)Cn1nc2c(cc1=O)CSCC2	71282727	KOLXBURKHODZLH-UHFFFAOYSA-N	340.361	-1.650	0	40	EAAB	
COc1cc(C)nc(N2CCN(C(=O)CNS(C)(=O)=O)CC2)n1	69819477	LYIGNVDWSRXQQT-UHFFFAOYSA-N	343.409	-1.009	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)c2ccnn2C)CCN(S(C)(=O)=O)C1	257218230	DCIOHXQQIXZPQP-JTQLQIEISA-N	343.409	-1.500	0	40	EAAB	
COCCC(=O)N1CC[C@@](O)(CNC(=O)[C@H]2CCN(C)C2=O)C1	1040614199	VKASHUJJRLXKHL-IAQYHMDHSA-N	327.381	-1.419	0	40	EAAB	
O=c1cnn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4705963	LRVZOSYMNMNQFR-CDGOZMSNSA-N	325.170	-3.340	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@H]1O	242750756	ZZGOODZEYMETHT-HYFYGGESSA-N	341.316	-1.293	0	40	EAAB	
CCOCC(=O)N1CC2(C1)CN(C)[C@H](C(=O)NCCOC)CO2	575403946	JDGVUCYZHLWKLH-LBPRGKRZSA-N	329.397	-1.303	0	40	EAAB	
CCSC(SCC)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403667	ZSEWRIVLPSASIS-FKUYFSDWSA-N	346.467	-2.024	0	40	EAAB	
Cn1c(=O)c2ccc(C(=O)NCCc3n[nH]c(=O)[nH]3)nc2n(C)c1=O	72306739	CUEXWUFFANZQDJ-UHFFFAOYSA-N	345.319	-1.984	0	40	EAAB	
OCC1=C[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	253617505	RJWJHRPNHPHBRN-AANXOZMMSA-N	346.332	-2.802	0	40	EAAB	endogenous,in-man
COc1ncc(CN2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)cn1	257226939	FMVSRLUHQYFEOQ-LLVKDONJSA-N	343.409	-1.336	0	40	EAAB	
NCCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643551575	VIXRXQVFCMINBT-QHSBEEBCSA-N	334.413	-1.802	0	40	EAAB	
CN1C(=O)C(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)C1=O	7289173	GNIOFJPNRSTAIE-UHFFFAOYSA-N	332.320	-1.454	0	40	EAAB	
O=C(O)CCC(=O)N[C@@H]1C[C@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O	257255146	KGIFZIUWYVCOCS-QTXBENEDSA-N	327.293	-2.035	0	40	EAAB	
CCn1cc(C(=O)N2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)cn1	257315749	VCPQNQJRKWWBKI-LLVKDONJSA-N	343.409	-1.278	0	40	EAAB	
CN(CCC(=O)N1CCOCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1	52719754	CTBLJMFGIHLHQW-GFCCVEGCSA-N	347.437	-1.530	0	40	EAAB	
O=c1[nH]c2c(c(=O)[nH]1)N=C(CO)CN2C[C@H](O)[C@H](O)[C@H](O)CO	96031399	UJMLQKSENLLYBL-OOZYFLPDSA-N	330.297	-3.977	0	40	EAAB	in-vitro
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	1532515	UDMBCSSLTHHNCD-DEGSGYPDSA-N	347.224	-1.863	0	40	EAAB	in-vitro
NC(=S)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2[nH]cnc(=O)c12	8628068	BVSMGATZUKRHIJ-HIFLKKFUSA-N	326.334	-2.030	0	40	EAAB	
CCc1noc(C)c1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257228323	FTKADTKLMPJYFG-MFKMUULPSA-N	347.393	-1.358	0	40	EAAB	
CC(=O)N1CCC(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	14806121	ZMICGEXMDQBDLH-UHFFFAOYSA-N	344.393	-1.627	0	40	EAAB	
COC(=O)[C@H]1O[C@](Br)(OC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O	113273904	WGROKQHLOJYGLM-GDOKVURESA-N	329.099	-1.747	0	40	EAAB	
CCSC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	4544084	HMFDVPSBWOHOAP-SFYZADRCSA-N	335.382	-1.383	0	40	EAAB	
OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H]([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@H]12	5051735	CCPQRXZQVYHQNX-FULVLERLSA-N	330.333	-2.733	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)O)O[C@H](CO)[C@@H](O)[C@H]1O	253475978	CPWDQTVVDKAHLL-GEJOOGBSSA-N	341.316	-1.293	0	40	EAAB	
COc1cc(OC)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1	87493005	YBNSHGZGFVJIGM-VVSAWPALSA-N	346.332	-1.109	0	40	EAAB	
OC[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	197960184	VQHSOMBJVWLPSR-OFRVBGLWSA-N	344.313	-5.761	0	40	EAAB	endogenous,in-man
CCN1CCN(CC(=O)N2CCN(C(C)=O)C[C@@H](C(N)=O)C2)CC1	257288624	PUZRXGJPMNGTPV-CQSZACIVSA-N	339.440	-1.584	0	40	EAAB	
CC(C)(C(=O)O)C(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	574087198	NWZYKYSHMFAJFV-UHFFFAOYSA-N	349.409	-1.182	0	40	EAAB	
O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1	13517211	OEUXFECIJDETRF-XVFCMESISA-N	340.250	-1.366	0	40	EAAB	in-vitro
O=C(CO)[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	4353177	RULSWEULPANCDV-KREGIEJPSA-N	342.297	-5.553	0	40	EAAB	
CCN1CCN(CC(=O)N2CCNC(=O)[C@H]2CC(=O)OC)CC1	20800271	VPKNTLALAYLTSV-GFCCVEGCSA-N	326.397	-1.486	0	40	EAAB	
CS(=O)(=O)NCc1nnc2n1CCN(C(=O)c1cnccn1)C2	96058926	RCUMGUUSFVZFDS-UHFFFAOYSA-N	337.365	-1.227	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	71789702	SERLAGPUMNYUCK-MYUHCWQWSA-N	344.313	-5.761	0	40	EAAB	in-vitro
CSCC[C@H](NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)O	4530272	IJIGIXPOPAELGH-CBHQDSPSSA-N	327.355	-3.255	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C=O)cc2)O[C@H](CO)[C@@H](O)[C@H]1O	106382968	MWTICEOAAHFYLT-QKGCVVFFSA-N	325.317	-1.178	0	40	EAAB	
CNC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@H]2CO)cn1C	585115174	PJXLNVNPUFLOBS-JTQLQIEISA-N	330.410	-1.318	0	40	EAAB	
Cn1ccc(CC(=O)N2C[C@@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)n1	1565547765	NJEXBZQLFLUEOY-NEPJUHHUSA-N	328.394	-1.166	0	40	EAAB	
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)[C@H]2CCCN2)[C@@H](O)[C@H](O)C1)C(N)=O	3839690	CKDDZSYYJAHJEE-YNVCDSSISA-N	340.380	-2.735	0	40	EAAB	biogenic,in-vitro
CSc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5546019	GDRCBFJQUZIOSW-BDXYJKHTSA-N	329.338	-1.965	0	40	EAAB	
Cn1c(=O)c2cc(C(=O)NCC(=O)NC3CC3)cnc2n(C)c1=O	12758019	HSDMZAUNXMIWCV-UHFFFAOYSA-N	331.332	-1.359	0	40	EAAB	
O=C(O)CNC(=O)C[C@@H]1SC(NNC2=NC(=O)SC2)=NC1=O	13523105	ZBVNZZFYPCFZNZ-BYPYZUCNSA-N	345.362	-1.065	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19322870	RNZZLJJRTGHUGN-VQNBZPTLSA-N	330.381	-3.025	0	40	EAAB	
CS(=O)(=O)CC(=O)N1C[C@H]2OCCN(S(C)(=O)=O)C[C@H]2C1	96110913	ASLFCXKFCCUQMW-NXEZZACHSA-N	340.423	-1.850	0	40	EAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(CC(C)C)C2)C1=O	225387358	LSZUJRVRTASAPU-NEPJUHHUSA-N	339.392	-1.326	0	40	EAAB	biogenic,in-vitro
CC(=O)[C@H](O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@]2(O)C(C)(C)[C@@]12O	100431565	VXSNHMOAIXMREN-XNCUEINKSA-N	349.347	-1.242	0	40	EAAB	
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCCN(CC(N)=O)CC1	71829356	FDSWOLUHSOWRIM-UHFFFAOYSA-N	337.380	-1.676	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)C2CCOCC2)CCN(S(C)(=O)=O)C1	257337904	YUYRXYFBXSRVQK-GFCCVEGCSA-N	347.437	-1.121	0	40	EAAB	
CC(=O)NCCCNC(=O)c1cnc2c(c1)c(=O)n(C)c(=O)n2C	31243993	VBVHRZFAAQYUKT-UHFFFAOYSA-N	333.348	-1.112	0	40	EAAB	
OC[C@@H]1C[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	245224237	SXPWHBXTTWFWMH-ZHHZIJJRSA-N	348.348	-2.722	0	40	EAAB	
CCN(CC)C(=O)CN(C)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	15331108	NWUDEQXPGQYMGK-UHFFFAOYSA-N	346.409	-1.427	0	40	EAAB	
O=C(O)c1ccc(O)c(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1	77291868	CXNFDJSOAJNKSU-CDHFTJPESA-N	330.245	-1.639	0	40	EAAB	in-vitro
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](O)[C@H]1O	204538551	OPWIOJXVAPJXSD-KQYNXXCUSA-N	345.256	-1.930	0	40	EAAB	
COc1ccccc1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257221965	DRHUXHVRNZUTHE-OCCSQVGLSA-N	344.389	-1.208	0	40	EAAB	
CC(C)(C)CC(=O)N[C@@H]1C=C(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]1O	3838748	SHCHAOXCIYPJFZ-GIPNMCIBSA-N	327.381	-1.439	0	40	EAAB	biogenic,in-vitro
O=c1[nH]c(=O)n([C@H]2O[C@@H](CF)[C@@H](O)[C@@H]2O)cc1N1CCOCC1	5496722	SLCFSGJZGPHBGV-WYFGTUCQSA-N	331.300	-2.038	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	49113269	VEABMYFEYLXTSD-UUOKFMHZSA-N	329.338	-1.965	0	40	EAAB	
O=C(CO)[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	669679148	PFCRQPBOOFTZGQ-PXEZKRLASA-N	342.297	-5.553	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)(O)O)[C@@H]1O	1529188	LNQVTSROQXJCDD-DEGSGYPDSA-N	347.224	-1.863	0	40	EAAB	
NC(=O)C(NC(=O)NC[C@@H]([C@H]1CCOC1)N1CCOCC1)C(N)=O	45440616	OPFXCGXEZBOMAC-UWVGGRQHSA-N	343.384	-2.638	0	40	EAAB	
CN[C@@H]1[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@H](NC)[C@@H]1O	71789715	UNFWWIHTNXNPBV-GFKZZPJFSA-N	332.353	-2.926	0	40	EAAB	in-vitro
Cn1cc(CN2CC[C@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cn1	306124199	BJAIZCZLTNIOIG-HNNXBMFYSA-N	332.364	-1.150	0	40	EAAB	
CNCc1cn(C[C@H]2O[C@@H](CC(=O)NCCOC)[C@H](O)[C@@H]2O)nn1	8624436	JZJFOUJDCRBNLN-UZGDPCLZSA-N	343.384	-2.361	0	40	EAAB	biogenic,in-vitro
CNC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C(=O)NC	17245961	FGYOREMPAKONCG-NLIVVUOBSA-N	344.324	-3.425	0	40	EAAB	
N[C@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@H](N)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	64219076	QLTSDROPCWIKKY-DHRRBEGDSA-N	340.329	-5.464	0	40	EAAB	
O=C(O)CCn1cc(S(=O)(=O)N2CCOCC2)c(=O)[nH]c1=O	225389883	XMZHCSBTNSGBCA-UHFFFAOYSA-N	333.322	-1.968	0	40	EAAB	
O=C(COP(=O)(O)O)[C@@H](O)/C(O)=C(/O)COP(=O)(O)O	1560408775	IMKSBFVKSAUSPL-WEWOIACBSA-N	338.098	-1.537	0	40	EAAB	
CC[C@@]1(C)NC(=O)N(NC(=O)CN[C@H]2CCc3ncnn3C2)C1=O	75603385	BFOUAZDLNJCHCE-LKFCYVNXSA-N	335.368	-1.066	0	40	EAAB	
Cn1c(=O)c2c(n(C)c1=O)=NN=c1c(=O)n(C)c(=O)n(C)c1=NN=2	18158423	NSLGDCKDBIZIPI-UHFFFAOYSA-N	332.280	-5.496	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	53684310	DLRVVLDZNNYCBX-CAPXFGMSSA-N	342.297	-5.397	0	40	EAAB	in-vivo
OCC1=C[C@@H](O)[C@@H]2C=CO[C@@H]([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@@H]12	5051732	CCPQRXZQVYHQNX-FXMCMAEXSA-N	330.333	-2.733	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	13536670	GUBGYTABKSRVRQ-TYAPZPMWSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CCCn1c(N)c(C(=O)CN(C)CC(=O)OC)c(=O)n(C)c1=O	35338789	FEHVPPMUTDERIB-UHFFFAOYSA-N	326.353	-1.173	0	40	EAAB	
COCCn1nc(C(=O)NCC2(C(N)=O)CCOCC2)ccc1=O	47931140	WJAXWCCAKOIIHR-UHFFFAOYSA-N	338.364	-1.098	0	40	EAAB	
CCN1C[C@H](C)[C@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	76058482	LUBHGSHQJCXRNY-VHSXEESVSA-N	330.410	-1.298	0	40	EAAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	95869893	HLLZGYFHHYGOLN-DGFYVNAQSA-N	326.298	-4.370	0	40	EAAB	
NCCCC[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CN)C(=O)O	97730338	MVORZMQFXBLMHM-GHMZBOCLSA-N	340.384	-1.906	0	40	EAAB	in-man
CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccccc1	4337021	JDYYFLJPBQRAOA-NSHDSACASA-N	327.362	-1.104	0	40	EAAB	
NS(=O)(=O)N1CCN(c2ncnc3c2cnn3CCO)CC1	97200361	GDSZLVKDIXQXNP-UHFFFAOYSA-N	327.370	-1.856	0	40	EAAB	
O=C(O)c1ccccc1C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	4803789	BFMROEPNVMUGNL-JVWRJRKNSA-N	327.289	-2.086	0	40	EAAB	
O=C(C(Sc1ncn[nH]1)C(=O)N1CCOCC1)N1CCOCC1	6244395	RNISXPDGMLJFAS-UHFFFAOYSA-N	341.393	-1.017	0	40	EAAB	
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)O)C(C)C	2508024	CUEHNLMLFJFMER-BQUFFADESA-N	337.369	-1.823	0	40	EAAB	
Cn1cnc(S(=O)(=O)N2CC[C@](O)(CN3CCOCC3)C2)c1	257248252	JCVDFXJJEZXDBY-ZDUSSCGKSA-N	330.410	-1.122	0	40	EAAB	
COC(=O)C1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1	4337560	FNIPXNBTJZHYSX-UHFFFAOYSA-N	345.377	-1.342	0	40	EAAB	
Cc1cc(N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)n2ncnc2n1	247983912	KCMFHMJZADBZKN-QCMRWSPLSA-N	327.341	-2.695	0	40	EAAB	
O=C(O)CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	12656099	QMTQDSJWWLCMNM-ZRFIDHNTSA-N	339.308	-1.676	0	40	EAAB	
CNC(=O)NC(=O)[C@@H](C)N1CCN(S(=O)(=O)N2CCCC2)CC1	32777704	DDEZWDANMJJMDR-LLVKDONJSA-N	347.441	-1.211	0	40	EAAB	
CC(=O)N[C@H]1[C@H](N)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	44154755	DKGKXBJJPLBTOQ-RKQHYHRCSA-N	346.336	-1.399	0	40	EAAB	in-vitro
CC(C)(C)CC(=O)N[C@H]1C[C@@](O)(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]1O	3838742	MHFPAGCXYHTSRT-NQJNJHLISA-N	345.396	-2.244	0	40	EAAB	biogenic,in-vitro
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)NCC(=O)O)[C@@H](O)[C@H]1O	5010514	MJEKUTDBGOEGON-FCGKXJCRSA-N	338.280	-2.772	0	40	EAAB	
Cc1cn2c3c(=O)[nH]c(=O)n(C)c3nc2n1[C@@H](CCC(N)=O)C(=O)O	36693373	XTDNMRIPLVVZFL-ZETCQYMHSA-N	348.319	-1.124	0	40	EAAB	
COCCC(=O)N[C@@H]1CO[C@H](Cn2ccc(O)nc2=O)[C@@H](O)[C@H]1O	1615119527	ITUKPYBBAXIMQU-MNUQUWEESA-N	343.336	-2.409	0	40	EAAB	
O=S(=O)(c1ccc2nnn(OCCO)c2c1)N1CCOCC1	95395402	LNMLTJXBQRAQDH-UHFFFAOYSA-N	328.350	-1.127	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@](O)(CO)OC[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	95864989	NBGXQZRRLOGAJF-WJONTELPSA-N	342.297	-5.396	0	40	EAAB	
Cc1nnc2n1C[C@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2	97198861	JQLOMTWPWHNXOE-LLVKDONJSA-N	327.410	-1.252	0	40	EAAB	
OC[C@]1(O[C@@H]2O[C@@H](CF)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](CF)[C@@H](O)[C@H]1O	5554039	QFAIWPWCNFEWFB-BOWHPHLESA-N	346.279	-3.441	0	40	EAAB	
OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	13544017	GUBGYTABKSRVRQ-AOXVZKODSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CN(C)CCCn1c(=O)c2c(ncn2C[C@@H](O)CO)n(C)c1=O	485559	NQDXIYUCKLYZER-SNVBAGLBSA-N	325.369	-1.798	0	40	EAAB	biogenic
OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O)CO[C@@]2(O)CO)[C@H](O)[C@H](O)[C@@H]1O	4721317	SEWFWJUQVJHATO-MBJSLOGDSA-N	342.297	-5.396	0	40	EAAB	
COc1nc(O)c(Cl)c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)n1	17175459	YTUQCKKNKXPLCM-IRPHGTLLSA-N	337.716	-1.944	0	40	EAAB	
O=C1CN(NC(=O)C2CCN(c3ccc4nncn4n3)CC2)C(=O)N1	29023786	YKONQTQPVWEMHT-UHFFFAOYSA-N	344.335	-1.076	0	40	EAAB	
COc1cc(/C=C/CO)ccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	38822226	SFLMUHDGSQZDOW-IBKWKRARSA-N	342.344	-1.121	0	40	EAAB	biogenic,in-vitro
NC(=O)C(NC(=O)c1ccc(=O)n(Cc2ccccc2)n1)C(N)=O	44389150	HGFFICAGMHPEQH-UHFFFAOYSA-N	329.316	-1.639	0	40	EAAB	
CN(C)S(=O)(=O)N1CCC[C@@H](C(=O)N2CCN(C=O)CC2)C1	44880067	IHQAZUBABXTQFO-GFCCVEGCSA-N	332.426	-1.195	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	4280915	VJUPMOPLUQHMLE-BDXYJKHTSA-N	346.141	-1.218	0	40	EAAB	
CC(=O)NCC(=O)N1CCCn2c(CN3CCOCC3)nnc2C1	96259699	WSBYRKOFYNIPNZ-UHFFFAOYSA-N	336.396	-1.021	0	40	EAAB	
NC(=O)c1ncn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N	3869391	NOTGFIUVDGNKRI-HAVMAKPUSA-N	338.213	-2.707	0	40	EAAB	in-vitro,metabolite
CS(=O)(=O)NC[C@]1(O)CN(C(=O)CC2CCOCC2)C[C@H]1O	257230162	GBCJUYXFZPWHFT-YPMHNXCESA-N	336.410	-1.714	0	40	EAAB	
COc1cc(Cl)ccc1NC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5330003	RHDMYECHWJGGSI-KXGXSXBTSA-N	335.740	-1.277	0	40	EAAB	
Cn1nnc([C@@H](O)CN2CCN(C[C@@H](O)c3nnn(C)n3)CC2)n1	23255122	HCYDERIELJCZNX-AOOOYVTPSA-N	338.376	-2.882	0	40	EAAB	
COc1ccc([C@@H](O)[C@@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	35465322	JYWSARFDLXXOHT-ZEVSIGAMSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
NC(=O)C(NC(=O)c1nc(N2CCCC2)ncc1Cl)C(N)=O	51348734	STCYMHZLZXUZEG-UHFFFAOYSA-N	326.744	-1.201	0	40	EAAB	
C[C@]1(O)CC[C@H]2C=CO[C@@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	2060990645	OUJVIWOUXFHELC-GLRDYADHSA-N	348.348	-2.230	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	3894278	XHCADAYNFIFUHF-INMIOYRUSA-N	340.284	-1.323	0	40	EAAB	biogenic,in-man
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	12358840	GUBGYTABKSRVRQ-AMQKVZBMSA-N	342.297	-5.397	0	40	EAAB	endogenous,in-man
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@@H]1O	15265533	BSPZZSXFWWMDMA-YRCUVVFSSA-N	325.281	-2.116	0	40	EAAB	biogenic
O=C(CN1CCO[C@@H](Cn2cncn2)C1)N[C@@H]1CCCCNC1=O	72253382	BHHXHUFPNUZXRU-CHWSQXEVSA-N	336.396	-1.236	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253615781	DLRVVLDZNNYCBX-HBDHPDDASA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cn1nc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)ccc1=O	71927906	FFDCIXCLFOUTQF-LLVKDONJSA-N	340.405	-1.275	0	40	EAAB	
COc1nn(C)cc1C(=O)NCCNS(=O)(=O)c1cn(C)cn1	206633622	DFMPVHWSMSZOOH-UHFFFAOYSA-N	342.381	-1.130	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N2CCCC2)C[C@@H](C(N)=O)C1	257334575	YGMSCDIJNYKBSG-LLVKDONJSA-N	332.426	-1.713	0	40	EAAB	
OCc1cn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)nn1	54545	FQCZNJCIFALHHT-UHFFFAOYSA-N	348.367	-1.382	0	40	EAAB	
CC(C)[C@@H](NC(=O)[C@@H](C)N)C(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	5733365	AWBPCEJUIMAFQR-PKPMGFBSSA-N	349.384	-3.610	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	38599734	GUBGYTABKSRVRQ-WHGJNNMOSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5411526	KJQANYPAJANIAC-RRXXLOEISA-N	329.393	-1.493	0	40	EAAB	
C[C@@H](CN1CCOCC1)NC(=O)N1CCN(S(C)(=O)=O)CC1	46481169	CTWGEHDSGCCLOJ-LBPRGKRZSA-N	334.442	-1.006	0	40	EAAB	
CC(=O)NC1CCN(C[C@@]2(O)CCN(S(=O)(=O)N(C)C)C2)CC1	257275493	NPPZPSXJLQZTAA-AWEZNQCLSA-N	348.469	-1.170	0	40	EAAB	
Cn1c(=O)c2ncn(C[C@H]3OC[C@@H](N)[C@H](O)[C@@H]3O)c2n(C)c1=O	2037977891	VJPIIKIHDLHBJB-GTDKDYCYSA-N	325.325	-3.118	0	40	EAAB	
OCC1=C[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	4268352	RJWJHRPNHPHBRN-GFZNZWEUSA-N	346.332	-2.802	0	40	EAAB	biogenic,in-vitro
Cc1noc(C)c1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257212165	CCEYMQGVBNWMJI-SKDRFNHKSA-N	333.366	-1.612	0	40	EAAB	
NCCCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586551	PTDXLMKMLDHBHY-SJXGUFTOSA-N	348.440	-1.412	0	40	EAAB	
NS(=O)(=O)c1ccc(CCNC(=O)CN2CCNC(=O)C2)cc1	58160563	DSYAJLSMFRFVLE-UHFFFAOYSA-N	340.405	-1.576	0	40	EAAB	
CN(C)S(=O)(=O)N1CC[C@@](C)(O)[C@H](n2ccc(O)nc2=O)C1	257322582	WGOFAYKLJVPCKK-BXKDBHETSA-N	332.382	-1.247	0	40	EAAB	
COCCN1C(=O)N[C@@H]2CN(CC(=O)N3CCNC(=O)C3)CC[C@@H]21	560361909	ZLBIVMHPNDAIJJ-NEPJUHHUSA-N	339.396	-1.941	0	40	EAAB	
CN1CCN(C[C@@]2(O)CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1	607854404	VZQSIXYUTCOUFI-ZFWWWQNUSA-N	345.465	-1.368	0	40	EAAB	
CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@@H]3O[C@H](C)CC(=O)[C@]3(O)O[C@@H]12	57406610	UNFWWIHTNXNPBV-ZNKQYIIUSA-N	332.353	-2.926	0	40	EAAB	
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1	4305204	ZIJIVXQYSFDFGT-RKDXNWHRSA-N	331.437	-1.378	0	40	EAAB	
OC[C@@H]1O[C@](CO)(NNC(=S)Nc2ccccc2)[C@H](O)[C@@H]1O	5338401	OFZZPKSOLKXBRK-WGBDABJCSA-N	329.378	-1.721	0	40	EAAB	
Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@@H](O)CN1CCOCC1	40287476	JWTWCORUHKJTAI-GFCCVEGCSA-N	339.396	-1.215	0	40	EAAB	
CNC(=O)[C@H]1CN(Cc2ccn(C)n2)CCN(S(C)(=O)=O)C1	257339730	ZCYIZZBPUMECEE-NSHDSACASA-N	329.426	-1.141	0	40	EAAB	
Cn1c(=O)c2c(ncn2CCC(=O)NS(C)(=O)=O)n(C)c1=O	40543883	ZFTUNTUZHSVTFU-UHFFFAOYSA-N	329.338	-2.100	0	40	EAAB	
CN(C)S(=O)(=O)N1CCCN(S(=O)(=O)c2c[nH]cn2)CC1	238961045	YLULSURUVPZRTO-UHFFFAOYSA-N	337.427	-1.088	0	40	EAAB	
Cn1c(N)nc2c([nH]c(=O)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1=S	5030522	COFAYHUVZNKQBC-FHTXDIHVSA-N	329.338	-2.014	0	40	EAAB	
O=C(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O	4523257	XPYBSIWDXQFNMH-OTWZMJIISA-N	340.114	-3.143	0	40	EAAB	
NCCCC[C@H](NC(=O)[C](Cc1cnc[nH]1)NC(=O)CN)C(=O)O	1560410176	BXTLBXVDQVHHLO-JTQLQIEISA-N	339.376	-1.743	0	40	EAAB	
CC1(C)NC(=O)N(CC(=O)N2C[C@@H](O)[C@H](N3CCOCC3)C2)C1=O	257318378	VNQNEUIWKRRCHO-GHMZBOCLSA-N	340.380	-1.779	0	40	EAAB	
COCCO[C@H]1[C@@H](n2cnc3c(N)ncnc32)O[C@@H](CO)[C@H]1O	65743242	PUDXUJRJLRLJIU-YTDXRRJTSA-N	325.325	-1.309	0	40	EAAB	
CC(=O)NCCC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(C)=O)C2)C1	514288526	BZLCXOBIJNIHFW-UONOGXRCSA-N	338.408	-1.609	0	40	EAAB	biogenic,in-vitro
CCNC(=O)NC(=O)CN1CCN(S(=O)(=O)N2CCCC2)CC1	44896850	VEPNPTYHMJSVPP-UHFFFAOYSA-N	347.441	-1.210	0	40	EAAB	
OCC1=C[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	4268353	RJWJHRPNHPHBRN-QTYPFEFVSA-N	346.332	-2.802	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)c2cscn2)C[C@H](C(N)=O)C1	257250078	JKXZIBIBVZPWIX-QMMMGPOBSA-N	332.407	-1.038	0	40	EAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CF)[C@@H](O)[C@@H]2O)cc1N1CCOCC1	5496723	SLCFSGJZGPHBGV-MIZYBKAJSA-N	331.300	-2.038	0	40	EAAB	
COC(=O)[C@@]1(OC(C)=O)O[C@H](CO)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	16321773	YIFIGQANHVKYAX-DCQANWLSSA-N	334.277	-1.327	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@@H]3CS[C@H](O3)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	104202199	JZYBVBYQKHRNFI-VNAVKFCMSA-N	340.350	-3.635	0	40	EAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	253532652	JYFOSWJYZIVJPO-HNRZYHPDSA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
CN(C)S(=O)(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1	257281488	OPKKXJMCAPVLHQ-QWRGUYRKSA-N	341.455	-1.346	0	40	EAAB	
COCCCNCC(=O)N1CCN(C(=O)CNCCCOC)CC1	4946098	VUCJSOWFGUCFCN-UHFFFAOYSA-N	344.456	-1.091	0	40	EAAB	
CN(C)C(=O)CN1C(=O)CO[C@@H]2CN(C(=O)c3csnn3)C[C@H]21	1614940984	WXZUNAOLWAJPOX-NXEZZACHSA-N	339.377	-1.322	0	40	EAAB	
C[C@@H]1C[C@@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1	69950840	YVQOFOIWNLAQEM-CHWSQXEVSA-N	346.453	-1.200	0	40	EAAB	
O=P(O)(O)OC[C@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H]1O	3869914	RNBGYGVWRKECFJ-VANKVMQKSA-N	340.114	-2.986	0	40	EAAB	endogenous,in-man
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O	4899760	JYPCXBJRLBHWME-IUCAKERBSA-N	328.373	-2.231	0	40	EAAB	biogenic
COc1nc2c(nc(N)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5546006	XEVQFEHJYUJYFP-DALOQIEPSA-N	343.296	-3.317	0	40	EAAB	
CSc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886084	HCNZUFTYFCPWCS-KQYNXXCUSA-N	343.365	-1.954	0	40	EAAB	
CCOCCn1c(N2CCNCC2)nc2c1c(=O)n(C)c(=O)n2C	62720599	NUHRBGGMUZUQAA-UHFFFAOYSA-N	336.396	-1.120	0	40	EAAB	
N[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2N)[C@@H](CO)O[C@H]1O	247658125	QLTSDROPCWIKKY-KMOSLEBPSA-N	340.329	-5.464	0	40	EAAB	
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc[n+]([O-])c(N)c12	4824753	UOVIVZARICJTSJ-QNQPIPONSA-N	325.281	-3.038	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@H]3CS[C@H](O3)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	5573563	JZYBVBYQKHRNFI-GFPNAEFDSA-N	340.350	-3.635	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1	79495328	OZWNIWLDTKLTEW-UHFFFAOYSA-N	347.393	-1.238	0	40	EAAB	
CC(C)(C)[C@@]1(O)C[C@H]2OC(=O)C[C@]23C(=O)O[C@@]2(O)OC(=O)[C@@H](O)[C@@]123	584577021	DLMZRYRAKAOJTA-BVUNPDIZSA-N	342.300	-1.424	0	40	EAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CF)[C@@H](O)[C@H]2O)cc1N1CCOCC1	5496721	SLCFSGJZGPHBGV-BTQIBKBOSA-N	331.300	-2.038	0	40	EAAB	
C[C@@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CCOCC1	46263928	OFKHXGRCNOBYQA-LBPRGKRZSA-N	334.442	-1.006	0	40	EAAB	
CN1CCN([C@@H]2CN(C(=O)CN3C(=O)CNC3=O)C[C@H]2O)CC1	257244536	ILUHGRPEMXJUNR-GHMZBOCLSA-N	325.369	-2.643	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)c1nc2ccccc2[nH]1	5479720	VCZJPYKFMQAPIN-GRRRKWKPSA-N	328.321	-2.607	0	40	EAAB	
CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@]3(O)O[C@@H]12	57406611	UNFWWIHTNXNPBV-KVOWPVTRSA-N	332.353	-2.926	0	40	EAAB	
CC(=O)NC[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1	5063310	OOKFNXQNFKPUCA-YIYPIFLZSA-N	327.333	-1.577	0	40	EAAB	
C[C@@H](OC(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N1CCNC1=O	12600482	GNJWIFNYZLTCIU-SSDOTTSWSA-N	344.349	-1.230	0	40	EAAB	
Cn1c(=O)c2c(ncn2CC[n+]2cccc(C(N)=O)c2)n(C)c1=O	13283539	ZCKVJGZASSRSAX-UHFFFAOYSA-O	329.340	-1.480	0	40	EAAB	
OCCN1CCOCCOCCN(CCO)CCN(CCO)CC1	19228135	KTSAKNHVAZUOIC-UHFFFAOYSA-N	349.472	-2.084	0	40	EAAB	
Nc1ncn([C@@H]2O[C@H](CO[P@](N)(=O)O)[C@H](O)[C@H]2O)c2ncnc1-2	105364170	XXMJFALDJQNNLC-GAWUUDPSSA-N	346.240	-1.945	0	40	EAAB	
OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	100890944	GUBGYTABKSRVRQ-QFWYRNPYSA-N	342.297	-5.397	0	40	EAAB	
CSc1nc2c(ncn2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5812909	UJFIYPFEIVGXBG-IOSLPCCCSA-N	328.350	-1.537	0	40	EAAB	
O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4530277	OTXTVZCNOLCXPB-CLPYTZEMSA-N	343.332	-2.766	0	40	EAAB	
O[C@H](COCCOC[C@@H](O)CN1CCNCC1)CN1CCNCC1	1857524241	XNDIXKWZFHBWQI-HOTGVXAUSA-N	346.472	-2.448	0	40	EAAB	
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc[n+]([O-])c(N)c12	4824754	UOVIVZARICJTSJ-HIFLKKFUSA-N	325.281	-3.038	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@@H](CO)[C@@H](O)[C@H]1O	62725227	AVCNXSQPUQMVNJ-HPCHECBXSA-N	340.332	-1.260	0	40	EAAB	
Cn1cc(NC(=O)Nc2cn(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O	144203724	KWTJZBMGCDCTJZ-UHFFFAOYSA-N	336.308	-1.875	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	3830982	GUBGYTABKSRVRQ-MOTIBIMHSA-N	342.297	-5.397	0	40	EAAB	in-man
OC[C@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	100890940	GUBGYTABKSRVRQ-COZRNNPFSA-N	342.297	-5.397	0	40	EAAB	
O=C1OC[C@@]23CC(=O)[C@](O)(c4oc(CO)cc(=O)c4O)[C@H](C[C@H]12)O3	104204931	RWGQGHBQZAGYRO-KOWZOONDSA-N	338.268	-1.301	0	40	EAAB	
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	13481490	JYFOSWJYZIVJPO-KSFQGOMNSA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)c2cncs2)C[C@@H](C(N)=O)C1	257210140	BTJFYJFPVPAAPP-MRVPVSSYSA-N	332.407	-1.038	0	40	EAAB	
Cn1c(N)c(C(=O)COC(=O)C2=COCCO2)c(=O)n(C)c1=O	3333243	WUHUPHFONZEEKH-UHFFFAOYSA-N	325.277	-1.720	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O	31703892	CPWDQTVVDKAHLL-VVSAWPALSA-N	341.316	-1.293	0	40	EAAB	
CN1C(=O)C(=O)N(CN2CCN(S(=O)(=O)N(C)C)CC2)C1=O	40501202	JZHKZZPAOPZILT-UHFFFAOYSA-N	333.370	-2.212	0	40	EAAB	
Cc1c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc2n1CCCO	6665138	HEEUJDSESOTODE-UHFFFAOYSA-N	348.363	-1.366	0	40	EAAB	
CN(C)C(=O)CN1CCOC[C@@]2(C1)CN(S(C)(=O)=O)CCO2	96076837	MBLFJTUXAIVTKY-CYBMUJFWSA-N	335.426	-1.563	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	16889851	HDTRYLNUVZCQOY-NCFXGAEVSA-N	342.297	-5.397	0	40	EAAB	biogenic,in-vitro
Cn1nc(C(=O)NCCn2nc(-n3cccn3)ccc2=O)ccc1=O	70640992	CHTBWFVMPYMRTA-UHFFFAOYSA-N	341.331	-1.047	0	40	EAAB	
Cc1ccc(C2=NN[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S2)cc1	4351044	DIXHZOQDZWHDET-CBLPJQPBSA-N	328.390	-1.245	0	40	EAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[nH]1	8655927	VZOSVGAXSLLDML-IRPHGTLLSA-N	334.354	-2.714	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19322873	RNZZLJJRTGHUGN-VOUJRGJMSA-N	330.381	-3.025	0	40	EAAB	
O=C(NCCn1nnn(-c2ccccc2)c1=O)c1ccc(=O)[nH]n1	12145983	JUXMVWZWECNDJH-UHFFFAOYSA-N	327.304	-1.058	0	40	EAAB	
OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	26892042	GUBGYTABKSRVRQ-GAXRGOLKSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CCc1nnc2n1C[C@H](NC(=O)Cn1ccc(=O)n(C)c1=O)CC2	97198163	YSCKNYRRBIHUQZ-SNVBAGLBSA-N	332.364	-1.168	0	40	EAAB	
COc1nc(CNS(=O)(=O)N(C)C)nc(N2CCOCC2)n1	575607664	PFSQPBOHVDVKDT-UHFFFAOYSA-N	332.386	-1.387	0	40	EAAB	
CN1CCC(N[C@@H]2CO[C@H](CNC(=O)N3CCOCC3)[C@H]2O)CC1	77265462	FANCTGMNMNFEON-KFWWJZLASA-N	342.440	-1.160	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)CCNC(=O)c2cnccn2)CC1	95479987	WOLKPNBEBDAZFE-UHFFFAOYSA-N	341.393	-1.300	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@H]1n1c(=O)oc2ccccc21	104195520	QGEMCCHZKBTJJI-MQLXINIDSA-N	338.316	-1.289	0	40	EAAB	
Cc1cc(C)n(CC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)n1	643586171	BVCRBACEPHZPCP-FMKPAKJESA-N	338.408	-1.235	0	40	EAAB	
COC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	1576096	WMKCPTRURVRKRM-RYUDHWBXSA-N	340.332	-1.076	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	8614392	GRSZFWQUAKGDAV-HGOUYRHRSA-N	348.208	-2.152	0	40	EAAB	
COC(=O)[C@H]1O[C@@](OBr)(C(C)=O)[C@H](O)[C@@H](O)[C@@H]1O	87493267	HWPDPKYKNYSJNK-GDOKVURESA-N	329.099	-1.747	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@@H]1n1c(=O)oc2ccccc21	104195518	QGEMCCHZKBTJJI-POQQGIQPSA-N	338.316	-1.289	0	40	EAAB	
Cc1ccc(=O)n(CC(=O)N2CC[C@](O)(CN3CCOCC3)C2)n1	257311536	UJYQCWGTWFRSEZ-INIZCTEOSA-N	336.392	-1.153	0	40	EAAB	
Cn1c(N)c(C(=O)CSc2nc(N)cc(N)n2)c(=O)n(C)c1=O	3332864	NSZHTSDMOBELSE-UHFFFAOYSA-N	337.365	-1.404	0	40	EAAB	
CN(C)CCN(C)[C@@H]1[C@H](O)[C@H](CO)O[C@@H]1CNC1CCOCC1	20464986	VUBUZIHLNKASCK-FXUDXRNXSA-N	331.457	-1.262	0	40	EAAB	biogenic,in-vitro
CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)Cn2nc(C)ccc2=O)C1	257251396	JQPFBEUMOCZTMG-ZDUSSCGKSA-N	349.391	-1.395	0	40	EAAB	
COC(=O)[C@@H]1O[C@@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	15260983	CLHFNXQWJBTGBL-XPORZQOISA-N	334.277	-1.328	0	40	EAAB	
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	5544934	YTUQCKKNKXPLCM-DALOQIEPSA-N	337.716	-2.356	0	40	EAAB	
O=P(O)(O)OC[C@H]1O[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O	12502703	RWHOZGRAXYWRNX-DVKNGEFBSA-N	340.114	-2.987	0	40	EAAB	in-vitro
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2O	19323015	SROWMOMOKMQMBI-VOUXDCKRSA-N	332.397	-3.233	0	40	EAAB	
C[C@H](C(=O)N[C@H]1CCS(=O)(=O)C1)N1CCO[C@H](CN(C)C)C1	69737717	UYLSGOFHVGJITE-FRRDWIJNSA-N	333.454	-1.059	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)c2ccccn2)C[C@H](C(N)=O)C1	257265455	LYTFHCOULQTOPR-JTQLQIEISA-N	326.378	-1.100	0	40	EAAB	
OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	605695143	DLRVVLDZNNYCBX-SDWOOCBUSA-N	342.297	-5.397	0	40	EAAB	in-vitro
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncn3ccnc3c12	4771508	YHUUEZKVMQVPHH-SRXVSCBRSA-N	333.304	-1.606	0	40	EAAB	
O=C(NCCCN1CCOCC1)C(=O)Nc1c[nH]c(=O)[nH]c1=O	20676870	CMJAKDYKAVWCMR-UHFFFAOYSA-N	325.325	-2.160	0	40	EAAB	
CN(C)C(=O)CN1[C@@H]2CN(C3COC3)C[C@@H]2OCCS1(=O)=O	1534645793	DTFBVAVQVXVTBC-NEPJUHHUSA-N	333.410	-1.812	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5201839	KXONZRPGKNOGCG-FRLDGKEYSA-N	345.345	-6.552	0	40	EAAB	
O=C1OC[C@@]23CC(=O)[C@@](O)(c4oc(CO)cc(=O)c4O)[C@@H](C[C@H]12)O3	5639796	RWGQGHBQZAGYRO-IPPDEUEWSA-N	338.268	-1.301	0	40	EAAB	
CCN(C(=O)CNC[C@@H]1CN(C)CCO1)[C@H]1CCS(=O)(=O)C1	69564997	YECOIEKSZIEREN-QWHCGFSZSA-N	333.454	-1.058	0	40	EAAB	
CC(=O)NC1=C(/C(O)=C(\O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N	1560410192	HWHQMRSMCLWJQC-XRNQXKHXSA-N	328.281	-1.496	0	40	EAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1N1CCOCC1	4896187	WPLWAMWABWXDPR-XNDJQWLSSA-N	329.309	-3.015	0	40	EAAB	
Cc1cc(C(=O)NCC2(O)CN(C(=O)c3c[nH]c(=O)cn3)C2)ncn1	1042593344	WTASZDRLNJDWAL-UHFFFAOYSA-N	344.331	-1.515	0	40	EAAB	
Cc1ccc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cn1	257274623	NLXMXAGHODFFHW-YPMHNXCESA-N	329.378	-1.513	0	40	EAAB	
O=C(O)/C=C/C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)/C=C/C(=O)O	12176518	ICZJUCYXCXMUFC-ZWVMUIANSA-N	346.317	-2.334	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O	4513860	QDFHPFSBQFLLSW-HGOUYRHRSA-N	347.224	-1.863	0	40	EAAB	
N[C@H]1[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](N)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O	64219075	QLTSDROPCWIKKY-PQSNUYQTSA-N	340.329	-5.464	0	40	EAAB	
NC(=O)c1ncn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1N	3869390	NOTGFIUVDGNKRI-PXMDKTAGSA-N	338.213	-2.707	0	40	EAAB	in-vitro,metabolite
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C(=O)O)O[C@@H](CO)[C@@H](O)[C@@H]1O	5197048	CPWDQTVVDKAHLL-BGPZULBFSA-N	341.316	-1.293	0	40	EAAB	
C[C@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	32770128	JMOIJAVVTYTPGP-SNVBAGLBSA-N	349.413	-2.236	0	40	EAAB	
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](O)[C@@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	36378915	ZQLBHQSQMQLFBM-LEZGYBIHSA-N	348.304	-1.551	0	40	EAAB	
C[C@@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1N(C)C	78896429	FVQFQLRUKYXOGT-GHMZBOCLSA-N	348.407	-1.158	0	40	EAAB	
Cn1nccc1C(=O)N1CC[C@@]2(Cc3nn(C)c(=O)c(=O)n3C2)C1	306139561	TUFXLXYZAMAUEM-OAHLLOKOSA-N	330.348	-1.236	0	40	EAAB	
Cn1nnnc1SCC(=O)NC(=O)CSc1nnnn1C	9667846	DPUZKGYUPIEJTR-UHFFFAOYSA-N	329.371	-1.739	0	40	EAAB	
CC(=O)SC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)NCC(=O)O	31350710	FVRWSIPJNWXCEO-SFYZADRCSA-N	349.365	-1.856	0	40	EAAB	in-vitro
CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)C[C@H](C(N)=O)C1	257220292	DKHBRIJOOBXDEF-NSHDSACASA-N	332.426	-1.713	0	40	EAAB	
CN(C)C(=O)Cn1nc2n(c1=O)CCN(Cc1ccnc(N)c1)C2	330180286	FXLDHXMDGBKTEU-UHFFFAOYSA-N	331.380	-0.874	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	13549339	GUBGYTABKSRVRQ-JFCODZKKSA-N	342.297	-5.397	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	96220808	ONFXBIPJPAWLNU-QYVSTXNMSA-N	337.336	-1.669	0	40	EAAB	biogenic
Cn1nccc1C(=O)N1CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C1	257210574	BVFLCSYYIQQGAO-ZYHUDNBSSA-N	332.382	-2.093	0	40	EAAB	
NCCCCC(=O)N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257298496	RLYQCPCXJQTVFP-DMTCVQMQSA-N	340.380	-1.381	0	40	EAAB	
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@@H](O)[C@H]1O	253537473	BSPZZSXFWWMDMA-RYVZHVEOSA-N	325.281	-1.704	0	40	EAAB	
CC(=O)N1CCO[C@](C)(C(=O)N2CCN(S(C)(=O)=O)CC2)C1	257316663	VGMVFJYNWHHFLT-ZDUSSCGKSA-N	333.410	-1.272	0	40	EAAB	
O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17703864	XCAXTILLADBPII-FJFJXFQQSA-N	347.125	-1.506	0	40	EAAB	
CN1C(=O)CO[C@@H]2CCN(C(=O)c3ccc(=O)n(CC(N)=O)c3)C[C@@H]21	585261338	YQWBKUDHQPCMGF-NWDGAFQWSA-N	348.359	-1.595	0	40	EAAB	
Cn1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c(=O)n(C)c1=O	11175108	IXESDBNQCHISDN-UHFFFAOYSA-N	338.345	-1.016	0	40	EAAB	
CS(=O)(=O)c1nc(C(=O)NC(C(N)=O)C(N)=O)c2ccccn12	71833059	RAENZJGOVIEHSH-UHFFFAOYSA-N	339.333	-2.193	0	40	EAAB	
CNc1nccnc1[C@H]1CN(C(=O)CNS(C)(=O)=O)CCO1	257257062	KNYBLHUHWRSRBE-SECBINFHSA-N	329.382	-1.033	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@@H](O)[C@@H]1O	17107643	OPWIOJXVAPJXSD-UHTZMRCNSA-N	345.256	-1.930	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	71789717	CZMRCDWAGMRECN-YOWFPIFUSA-N	342.297	-5.396	0	40	EAAB	in-vitro
CC(C)(C)[C@@]1(O)C[C@H]2OC(=O)C[C@]23C(=O)O[C@@]2(O)OC(=O)[C@@H](O)[C@]123	584577022	DLMZRYRAKAOJTA-NRAOASQVSA-N	342.300	-1.424	0	40	EAAB	
CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1	235946	OAZYZNIFBMDSFR-UHFFFAOYSA-N	335.368	-2.329	0	40	EAAB	
C[C@@H](Cn1cccn1)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	48009584	MTVCWDBUKHQYLX-VIFPVBQESA-N	327.366	-1.353	0	40	EAAB	
OCC1=C[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	253617506	RJWJHRPNHPHBRN-LFLJQAOISA-N	346.332	-2.802	0	40	EAAB	
O=C(NCCn1cnccc1=O)C(F)(F)C(=O)N1CCOCC1	585138607	MYFSLKXYJCBSMT-UHFFFAOYSA-N	330.291	-1.146	0	40	EAAB	
Nc1ccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	4429546	VZBMXGFETMNGKT-KQSJRHEJSA-N	334.350	-2.653	0	40	EAAB	
C[C@H](Cn1cccn1)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	48009585	MTVCWDBUKHQYLX-SECBINFHSA-N	327.366	-1.353	0	40	EAAB	
CN1CCN(C[C@@]2(O)CCN(C(=O)CCN3CCOCC3)C2)CC1	257218302	DCOWTXYETSBTHY-KRWDZBQOSA-N	340.468	-1.081	0	40	EAAB	
CC(C)c1cc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)on1	257216092	CTBHOMOWTSEDRI-YPMHNXCESA-N	347.393	-1.105	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)OCCO)[C@@H](O)[C@H]1O	4774220	ZSWSWPYKBOZWGV-RFOGZPIASA-N	325.281	-2.437	0	40	EAAB	in-vitro
CN[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@H]2[C@H](NC)[C@@H]1O	5273778	UNFWWIHTNXNPBV-QDYZULMMSA-N	332.353	-2.926	0	40	EAAB	
O=S1(=O)C[C@H](O)[C@@H](N(CCO)S(=O)(=O)c2ccccc2)C1	575420295	AGFBZNKXMPKJQN-RYUDHWBXSA-N	335.403	-1.173	0	40	EAAB	
O=c1[nH]cc(NC(=S)N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35878008	FYJOXXMQCPXOJZ-FIJBBSBCSA-N	348.337	-3.851	0	40	EAAB	biogenic
CN(C)CCNc1c(NC[C@@H](O)CN2CCOCC2)c(=O)c1=O	101698649	WMPHDWVJFLIECD-LLVKDONJSA-N	326.397	-1.639	0	40	EAAB	
CS(=O)(=O)N1CC(C(=O)N2CC[C@](O)(CN3CCCC3)C2)C1	257222014	DRNMOKLJHFMMEC-AWEZNQCLSA-N	331.438	-1.063	0	40	EAAB	
Nc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@H]3O[P@](=O)(O)O[C@H]23)c(=O)[nH]1	4545949	UASRYODFRYWBRC-HFXAWCPLSA-N	345.208	-1.524	0	40	EAAB	
Nc1nc(NCC(=O)O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1	4919391	XYLOQYGJWSRLAS-UYMRUIBKSA-N	340.296	-2.484	0	40	EAAB	
CSCC[C@@H](C(=O)O)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)N=O	5812403	SRNXMKFKDGBPJW-UFFKNHFXSA-N	340.354	-2.022	0	40	EAAB	
O=C(CO)C[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	79669864	FTMPSFVZTWQVGJ-WWJWFVIOSA-N	326.298	-4.524	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CN2CCCC2)C[C@@H](C(N)=O)C1	257220291	DKHBRIJOOBXDEF-LLVKDONJSA-N	332.426	-1.713	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)OCCO)[C@@H](O)[C@H]1O	1556941	ZSWSWPYKBOZWGV-PRKAOEEVSA-N	325.281	-2.437	0	40	EAAB	in-vitro
OCC1=C[C@H](N[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	16052241	YCJYNBLLJHFIIW-MBABXGOBSA-N	335.353	-4.577	0	40	EAAB	in-vitro
C[C@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)CCCCN)C(=O)O	255985788	LOGFVTREOLYCPF-QCNOEVLYSA-N	344.412	-1.616	0	40	EAAB	
CNC(=S)N1CCN(c2nc3c([nH]2)c(=O)n(C)c(=O)n3C)CC1	4818418	VVZYJHMNBZWWDB-UHFFFAOYSA-N	337.409	-1.413	0	40	EAAB	
O=C(O)/C=C\C(=O)NCCOCCOCCNC(=O)/C=C\C(=O)O	100471748	JUQYEDJAHPPVIF-CCAGOZQPSA-N	344.320	-1.466	0	40	EAAB	in-vitro
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	248006441	HLLZGYFHHYGOLN-SKXYDWFMSA-N	326.298	-4.370	0	40	EAAB	in-vitro
O=S1(=O)C[C@@H](N(CCO)S(=O)(=O)c2ccccc2)[C@@H](O)C1	575420292	AGFBZNKXMPKJQN-NEPJUHHUSA-N	335.403	-1.173	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	4353761	GRSZFWQUAKGDAV-PERBPWGJSA-N	348.208	-2.152	0	40	EAAB	
CC(=O)NC[C@]1(O)CCN(C(=O)C2CCN(C(C)=O)CC2)C[C@H]1O	257222344	DSXLADFMAOKJQZ-GDBMZVCRSA-N	341.408	-1.295	0	40	EAAB	
NCCC(=O)N1CCOC[C@@](O)(CNC(=O)c2cscn2)C1	257226798	FMFXWDBVJCPKQP-CYBMUJFWSA-N	328.394	-1.188	0	40	EAAB	
N[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2N)[C@@H](CO)O[C@H]1O	2060993442	QLTSDROPCWIKKY-YEJFJVNHSA-N	340.329	-5.464	0	40	EAAB	
NC(=O)NC(=O)/C=C/C(=O)OCCOC(=O)/C=C/C(=O)NC(N)=O	16970127	QCCPIJQIBJOCIE-ZPUQHVIOSA-N	342.264	-2.425	0	40	EAAB	
CCCn1c(N2CCN(CCO)CC2)nc2c1c(=O)[nH]c(=O)n2C	22768328	QJXDCNHIQPXYNJ-UHFFFAOYSA-N	336.396	-1.052	0	40	EAAB	
CS(=O)(=O)N1CC(C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)C1	70817823	GPEBMIQLSOHSQQ-GFCCVEGCSA-N	345.421	-1.272	0	40	EAAB	
Cn1nc(C(=O)NCCn2nc(-n3cncn3)ccc2=O)ccc1=O	96025194	LTZLQQBTPCJJGE-UHFFFAOYSA-N	342.319	-1.652	0	40	EAAB	
CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O	2566274	YYZJRQOAVRANIE-JBDRJPRFSA-N	344.368	-1.890	0	40	EAAB	
Nc1nc2c(c(=O)[nH]1)c1c(N)ncnc1n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5385129	SNKLMUGPSNINBD-MQQQIBFLSA-N	349.307	-2.556	0	40	EAAB	
CNS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N(C)C)c1	58266995	KDQMBTSYYOHIOG-UHFFFAOYSA-N	335.407	-1.039	0	40	EAAB	
O=C1N[C@H]2[C@@H](c3cc4c(c(O)c31)OCO4)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O	61852924	VREZDOWOLGNDPW-YPPZGSDGSA-N	325.273	-2.226	0	40	EAAB	
O[C@@H](COCCOC[C@H](O)CN1CCNCC1)CN1CCNCC1	1857524242	XNDIXKWZFHBWQI-HZPDHXFCSA-N	346.472	-2.448	0	40	EAAB	
Cn1c(N)c(C(=O)CSc2nc(N)cc(=O)[nH]2)c(=O)n(C)c1=O	8685847	BWBZQDPKZHXVBP-UHFFFAOYSA-N	338.349	-1.693	0	40	EAAB	
O=C(O)c1ccccc1C(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	4803787	BFMROEPNVMUGNL-FDKVEUBTSA-N	327.289	-2.086	0	40	EAAB	
CCOC(=O)NC(=O)c1cn(CCN2CCNCC2)c(=O)[nH]c1=O	19365227	KSCGCLBSVCNVTI-UHFFFAOYSA-N	339.352	-1.672	0	40	EAAB	
COC1=NC(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)=C(NC(C)=O)CN1C	5602219	RMKNVDKMSJYFMY-SVDPJWKOSA-N	330.341	-2.732	0	40	EAAB	
Cc1ccnn1CCC(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586209	IAKYHWHMNXRHTA-FMKPAKJESA-N	338.408	-1.154	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1Nc1ccc(C(=O)O)cc1	242400353	AVCNXSQPUQMVNJ-XHJNMGKDSA-N	340.332	-1.260	0	40	EAAB	
O=C(O)COCC(=O)N1C[C@@H](O)[C@H](n2cc(F)c(O)nc2=O)C1	257258944	KWERZWZPJVXLMO-HTQZYQBOSA-N	331.256	-2.067	0	40	EAAB	
CNC(=O)[C@@H]1COC2(CN1C)CN(S(=O)(=O)c1cccnc1)C2	248080237	OUMGVPKEGQEZNX-LBPRGKRZSA-N	340.405	-1.099	0	40	EAAB	
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@@H](O)[C@@H]1O	3882070	VIZPZFFVVXGXQO-MBMOQRBOSA-N	326.087	-3.028	0	40	EAAB	biogenic
COC(=O)CNC(=O)c1cc(OCC(=O)N2CCOCC2)n(C)n1	57312512	RZGDNERNLZPQAD-UHFFFAOYSA-N	340.336	-1.440	0	40	EAAB	
Nc1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(Br)nc1-2	103046821	LTPDBNBCLYIPDB-HAVMAKPUSA-N	346.141	-1.266	0	40	EAAB	
NC(=O)NC(=O)/C=C\C(=O)OCCOC(=O)/C=C/C(=O)NC(N)=O	104335026	QCCPIJQIBJOCIE-HSFFGMMNSA-N	342.264	-2.425	0	40	EAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)[nH]1	5544960	VIYJZVFQPBWUJQ-XMURUDDGSA-N	347.349	-2.484	0	40	EAAB	
CC(=O)c1c(O)cc(O)cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	5167512	GFKQVLKFPJGJEP-RGCYKPLRSA-N	330.289	-1.521	0	40	EAAB	biogenic,in-vitro
Cc1cc(=O)n2nc(CC(=O)N[C@H]3CCS(=O)(=O)C3)nc2[nH]1	9305612	OWGNSTKUXSJBFW-QMMMGPOBSA-N	325.350	-1.428	0	40	EAAB	
CC(=O)N1CCN(C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1	12746334	SBELXQZWOOKDAU-UHFFFAOYSA-N	345.359	-1.064	0	40	EAAB	
CCO[C@@H]1O[C@H](COC(=O)[C@H](O)CC(=O)OC)[C@@H](O)[C@H](O)[C@H]1O	1549184294	QQNSWUUBBDRRGR-MREXDXARSA-N	338.309	-2.702	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1C=O	4088063	DIOIKYCIVSLRPT-RMEBNNNOSA-N	325.317	-1.178	0	40	EAAB	
CN(C)c1nc(CNC(=O)Cn2cncn2)nc(N2CCOCC2)n1	575605785	FHKPDEHHDCAJRM-UHFFFAOYSA-N	347.383	-1.318	0	40	EAAB	
Cn1cc(C(=O)NC2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)cn1	49016218	NNTDYVLBKNJGTA-NSHDSACASA-N	348.363	-1.261	0	40	EAAB	
Cc1ccc(=O)n(CC(=O)N2CC[C@@](O)(CN3CCOCC3)C2)n1	257311537	UJYQCWGTWFRSEZ-MRXNPFEDSA-N	336.392	-1.153	0	40	EAAB	
[O]/C(COP(=O)(O)O)=C(/O)[C@H](O)[C@H](O)COP(=O)(O)O	1560408815	ONXGDJUCHFJDTK-NQXXGFSBSA-N	339.106	-1.873	0	40	EAAB	
CNC(=O)[C@@H]1COC2(CN1C)CN(S(=O)(=O)c1cn(C)cn1)C2	248097362	YVCYTFWJLMGIKO-JTQLQIEISA-N	343.409	-1.760	0	40	EAAB	
Cn1c(O)c(-n2[nH]c(=O)n(-c3ccccc3)c2=O)c(=O)n(C)c1=O	98175596	WPFZUDUPZCQODY-UHFFFAOYSA-N	331.288	-1.581	0	40	EAAB	
CN1CCN(C(=O)CN2CCN(CCO)CC2)C[C@H](C(N)=O)C1	257217824	DATUSXUSTHPALN-CYBMUJFWSA-N	327.429	-2.528	0	40	EAAB	
CC(C)C[C@H](NC(=O)COCCO)C(=O)OCCOC(=O)CO	2060999793	LXOFUWSVBKHTGR-NSHDSACASA-N	335.353	-1.395	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O	18166302	HDTRYLNUVZCQOY-YWKIKSNOSA-N	342.297	-5.397	0	40	EAAB	biogenic,in-man
CS(=O)(=O)N1CCC(NC(=O)Cn2ccc(=O)[nH]c2=O)CC1	40497314	MSZFXHMBWQMIFJ-UHFFFAOYSA-N	330.366	-1.923	0	40	EAAB	
NC(=O)[C@@H]1CC(C(=O)NCCS(N)(=O)=O)=NN1c1ccccc1	56862811	OPGPCNUAIHSGIH-NSHDSACASA-N	339.377	-1.489	0	40	EAAB	
COc1nc(OC)nc(N2CCO[C@@H](C(=O)N3CCOCC3)C2)n1	1889128430	IYSTXASIDLRTHJ-SNVBAGLBSA-N	339.352	-1.047	0	40	EAAB	
NCCCC[C@@H](N)C(=O)N1C[C@H](O)[C@@H](n2cnc3c(N)ncnc32)C1	2037819082	BJLAIFFBSKYYCL-VWYCJHECSA-N	348.411	-1.391	0	40	EAAB	
CN1CCN(C[C@@]2(O)CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1	607854402	VZQSIXYUTCOUFI-HIFRSBDPSA-N	345.465	-1.368	0	40	EAAB	
C[C@@]1(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1	5677698	OWUUFSYKDYROKF-RKDXNWHRSA-N	331.437	-1.330	0	40	EAAB	
COc1cc(/C=C/CO)ccc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	1532736	SFLMUHDGSQZDOW-HSUREJHMSA-N	342.344	-1.121	0	40	EAAB	in-vitro
Cn1nc(C(=O)N[C@H]2CCS(=O)(=O)C2)c2c1CCS(=O)(=O)C2	41070302	KICMPALFHUAWHV-QMMMGPOBSA-N	347.418	-1.192	0	40	EAAB	
CS(=O)(=O)NC[C@@H]1CCCN(C(=O)Cn2nc(O)ccc2=O)C1	48353627	HNIIKSOGXCJCOT-JTQLQIEISA-N	344.393	-1.263	0	40	EAAB	
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)[nH]1	5544775	WSXCNSWFRVAPEM-JFEMGPMLSA-N	345.308	-2.807	0	40	EAAB	
CN(C)C(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	23397873	RHKRMALBMXAXLY-UHFFFAOYSA-N	340.361	-1.075	0	40	EAAB	
CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@H](C)OC(=O)C2=C(O)C[C@@H](O)[C@@H](O)[C@H]21	104135751	NJJYAZPQTKXTOQ-PHSBXVNVSA-N	342.348	-1.505	0	40	EAAB	
CN1CCN(C[C@]2(O)CCN(S(=O)(=O)c3cn[nH]c3)C2)CC1	257335974	YMQDGICCMOKDSF-CYBMUJFWSA-N	329.426	-1.217	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	229742846	ONFXBIPJPAWLNU-PYSAPBNWSA-N	337.336	-1.669	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1C=O	4088062	DIOIKYCIVSLRPT-QRTUWBSPSA-N	325.317	-1.178	0	40	EAAB	
NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O	4899464	GCMWRRQAKQXDED-IUCAKERBSA-N	332.357	-2.007	0	40	EAAB	
C[C@H](O)CNC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1	40540734	SIZGBEIOXIJDFR-NSHDSACASA-N	338.408	-1.207	0	40	EAAB	
Cc1nn(C)c(C)c1NC(=O)C(=O)NC[C@H](O)CN1CCOCC1	40287475	JWTWCORUHKJTAI-LBPRGKRZSA-N	339.396	-1.215	0	40	EAAB	
CC[C@]1(C)NC(=O)N(NC(=O)CN[C@H]2CCc3ncnn3C2)C1=O	75603388	BFOUAZDLNJCHCE-XPTSAGLGSA-N	335.368	-1.066	0	40	EAAB	
COc1ccccc1NC(=S)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	1505840695	RKXMCLMEZCCOOQ-UJPOAAIJSA-N	344.389	-1.219	0	40	EAAB	
NC(=O)CN1CCC(NC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1	89819379	RHHLKXCWQYFQQG-SNVBAGLBSA-N	332.426	-1.330	0	40	EAAB	
O=C(COCCO)NCCC[C@H](NC(=O)COCCO)C(=O)O	247382707	JQCKMVRQFWKLQV-JTQLQIEISA-N	336.341	-2.530	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	6878689	OCLNHSYBDBDUDP-UHFFFAOYSA-N	342.443	-2.013	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](NC(=S)Nc2cnc(O)nc2O)[C@@H](O)[C@H]1O	253499391	FYJOXXMQCPXOJZ-OLZYGLLZSA-N	348.337	-3.026	0	40	EAAB	biogenic
CS(=O)(=O)N1CCN(C(=O)c2cscn2)C[C@@H](C(N)=O)C1	257250077	JKXZIBIBVZPWIX-MRVPVSSYSA-N	332.407	-1.038	0	40	EAAB	
CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1=O	585107849	SCQLFBKUQPJNHD-GHMZBOCLSA-N	334.380	-1.176	0	40	EAAB	
CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(Cc3cnc[nH]3)C2)C1	604382601	UGSLCIBZZPBORO-CYBMUJFWSA-N	341.437	-1.060	0	40	EAAB	biogenic,in-vitro
CN(C)C(=O)CN1CCOC[C@]2(C1)CN(S(C)(=O)=O)CCO2	96076838	MBLFJTUXAIVTKY-ZDUSSCGKSA-N	335.426	-1.563	0	40	EAAB	
Cc1nn(C)cc1S(=O)(=O)N1C[C@@H](O)[C@H](N2CCN(C)CC2)C1	257230715	GDPNQOGNSBPTKW-CHWSQXEVSA-N	343.453	-1.290	0	40	EAAB	
O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CS(=O)(=O)C[C@H]1O	578378782	OVRLQKKHQRAYOE-GHMZBOCLSA-N	330.337	-1.170	0	40	EAAB	
COC(=O)c1cn(N[C@H]2CS(=O)(=O)C[C@H]2O)cc2c(O)nnc1-2	524735061	RUWUOORBLHTSIK-DTWKUNHWSA-N	342.333	-1.424	0	40	EAAB	
Cn1c(=O)c2cc(C(=O)NC3(c4nn[nH]n4)CC3)n(C)c2n(C)c1=O	569985095	KDXNVWVIRGJIRO-UHFFFAOYSA-N	344.335	-1.492	0	40	EAAB	
COC1=NC(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)=C(NC(C)=O)CN1C	5602221	RMKNVDKMSJYFMY-MWGHHZFTSA-N	330.341	-2.732	0	40	EAAB	
COc1ccc([C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](C)O)cc1	35465316	IBLFDTIZHJLTIF-JUNKZWDQSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
O=C(NC[C@H]1OC[C@@H](NCc2c[nH]cn2)[C@@H]1O)N1CCOCC1	77265042	XFEGDLWGHSIZJC-UPJWGTAASA-N	325.369	-1.331	0	40	EAAB	biogenic,in-vitro
COCCN1C(=O)CO[C@H]2CN(S(=O)(=O)c3cn[nH]c3)C[C@@H]21	257294516	QUNMOZYINPIGNJ-QWRGUYRKSA-N	330.366	-1.344	0	40	EAAB	
COCC(=O)N1C[C@@H]2OCCS(=O)(=O)N(CC(=O)N(C)C)[C@@H]2C1	1534645779	CBDMQGRQOULIEK-MNOVXSKESA-N	349.409	-2.038	0	40	EAAB	
N=C(N)NCCC[C](N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O	1560407573	SHEFZDKZDTVCLN-ZETCQYMHSA-N	345.336	-3.099	0	40	EAAB	
Nc1ncnc2[nH]c(S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)nc12	4824178	VHJCJYPMHZRSFT-IRPHGTLLSA-N	329.338	-2.173	0	40	EAAB	
COC(=O)NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	5807988	UXSFHFOZLWFQEN-MPXCPUAZSA-N	345.264	-3.356	0	40	EAAB	
Cc1nc2ccccc2c(=O)n1CCC(=O)NC(C(N)=O)C(N)=O	29782451	BLNGXUUNKSMHCZ-UHFFFAOYSA-N	331.332	-1.450	0	40	EAAB	
Cn1c(=O)c2c(nc(N3CCOCC3)n2C[C@H](O)CF)n(C)c1=O	13216875	NXGATSPLCSOVRH-SECBINFHSA-N	341.343	-1.399	0	40	EAAB	
NC(=O)C(NC(=O)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C(N)=O	53301712	KZPWRBAEBPLWBB-ZCFIWIBFSA-N	340.286	-1.227	0	40	EAAB	
Cc1ncncc1C(=O)N1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	257300726	RVLVFLHJVNXYQW-JTQLQIEISA-N	341.393	-1.396	0	40	EAAB	
CC(=O)N1CCN(CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1	23696072	ZVYDUHIDIINXAS-UHFFFAOYSA-N	334.380	-1.402	0	40	EAAB	
CCS(=O)(=O)NCC(=O)N1CCN(Cc2noc(C)n2)CC1	330538438	QWYDRFBTUGPWKL-UHFFFAOYSA-N	331.398	-1.038	0	40	EAAB	
CNC(=O)C[C@@H]1CN(C(=O)CN2CCN(C(C)C)CC2)C[C@@H]1O	1615085738	SMCGDYRJQHYJFE-KGLIPLIRSA-N	326.441	-1.032	0	40	EAAB	
O=C1N[C@H]2[C@H](c3cc4c(c(O)c31)OCO4)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O	8659508	VREZDOWOLGNDPW-QHCQNRKMSA-N	325.273	-2.226	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CN(C(=O)c2ccc(F)cc2)C[C@H]1O	257310417	UEZTWGVJPZNLNN-YPMHNXCESA-N	332.353	-1.077	0	40	EAAB	
CCC(=O)N[C@@H]1CO[C@H](Cn2cc(C)c(O)nc2=O)[C@@H](O)[C@H]1O	1615155216	OYXZODYIQCFIIL-PKZYVASSSA-N	327.337	-1.727	0	40	EAAB	
CN(C)C(=O)COc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)nn1C	57312638	XBIKPYRBIFMMIV-VIFPVBQESA-N	344.393	-1.196	0	40	EAAB	
O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1CO)[C@H]1[C@H]2C(=O)N(CO)C(=O)[C@@H]2[C@H]31	101237304	PCKOSQUZBKKIPS-KGQDQTHKSA-N	332.312	-1.850	0	40	EAAB	
CNC(=O)[C@@H]1CN(Cc2ccn(C)n2)CCN(S(C)(=O)=O)C1	257339729	ZCYIZZBPUMECEE-LLVKDONJSA-N	329.426	-1.141	0	40	EAAB	
Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@H](O)CO)n2CC(N)=O	2271594	JUBPTGCYPSNKLE-RXMQYKEDSA-N	329.338	-2.646	0	40	EAAB	
CC1(C)O[C@@H]2O[C@@H](C(=O)NCC(N)=O)[C@H]3OC(C)(C)O[C@H]3[C@H]2O1	5027512	ZNMJIWKPLYNJEA-FOKACVKASA-N	330.337	-1.016	0	40	EAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@H](O)[C@H](O)[C@H](O)CO)C2=O	19323113	DDFSYXNAYCTMRJ-RHTVDLJGSA-N	328.409	-1.606	0	40	EAAB	biogenic
COc1ccc([C@H](O)[C@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	35465325	JYWSARFDLXXOHT-IEDYCZKWSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
O=c1[nH]cc(NC(=S)N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	35878010	FYJOXXMQCPXOJZ-LYNCRYNASA-N	348.337	-3.851	0	40	EAAB	biogenic
COC(=O)[C@H]1O[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O	90513803	CLHFNXQWJBTGBL-CFDXXZMTSA-N	334.277	-1.328	0	40	EAAB	
CO[C@@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)O)[C@H](O)S(=O)(=O)O	5052356	DLJVRBPNTDBJJO-AZGQCCRYSA-N	326.301	-3.251	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	17353552	VEABMYFEYLXTSD-FJFJXFQQSA-N	329.338	-1.965	0	40	EAAB	
O=C1CN(CC(=O)N2CCO[C@@H](C(=O)NC3CCCC3)C2)CCN1	19750400	UYUURLSOJFFGCL-CYBMUJFWSA-N	338.408	-1.296	0	40	EAAB	
Nc1nc(N)c2c(n1)O[C@@]1(COCCN(C(=O)/C=C/C(=O)O)C1)C2	257232745	GMEYOGCJRWNADB-YUKKFKLSSA-N	335.320	-1.186	0	40	EAAB	
CN(CC(=O)N1C[C@@H](O)[C@H](NS(C)(=O)=O)C1)Cc1cccnc1	257301009	RWNIPVOBBXBFTL-CHWSQXEVSA-N	342.421	-1.366	0	40	EAAB	
CNC(=O)[C@@H]1CN(C)CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1	257319637	VTKUATKUZKVELN-SNVBAGLBSA-N	337.380	-2.166	0	40	EAAB	
Cn1c(=O)c2c(n(C)c1=O)n(CC(=O)N1CCCCC1)c(=O)n2C	87252	YIFJYISVSPXLJF-UHFFFAOYSA-N	335.364	-1.250	0	40	EAAB	
O=C(O)c1nn(-c2ccccc2-c2nnc(O)nc2O)c(=O)[nH]c1=O	8830787	IXKGNNQTJQVGKK-UHFFFAOYSA-N	344.243	-1.118	0	40	EAAB	in-vitro
O=c1[nH]cc(NC(=S)N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1	12657244	FYJOXXMQCPXOJZ-DJFHCUHBSA-N	348.337	-3.851	0	40	EAAB	
Nc1nc2c(ncn2[C@H]2C[C@@H](OP(=O)(O)O)[C@H](CO)O2)c(=O)[nH]1	4543684	QQMSZHORHNORLP-NGJCXOISSA-N	347.224	-1.541	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O	1076380930	HIWPGCMGAMJNRG-JGZVXCDNSA-N	342.297	-5.397	0	40	EAAB	
Cn1c(=O)c2[nH]c(SCC(=O)NCCCO)nc2n(C)c1=O	6413682	PKTMUFSXQYOREM-UHFFFAOYSA-N	327.366	-1.449	0	40	EAAB	
O=C(CCn1cc[nH]c(=O)c1=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1	84613311	SLXFVRHTFUQEFG-OLZOCXBDSA-N	336.392	-1.016	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@@H](O)[C@H]1O	106382961	DIOIKYCIVSLRPT-QKGCVVFFSA-N	325.317	-1.178	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1	11680913	XHCADAYNFIFUHF-WCDYYPSBSA-N	340.284	-1.323	0	40	EAAB	endogenous,in-man
C[C@@H](O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCCN)C(=O)O	34317955	LOGFVTREOLYCPF-WISYIIOYSA-N	344.412	-1.616	0	40	EAAB	
CS(=O)(=O)N1CCN(CC2(O)CCOCC2)C[C@H](C(N)=O)C1	257283429	OYHBFUHAMRKOKV-NSHDSACASA-N	335.426	-1.793	0	40	EAAB	
CS(=O)(=O)c1cccc(OCC(=O)NC(C(N)=O)C(N)=O)c1	51348798	VKZHLNBJUPEIFK-UHFFFAOYSA-N	329.334	-2.076	0	40	EAAB	
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O	6930996	ZUPSABSQBFCIOU-GQINOJKYSA-N	340.325	-3.716	0	40	EAAB	
CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)C[C@@H](C(N)=O)C1	257235408	GXRYUEBNCJBYLL-NSHDSACASA-N	334.398	-2.171	0	40	EAAB	
Cn1c(N)c(C(=O)COC(=O)CN2CCCC2=O)c(=O)n(C)c1=O	22467921	UOBRGTAHPPHEOC-UHFFFAOYSA-N	338.320	-1.986	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1OP(=O)(O)O	4513866	QDFHPFSBQFLLSW-PERBPWGJSA-N	347.224	-1.863	0	40	EAAB	
O=C(O)c1ccccc1C(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	4803790	BFMROEPNVMUGNL-QDWKJQELSA-N	327.289	-2.086	0	40	EAAB	
CN1CCC[C@@]1(C)C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586239	NKODZKNVPLQOLP-NYTXWWLZSA-N	327.425	-1.265	0	40	EAAB	
O=C(N[C@@H](CO)C(=O)O)c1cccc(C(=O)N[C@H](CO)C(=O)O)c1	5944152	CBXLSTDTEWONFD-AOOOYVTPSA-N	340.288	-1.963	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	3983873	ONFXBIPJPAWLNU-YTDXRRJTSA-N	337.336	-1.669	0	40	EAAB	biogenic
O=C(O)CNCCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O	34033067	SLIOGOFAZDOJQA-UHFFFAOYSA-N	335.313	-2.482	0	40	EAAB	
O=c1ccc2ccc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2o1	253524944	HOIXTKAYCMNVMY-UHVKOZFHSA-N	340.284	-1.323	0	40	EAAB	
O=C(O)CCC(=O)N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O	257236003	HAKSMXBQTUEXSX-QEJJIEOJSA-N	341.320	-1.645	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC1	35898066	GUXQSXRUBRLQFO-RCWTZXSCSA-N	332.378	-1.032	0	40	EAAB	
Cc1nn(C)cc1C(=O)N1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	257280101	OJLFANNHJQNQGA-SNVBAGLBSA-N	343.409	-1.453	0	40	EAAB	
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O	38792148	DLRVVLDZNNYCBX-URLJEOCPSA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cc1nccc(N2C[C@@H](O)[C@](O)(CNC(=O)c3cnccn3)C2)n1	257226613	FLIZUKUGECQXCS-DOMZBBRYSA-N	330.348	-1.083	0	40	EAAB	
O=C(O)CCC(=O)N[C@@H]1CC[C@@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O	257236004	HAKSMXBQTUEXSX-RRGXMBOYSA-N	341.320	-1.645	0	40	EAAB	
C[C@@]1(C(=O)N2CCC(C(N)=O)CC2)CN(S(C)(=O)=O)CCO1	257302246	SCCIIZFSXSJAGU-ZDUSSCGKSA-N	333.410	-1.239	0	40	EAAB	
O=c1nc(NC[C@@H]2CCCO2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5496483	APGXZLVKNYUQBH-VUNOGEHXSA-N	327.337	-1.554	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	71789704	SERLAGPUMNYUCK-YBOLEFIPSA-N	344.313	-5.761	0	40	EAAB	in-vitro
Nc1ncn([C@@H]2O[C@H](CO[P@](N)(=O)O)[C@@H](O)[C@H]2O)c2ncnc1-2	301054514	XXMJFALDJQNNLC-KQYNXXCUSA-N	346.240	-1.945	0	40	EAAB	
CN1C[C@]2(COCC1=O)CN(C(=O)c1ncn(C)n1)C[C@H]2N(C)C	1565549945	KOCNLWMPAJCEQM-IAQYHMDHSA-N	336.396	-1.324	0	40	EAAB	
CCS(=O)(=O)[C@H]1C(=O)N(C)[C@H](S(=O)(=O)CC)C(=O)N1C	17064430	AZPLFVZBLTWEMS-AOOOYVTPSA-N	326.396	-1.562	0	40	EAAB	
CC(=O)NCC(=O)N(C)[C@@H]1CC[C@@H](N2CCN(C(C)=O)CC2)[C@@H]1O	257318201	VMXSXGFLWKRQPT-IIAWOOMASA-N	340.424	-1.363	0	40	EAAB	
CNC(=O)[C@H]1CN(CC(=O)N2CCOCC2)CCN(C(C)=O)C1	257265070	LXFISJZQKBQRFW-ZDUSSCGKSA-N	326.397	-1.629	0	40	EAAB	
CC(=O)N1CCO[C@@](C)(C(=O)N2CCN(S(C)(=O)=O)CC2)C1	257316662	VGMVFJYNWHHFLT-CYBMUJFWSA-N	333.410	-1.272	0	40	EAAB	
NCCCC[C@@H](N)C(=O)N1C[C@H](O)[C@@H](n2ccc(O)nc2=O)C1	2037819085	ILQZSTNOTOBSSW-VWYCJHECSA-N	325.369	-1.851	0	40	EAAB	
COc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	5713003	BVQSERHIUBPCKW-GPUHXXMPSA-N	329.309	-2.158	0	40	EAAB	
CC1(C)O[C@@H]2[C@H](CS(C)(=O)=O)O[C@H](n3ncc(=O)[nH]c3=O)[C@@H]2O1	6015234	WJOLFGCXPCLESC-ZQNVIIHSSA-N	347.349	-1.606	0	40	EAAB	
Cn1c(=O)c2c(ncn2CC(=O)N[C@@H]2CCCCNC2=O)n(C)c1=O	40513572	VOJOVQDNTZUOQQ-SECBINFHSA-N	348.363	-1.781	0	40	EAAB	
OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	605694929	DLRVVLDZNNYCBX-IDSYXWTBSA-N	342.297	-5.397	0	40	EAAB	in-vitro
COCCNC(=O)C[C@@H]1O[C@H](CNCc2ccccn2)[C@@H](O)[C@H]1O	15675192	NTBGUFDHGRIJSF-LQKXBSAESA-N	339.392	-1.187	0	40	EAAB	biogenic,in-vitro
NCCC(=O)N1CCOC[C@](O)(CNC(=O)c2cscn2)C1	257226799	FMFXWDBVJCPKQP-ZDUSSCGKSA-N	328.394	-1.188	0	40	EAAB	
S=C1NCCOCCNC(=S)NCCOCCOCCN1	3897369	FTQHNODWKFDQFK-UHFFFAOYSA-N	336.483	-1.022	0	40	EAAB	
CC(C)OC[C@H](O)Cn1c(NCCO)nc2c1c(=O)[nH]c(=O)n2C	4949898	IZZWRUXRAAARTR-SECBINFHSA-N	341.368	-1.387	0	40	EAAB	
COC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	1576093	WMKCPTRURVRKRM-VXGBXAGGSA-N	340.332	-1.076	0	40	EAAB	
Cn1c(NC(=O)c2cc(N3CCOCC3)ncn2)cc(=O)n(C)c1=O	244969163	HCCGBJOFKWUOMP-UHFFFAOYSA-N	346.347	-1.037	0	40	EAAB	
O=c1nc(N2CCSCC2)ccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5496899	ZSOPROSVGHGXAS-IELRGYKMSA-N	329.378	-1.592	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	62725230	AVCNXSQPUQMVNJ-QNSTZXKLSA-N	340.332	-1.260	0	40	EAAB	
O=S1(=O)C[C@@H]2NC(=S)N(c3nc(O)c4nc[nH]c4n3)[C@H]2C1	575422496	NBQRBMIUKHXNAA-WHFBIAKZSA-N	326.363	-1.081	0	40	EAAB	
CNC(=O)NC(=O)[C@H](C)N1CCN(S(=O)(=O)N2CCCC2)CC1	32777705	DDEZWDANMJJMDR-NSHDSACASA-N	347.441	-1.211	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccc(C(=O)O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O	242750758	ZZGOODZEYMETHT-WPLOAARJSA-N	341.316	-1.293	0	40	EAAB	
C[C@H](NC(=O)[C@H](O)C[C@H](N)C(=O)O)C(=O)[C@H]1[C@H]2C(=O)CCC[C@H]21	1772591591	HLFBOKDRNZMEAJ-SEXUGNRISA-N	326.349	-1.162	0	40	EAAB	
Cn1ncc(NC(=O)C(=O)NCCCN2CCCC2=O)c1C(N)=O	13684674	RPJDOZJONLNQJS-UHFFFAOYSA-N	336.352	-1.414	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	216303595	ZZGOODZEYMETHT-VVSAWPALSA-N	341.316	-1.293	0	40	EAAB	
OC[C@H]1O[C@H](O[C@H]2OC=C[C@H]3[C@@H](O)C[C@@H](CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	245224234	SXPWHBXTTWFWMH-IFNVXVQJSA-N	348.348	-2.722	0	40	EAAB	
NC(=O)CCN1CCC(C(=O)N2CC[C@H]3OCC(=O)N[C@H]3C2)CC1	257217452	CZACLOIGJCJNLA-QWHCGFSZSA-N	338.408	-1.310	0	40	EAAB	
NC(=O)c1ccc[n+]([C@@H]2O[C@H](CCP(=O)(O)O)[C@@H](O)[C@H]2O)c1	1776011316	IOOURWTZJPMTJA-DNRKLUKYSA-O	333.257	-1.740	0	40	EAAB	
CC1(C)O[C@H]2[C@H](O1)[C@H]1OC(C)(C)O[C@@H]1O[C@H]2C(=O)NCC(N)=O	5027513	ZNMJIWKPLYNJEA-YOQJGNTNSA-N	330.337	-1.016	0	40	EAAB	
COCCn1c(SC[C@H](O)CO)nc2c1c(=O)[nH]c(=O)n2C	7319096	BJWIJNJAQIYBOQ-SSDOTTSWSA-N	330.366	-1.485	0	40	EAAB	
CCN1C[C@@H](C)[C@@H](NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	107059025	LUBHGSHQJCXRNY-ZJUUUORDSA-N	330.410	-1.298	0	40	EAAB	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)Cn2cnnn2)cc1	3334468	TYYZEVDHCXFEMS-UHFFFAOYSA-N	340.321	-1.498	0	40	EAAB	
Cn1c(N)nc2c([nH]c(=O)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1=S	5030523	COFAYHUVZNKQBC-CMFQWLGBSA-N	329.338	-2.014	0	40	EAAB	
CCOC[C@@H](O)CN1CCN(C(=O)CN2CCCS2(=O)=O)CC1	69902436	IHERFWGWDWXHHH-ZDUSSCGKSA-N	349.453	-1.437	0	40	EAAB	
O=C(O)CCc1cccc(O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	225458560	APQFDHZCDLNMLA-APACUCGBSA-N	344.316	-1.412	0	40	EAAB	biogenic,in-vitro
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(Cl)c(=O)[nH]1	5544936	YTUQCKKNKXPLCM-NUPWSADLSA-N	337.716	-2.356	0	40	EAAB	
CC[C@]1(C)NC(=O)N(NC(=O)CNC[C@H]2CN(C)CCO2)C1=O	72267965	HAHDQNGCVWSEPB-HZMBPMFUSA-N	327.385	-1.342	0	40	EAAB	
N[C@@H](Cc1ccccc1)C(=O)OCC(=O)[C@@H](O)[C@H](O)[C@H](O)CO	199197855	FDZFZPTVUGVYOJ-OIMNJJJWSA-N	327.333	-2.256	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)c2cscn2)C[C@H]1O	257319794	VUAZRLNOMHXGSF-MWLCHTKSSA-N	335.407	-1.370	0	40	EAAB	
Nc1nc(NCC(=O)O)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	4919407	XYLOQYGJWSRLAS-HPUXTKQPSA-N	340.296	-2.484	0	40	EAAB	
COc1cc(C(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)ccn1	643913083	VEHVXZOYJIVFQX-NFAWXSAZSA-N	337.376	-1.031	0	40	EAAB	
Cc1cn2c(=O)c3ncn([C@@H]4O[C@@H](CO)[C@@H](O)[C@H]4O)c3n(C)c2n1	5504169	JCZSFCLRSONYLH-OJPPFWEXSA-N	335.320	-1.697	0	40	EAAB	
CCNC(=O)N[C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCN(C(C)=O)CC2)[C@H]1O	12483152	QKIZVQMAOZORGM-XGFWRYKXSA-N	342.396	-1.677	0	40	EAAB	biogenic,in-vitro
O=C(NC[C@@]1(O)COCCN(C(=O)c2ncc[nH]2)C1)c1cc[nH]n1	257201757	AIXXZYYVYZUCPB-AWEZNQCLSA-N	334.336	-1.234	0	40	EAAB	
CCS(=O)(=O)C([C@@H](O)[C@@H](O)[C@H](O)[C@@H](C)O)S(=O)(=O)CC	5437761	GAYPCIYXXTVAMZ-HXFLIBJXSA-N	334.412	-2.355	0	40	EAAB	in-vitro
COC(=O)C[C@@]1(C(=O)OC)[C@H](C(=O)OC)C(C(=O)OC)=NN1C	8648318	CMGAWVNCYYGOLB-SDBXPKJASA-N	330.293	-1.275	0	40	EAAB	
O=C(O)/C=C\c1ccccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	13540313	GVRIYIMNJGULCZ-QLFWQTQQSA-N	326.301	-1.037	0	40	EAAB	biogenic,in-man
COc1ccc([C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](C)O)cc1	35465308	IBLFDTIZHJLTIF-HGSWFABESA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
Cn1nccc1C(=O)N1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	257252813	JWFAHMHYVZMJGU-SECBINFHSA-N	329.382	-1.761	0	40	EAAB	
CC[C@@H](C(N)=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	69982756	FNMOLDWOXJGOJI-LBPRGKRZSA-N	333.458	-1.640	0	40	EAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NS(C)(=O)=O)C[C@H]2CN1C(C)C	2332242115	HHNWRJWKWKTUMJ-AVGNSLFASA-N	346.453	-1.266	0	40	EAAB	
O=C(COP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O	4523251	XPYBSIWDXQFNMH-ZXEDONINSA-N	340.114	-3.143	0	40	EAAB	
CC(C)CS[C@H]([C@H](O)[C@H](O)[C@H](O)CO)n1ccc(N)nc1=O	5191225	BOCWEHLPQIUFCU-HJQYOEGKSA-N	333.410	-1.212	0	40	EAAB	
Cn1c(NC[C@H](O)CN2CCCC2=O)nc2c1c(=O)[nH]c(=O)n2C	71841017	YDPAVMXBRZPWNM-QMMMGPOBSA-N	336.352	-1.645	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccccc2C(=O)O)O[C@H](CO)[C@H](O)[C@@H]1O	31703896	CPWDQTVVDKAHLL-KDBYPZKRSA-N	341.316	-1.293	0	40	EAAB	
OC[C@@H]1C[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	245224235	SXPWHBXTTWFWMH-QGNATBFISA-N	348.348	-2.722	0	40	EAAB	
CN(C)C[C@@]1(O)CCCN(C(=O)CN2CCN(CCO)CC2)CC1	257230399	GCDYICMGGOTJPI-QGZVFWFLSA-N	342.484	-1.099	0	40	EAAB	
O=C(COP(=O)(O)O)[C@@H](O)/C(O)=C(\O)COP(=O)(O)O	1560408777	IMKSBFVKSAUSPL-YWSOBTQUSA-N	338.098	-1.537	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)c1nc2ccccc2[nH]1	4715034	VCZJPYKFMQAPIN-WXCVZDNMSA-N	328.321	-2.607	0	40	EAAB	
COCCn1c(SC[C@@H](O)CO)nc2c1c(=O)[nH]c(=O)n2C	7319102	BJWIJNJAQIYBOQ-ZETCQYMHSA-N	330.366	-1.485	0	40	EAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19321826	DDFSYXNAYCTMRJ-IUZMLPDWSA-N	328.409	-1.606	0	40	EAAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)[C@H]1O	39945502	ZQLBHQSQMQLFBM-HUXGKSLCSA-N	348.304	-1.551	0	40	EAAB	
COCCC(=O)N1CC[C@@](O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1	1040614201	VKASHUJJRLXKHL-XHDPSFHLSA-N	327.381	-1.419	0	40	EAAB	
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c1	12503278	DAYLJWODMCOQEW-SDNRWEOFSA-O	335.229	-2.199	0	40	EAAB	in-vitro
COc1cc(CO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O	253532335	VZSGMNVXQXYFPI-DJIJKHNZSA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)C2CCOCC2)C[C@@H](C(N)=O)C1	257221657	DQAFQRWVOTZABN-LLVKDONJSA-N	333.410	-1.382	0	40	EAAB	
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	5713009	YNVFTKSNADSCEO-PNHWDRBUSA-N	345.377	-1.444	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCN1C(C)=O	257295689	QZMAKBBUQVYVAE-LBPRGKRZSA-N	334.380	-1.039	0	40	EAAB	
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncn3ccnc3c12	4771509	YHUUEZKVMQVPHH-MWMDWWONSA-N	333.304	-1.606	0	40	EAAB	
NC(=O)C(C(N)=O)([C@H]1C=CS(=O)(=O)C1)[C@H]1C=CS(=O)(=O)C1	5185599	UEDWDTYHGUDMMG-YUMQZZPRSA-N	334.375	-1.940	0	40	EAAB	
CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1	5459620	HGZHVJNFOJDDEZ-UHFFFAOYSA-N	349.395	-1.939	0	40	EAAB	
CNC(=O)[C@H]1COC2(CN1C)CN(S(=O)(=O)c1cn(C)cn1)C2	248097366	YVCYTFWJLMGIKO-SNVBAGLBSA-N	343.409	-1.760	0	40	EAAB	
Nc1ncnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5389855	OGYZRURWGBYRSZ-YTDXRRJTSA-N	336.352	-1.380	0	40	EAAB	
CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCNC(=O)C1)C2=O	14121013	AJWZDLPHXACIGH-UHFFFAOYSA-N	337.380	-1.050	0	40	EAAB	
CC(=O)N1C2C3N(C(C)=O)[C@@H]4N[C@@H]1[C@@H](N[C@@H]4N3C(C)=O)N2C(C)=O	33692493	HVYHGOIMTRVUCH-MDEYVFOQSA-N	336.352	-2.429	0	40	EAAB	
C[C@H]1C[C@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1	69950839	YVQOFOIWNLAQEM-STQMWFEESA-N	346.453	-1.200	0	40	EAAB	
Cc1cccc(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)n1	257299744	RRJKNMJRWPTMEC-TZMCWYRMSA-N	343.405	-1.123	0	40	EAAB	
Cn1c(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc(=O)n(C)c1=O	11301595	AQHKHRNDGFWAMQ-UHFFFAOYSA-N	332.320	-2.121	0	40	EAAB	
Cc1cc(=O)n2nc(CC(=O)N[C@@H]3CCS(=O)(=O)C3)nc2[nH]1	9305610	OWGNSTKUXSJBFW-MRVPVSSYSA-N	325.350	-1.428	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@H](O)[C@@H]1O	39945925	GUBGYTABKSRVRQ-CNGPGQTHSA-N	342.297	-5.397	0	40	EAAB	in-man
NC(=O)C(NC(=O)NC[C@H]([C@H]1CCOC1)N1CCOCC1)C(N)=O	45440614	OPFXCGXEZBOMAC-VHSXEESVSA-N	343.384	-2.638	0	40	EAAB	
CS(=O)(=O)N1CC(C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)C1	70817821	GPEBMIQLSOHSQQ-LBPRGKRZSA-N	345.421	-1.272	0	40	EAAB	
C[C@@]1(F)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O	96903642	JAJZLQMRDFLNSW-VPCXQMTMSA-N	340.200	-1.368	0	40	EAAB	in-vitro
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	3977897	UDMBCSSLTHHNCD-CRKDRTNXSA-N	347.224	-1.863	0	40	EAAB	in-man
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)NCC(=O)O)cc1	1729831	SXCZARVBJXUPLE-UHFFFAOYSA-N	343.361	-1.410	0	40	EAAB	
O=c1nc(NC[C@H]2CCCO2)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5496486	APGXZLVKNYUQBH-NJIBTWPXSA-N	327.337	-1.554	0	40	EAAB	
O=CN(CCO[C@@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	217395336	MLEMKARNKMEHQD-WDEREUQCSA-N	325.408	-1.164	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	253475981	CPWDQTVVDKAHLL-WPLOAARJSA-N	341.316	-1.293	0	40	EAAB	
CNC(=O)[C@H]1CN(C)CCN(C(=O)c2cc(=O)n(C)c(=O)n2C)C1	257319636	VTKUATKUZKVELN-JTQLQIEISA-N	337.380	-2.166	0	40	EAAB	
OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O	104867082	CZMRCDWAGMRECN-YVLHYAFWSA-N	342.297	-5.396	0	40	EAAB	biogenic,in-vitro
C/C(=C\CO)CC/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31162994	QZIOPOIUZGGXKI-KOYXEPTDSA-N	346.376	-1.005	0	40	EAAB	biogenic,in-vitro
CC(C)C(=O)NC[C@H]1C(=O)N2C[C@@H](NS(C)(=O)=O)C[C@H]2CN1C	2332242169	NBOYDNBEFNJNNI-SRVKXCTJSA-N	346.453	-1.409	0	40	EAAB	
O=S1(=O)CC[C@@H](S(=O)(=O)NCCCN2CCOCC2)C1	19912228	FXGUKHWPSBWIOQ-LLVKDONJSA-N	326.440	-1.185	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1Nc1ccc(C(=O)O)cc1	242400351	AVCNXSQPUQMVNJ-IKOXMDCHSA-N	340.332	-1.260	0	40	EAAB	
OC[C@@H]1O[C@](CO)(NNC(=S)Nc2ccccc2)[C@@H](O)[C@H]1O	253570910	OFZZPKSOLKXBRK-ZPFDUUQYSA-N	329.378	-1.721	0	40	EAAB	
Nc1ncnc2[nH]c(S[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)nc12	4824179	VHJCJYPMHZRSFT-AVIDFEGHSA-N	329.338	-2.173	0	40	EAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O	19323121	DDFSYXNAYCTMRJ-HUXJUVPMSA-N	328.409	-1.606	0	40	EAAB	
CN1CCC[C@@H](N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	95961877	QLCJOXKVLVRRGK-SNVBAGLBSA-N	330.410	-1.201	0	40	EAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)[nH]1	8655925	VZOSVGAXSLLDML-DALOQIEPSA-N	334.354	-2.714	0	40	EAAB	
COCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	12318028	AWXXUJPQAZFVOC-QRKAXHLRSA-N	340.340	-1.922	0	40	EAAB	biogenic
O=C1CCCN1CCCN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CNC2)C1=O	225395150	YXAUPNACGNBNLG-NEPJUHHUSA-N	336.392	-1.855	0	40	EAAB	biogenic,in-vitro
CNc1ncnc2c1c(C(N)=S)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4972461	ZOVALKSFKRAHGU-VPFIQFBESA-N	339.377	-1.281	0	40	EAAB	
Cn1nnc([C@H](O)CN2CCN(C[C@@H](O)c3nnn(C)n3)CC2)n1	22035549	HCYDERIELJCZNX-NXEZZACHSA-N	338.376	-2.882	0	40	EAAB	
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	64219261	DLRVVLDZNNYCBX-RXMBXNFDSA-N	342.297	-5.397	0	40	EAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19323116	DDFSYXNAYCTMRJ-KSJDIHKRSA-N	328.409	-1.606	0	40	EAAB	
OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	605694930	DLRVVLDZNNYCBX-KWDFFSATSA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cn1c(=O)[nH]c(=O)c2c1nc(SC[C@@H](O)CO)n2CC(N)=O	2271595	JUBPTGCYPSNKLE-YFKPBYRVSA-N	329.338	-2.646	0	40	EAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CF)[C@@H](O)[C@H]2O)cc1N1CCOCC1	5496720	SLCFSGJZGPHBGV-XNDJQWLSSA-N	331.300	-2.038	0	40	EAAB	
O=C1[C@@H]2[C@H]3C=C[C@@H]([C@H]2C(=O)N1CO)[C@@H]1[C@H]3[C@H]2C(=O)N(CO)C(=O)[C@@H]21	5520102	PCKOSQUZBKKIPS-HGERKYINSA-N	332.312	-1.850	0	40	EAAB	
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1	40465856	DAYLJWODMCOQEW-UYAYMFIHSA-O	335.229	-2.199	0	40	EAAB	in-vitro
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	101411483	GUBGYTABKSRVRQ-ONIRZYQWSA-N	342.297	-5.397	0	40	EAAB	endogenous,in-man
NC(=O)C[C@H](NC(=O)COCCO)C(=O)OCCOCC(=O)O	2060999751	BODZGKZPNGCZMG-QMMMGPOBSA-N	336.297	-3.000	0	40	EAAB	
COC(=O)N1CCN(CCNC(=O)CSc2nnnn2C)CC1	42383555	YXXROORHWVQASS-UHFFFAOYSA-N	343.413	-1.198	0	40	EAAB	
CS(=O)(=O)c1ccc(NC(=O)C2C(=O)NC(=O)NC2=O)cn1	100738983	ORGBPPDXSWGBCI-UHFFFAOYSA-N	326.290	-1.594	0	40	EAAB	
Cn1c(=O)n(C)c(=O)n(CC(=O)Nc2ccc3c(c2)OCO3)c1=O	15083723	NTMTUBNTTBCHHP-UHFFFAOYSA-N	334.288	-1.387	0	40	EAAB	
C[C@H](CN1CCOCC1)NC(=O)Cn1cnc2c(cnn2C)c1=O	48237290	HWYVKNGCNJVYRZ-LLVKDONJSA-N	334.380	-1.033	0	40	EAAB	
CNC(=O)[C@@H]1COC2(CN1CC1CC1)CN(S(=O)(=O)N(C)C)C2	247959539	PXJJLRWDZOMVAU-LBPRGKRZSA-N	346.453	-1.296	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	4104805	YWJXCIXBAKGUKZ-CBKJRJJYSA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
OC[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	8762125	LSRAJKPAPWYOQO-OFGVQTFVSA-N	344.313	-5.761	0	40	EAAB	biogenic
C[C@@H](CO)Oc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	77300686	DPRKTPGJARCDPS-RBXMUDONSA-N	325.325	-1.191	0	40	EAAB	
O=c1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)cc2o1	3894276	XHCADAYNFIFUHF-NBRWMIFNSA-N	340.284	-1.323	0	40	EAAB	biogenic,in-man
CS(=O)(=O)NCCNC(=O)C1CCN(S(C)(=O)=O)CC1	29684343	PACJCVGQWPAPTF-UHFFFAOYSA-N	327.428	-1.677	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccc(C(=O)O)cc1	62725181	ZZGOODZEYMETHT-PFFFPCNUSA-N	341.316	-1.293	0	40	EAAB	
Cc1cc(C)c(Cn2c(=O)[nH][nH]c2=O)cc1Cn1c(=O)[nH][nH]c1=O	1571948	GKZQIXGFFCXKKF-UHFFFAOYSA-N	332.320	-1.244	0	40	EAAB	
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C	5760132	ZBDWYFKHLXPCPQ-FNBUAPEOSA-N	345.308	-3.187	0	40	EAAB	
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C	5760134	ZBDWYFKHLXPCPQ-UFFKNHFXSA-N	345.308	-3.187	0	40	EAAB	
CC(=O)N1C2C3N(C(C)=O)[C@@H]4N[C@@H]1[C@@H](N[C@H]4N3C(C)=O)N2C(C)=O	101421827	HVYHGOIMTRVUCH-JGSSPKSQSA-N	336.352	-2.429	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CCN2CCCC2)C[C@@H](C(N)=O)C1	257323382	WJXWRYBKKGBURV-GFCCVEGCSA-N	346.453	-1.322	0	40	EAAB	
COC(=O)[C@]1(OC)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1	44169866	JKTJXQQVMKZKQA-GRRZBWEESA-N	337.325	-3.129	0	40	EAAB	in-vitro
Nc1cnn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@H](O)[C@@H]2O)c(=O)n1	54979043	JXXIHCTVRGEYLX-XYJRDEOASA-N	348.315	-1.303	0	40	EAAB	
CNC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C(=O)NC	9349802	FGYOREMPAKONCG-YSYKAXILSA-N	344.324	-3.425	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5201837	KXONZRPGKNOGCG-UZXKZQATSA-N	345.345	-6.552	0	40	EAAB	
CSc1nc2c(ncn2[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5812913	UJFIYPFEIVGXBG-ICQCTTRCSA-N	328.350	-1.537	0	40	EAAB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1N1C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C1=O	100643696	ACOHYWQXMGRSAG-TVBNVHSDSA-N	328.280	-1.222	0	40	EAAB	
COCCn1c(N)c(C(=O)CSc2ncn[nH]2)c(=O)[nH]c1=O	22066991	JMAWBOIIFXIUAY-UHFFFAOYSA-N	326.338	-1.142	0	40	EAAB	
CCCNC(=O)NC(=O)CN1CCC[C@H](CNS(N)(=O)=O)C1	69665939	MBWOGUOGRLNHAV-SNVBAGLBSA-N	335.430	-1.273	0	40	EAAB	
O=S(=O)(N1CCOCC1)N1CC[C@](O)(CN2CCOCC2)C1	257211597	BZMGEAHFLASNQZ-ZDUSSCGKSA-N	335.426	-1.668	0	40	EAAB	
Cn1cccc1C(=O)N1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	257317253	VIZDRPOARVWWRU-JTQLQIEISA-N	328.394	-1.156	0	40	EAAB	
O=C1CN(C[C@@]2(O)CN(C(=O)Cc3ccccc3)CC[C@@H]2O)CCN1	585283030	ARYHFPUEKJXMJU-MAUKXSAKSA-N	347.415	-1.015	0	40	EAAB	
Cc1nnc2n1C[C@@H](NC(=O)CN1CCS(=O)(=O)CC1)CC2	97198862	JQLOMTWPWHNXOE-NSHDSACASA-N	327.410	-1.252	0	40	EAAB	
CCCNC(=O)N[C@@H]1C=C(C(=O)N[C@H](C)C(N)=O)C[C@@H](O)[C@@H]1O	3838768	LNSVVUSKUYSMGY-QCNRFFRDSA-N	328.369	-1.894	0	40	EAAB	biogenic,in-vitro
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@H](O)[C@H]1O	12890045	VIZPZFFVVXGXQO-LECHCGJUSA-N	326.087	-3.028	0	40	EAAB	biogenic
O=c1[nH]c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1N1CCOCC1	4896189	WPLWAMWABWXDPR-WYFGTUCQSA-N	329.309	-3.015	0	40	EAAB	
Cn1c(N)c(C(=O)CN2CCN(C(=O)C3CC3)CC2)c(=O)n(C)c1=O	24592622	RXUZALHUOJYGOF-UHFFFAOYSA-N	349.391	-1.597	0	40	EAAB	
Cn1c(=O)c2ccc(C(=O)NCCN3CCOCC3)nc2n(C)c1=O	40498511	SYSVVELWKUNOKJ-UHFFFAOYSA-N	347.375	-1.306	0	40	EAAB	
Cn1nc2c(cc1=O)CN(CC(=O)N[C@H]1CCCCNC1=O)CC2	72302412	GKHZZSWLXDFVHR-ZDUSSCGKSA-N	333.392	-1.077	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CSc2nc(N)cc(N)n2)CC1	9338751	STMBNSPUXIZLNK-UHFFFAOYSA-N	346.438	-1.163	0	40	EAAB	
C[C@]1(CO)O[C@@](C)(n2cnc3c(N)nc(N)nc32)[C@](C)(O)[C@@]1(C)O	12358655	VQFFXQYSVFFNFX-XJFOESAGSA-N	338.368	-1.053	0	40	EAAB	
CC(=O)N1CCN(C(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)CC1	65609306	ATRRLWGKJINESE-UHFFFAOYSA-N	348.363	-1.876	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(C2CCOCC2)C[C@@H](C(N)=O)C1	257325851	WUSLGSUSVHFQHO-LLVKDONJSA-N	334.442	-1.309	0	40	EAAB	
CCOCC(=O)N1CC2(C1)CN(C)[C@@H](C(=O)NCCOC)CO2	575403945	JDGVUCYZHLWKLH-GFCCVEGCSA-N	329.397	-1.303	0	40	EAAB	
CN(C)C/C=C/C(=O)N1CC[C@@H](O)[C@@H](O)[C@H](N2CCOCC2)C1	585290647	ZJIXFHHLZKAGSD-RBUHOSLGSA-N	327.425	-1.241	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)c2ccccn2)C[C@@H](C(N)=O)C1	257265456	LYTFHCOULQTOPR-SNVBAGLBSA-N	326.378	-1.100	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)C2(N)CCCC2)CCN(S(C)(=O)=O)C1	585182329	MZVGECFDRLWXIF-LLVKDONJSA-N	346.453	-1.276	0	40	EAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)n1C	5812895	VJRRURAMNHFZBJ-HPBSYMDFSA-N	348.381	-2.704	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	39945926	GUBGYTABKSRVRQ-ZVOZEMFJSA-N	342.297	-5.397	0	40	EAAB	in-man
NC(=O)C(NC(=O)NCc1ccc(CN2CCOCC2)cc1)C(N)=O	46888849	IQXHPCSURDTOFV-UHFFFAOYSA-N	349.391	-1.343	0	40	EAAB	
O=C1CN(C(=O)CS(=O)(=O)Cc2nnnn2C2CC2)CCN1	65393972	NGMJUQLONHUDOG-UHFFFAOYSA-N	328.354	-2.119	0	40	EAAB	
CN(C)Cc1cn(C[C@H]2C[C@@H](NS(C)(=O)=O)[C@H](O)[C@@H]2O)nn1	225510126	RRYUOAVVDMBKAL-HKWIRBFKSA-N	333.414	-2.001	0	40	EAAB	biogenic,in-vitro
NC(=O)[C@H]1CC(C(=O)NCCS(N)(=O)=O)=NN1c1ccccc1	56862812	OPGPCNUAIHSGIH-LLVKDONJSA-N	339.377	-1.489	0	40	EAAB	
OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	64219340	SERLAGPUMNYUCK-PWULBXLISA-N	344.313	-5.761	0	40	EAAB	
COc1ccc([C@H](O)[C@@H](C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	253529649	JYWSARFDLXXOHT-DIPTVZINSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
COC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1	1576094	WMKCPTRURVRKRM-NEPJUHHUSA-N	340.332	-1.076	0	40	EAAB	
CSc1nc2c(ncn2[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5812911	UJFIYPFEIVGXBG-GIDNPQMSSA-N	328.350	-1.537	0	40	EAAB	
CN1C(=O)c2ccc(S(=O)(=O)NCCn3ncnn3)cc2C1=O	79108240	CXSJHOCFQJZJRJ-UHFFFAOYSA-N	336.333	-1.123	0	40	EAAB	
COc1ccc(S(=O)(=O)N2C[C@@H](O)[C@](O)(CNC(C)=O)C2)cc1	1848356292	DZMICMBCWCLJOS-KGLIPLIRSA-N	344.389	-1.072	0	40	EAAB	
CNc1ncnc2c1ncn2[C@@H]1CC[C@@H](NC(=O)CCN)[C@@H](O)[C@@H]1O	257223622	DYEMSUSWYKVSCP-NRMKKVEVSA-N	349.395	-1.242	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)Cn2cccn2)CCN(S(C)(=O)=O)C1	257333238	YAUBBAWWVUBTGE-NSHDSACASA-N	343.409	-1.651	0	40	EAAB	
Cc1cc(C)n(-c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C)n1	12231405	FPLCPXIBNYHTQR-UHFFFAOYSA-N	331.336	-1.278	0	40	EAAB	
CS(=O)(=O)N1CCN(CCNC(=O)c2ccc[nH]c2=O)CC1	44226850	GCJUIRGBXVGJKB-UHFFFAOYSA-N	328.394	-1.318	0	40	EAAB	
COc1ccc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cn1	257326587	WXTNNOPVXPUJMZ-MFKMUULPSA-N	345.377	-1.813	0	40	EAAB	
O=c1cnn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	4705964	LRVZOSYMNMNQFR-HTPUFBNKSA-N	325.170	-3.340	0	40	EAAB	
CC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	4800376	ZQLBHQSQMQLFBM-LRRLDJKKSA-N	348.304	-1.551	0	40	EAAB	
CCOC(=N)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2[nH]cnc(=O)c12	5883981	RZNWRPUNGJQKSM-MWMDWWONSA-N	338.320	-1.302	0	40	EAAB	
NC(=O)C(NC(=O)Cn1nnn(-c2cccs2)c1=O)C(N)=O	71796263	YAGMQPNDVGIGDN-UHFFFAOYSA-N	325.310	-3.054	0	40	EAAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1C[C@@H]1C(=O)OC	72296331	PAMFBCKUFAPQLG-MXWKQRLJSA-N	346.405	-1.053	0	40	EAAB	
Cn1cnc(S(=O)(=O)N2CC[C@@](O)(CN3CCOCC3)C2)c1	257248251	JCVDFXJJEZXDBY-CYBMUJFWSA-N	330.410	-1.122	0	40	EAAB	
OC[C@@H]1O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)[C@@H](O)[C@@H]1O	4159271	BTFFXIPHHREHCW-WQURNTSKSA-N	337.336	-1.726	0	40	EAAB	
C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCC(=O)N1)C(=O)O	4899658	VIPNGHPLCAMVEB-FXQIFTODSA-N	328.325	-2.395	0	40	EAAB	biogenic
C[C@@H](CN1CCOCC1)NC(=O)Cn1cnc2c(cnn2C)c1=O	48237288	HWYVKNGCNJVYRZ-NSHDSACASA-N	334.380	-1.033	0	40	EAAB	
C[C@H](O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCCN)C(=O)O	34317954	LOGFVTREOLYCPF-WHOHXGKFSA-N	344.412	-1.616	0	40	EAAB	
O=C(CCn1ccc(=O)[nH]c1=O)Nc1cc(-n2cncn2)ncn1	96098007	VUNQGCDYDPNYEP-UHFFFAOYSA-N	328.292	-1.064	0	40	EAAB	
CSCC[C@@H](NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)O	4530273	IJIGIXPOPAELGH-OKNNCHMLSA-N	327.355	-3.255	0	40	EAAB	
O=C1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CCN1	23420657	RJFGNQTXPLEPIZ-UHFFFAOYSA-N	342.377	-1.392	0	40	EAAB	
COC(=O)[C@H]1CCCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	27560885	GAXVZUPXWTYPPV-SECBINFHSA-N	338.364	-1.124	0	40	EAAB	
OC[C@H]1O[C@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O	33821316	GUBGYTABKSRVRQ-IBLCYFAMSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C(NC[C@]1(O)COCCN(C(=O)c2ncc[nH]2)C1)c1cc[nH]n1	257201758	AIXXZYYVYZUCPB-CQSZACIVSA-N	334.336	-1.234	0	40	EAAB	
CNC(=O)C1(N=c2ccn(C)[nH]2)CCN(S(=O)(=O)N(C)C)CC1	2055746139	PYNIYBJYOJSUNJ-UHFFFAOYSA-N	344.441	-1.359	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(O)O[C@H]2[C@H]1O	4095503	DMJWGQPYNRPLGA-KQYNXXCUSA-N	330.193	-1.106	0	40	EAAB	in-vitro,metabolite
O=C(N[C@@H](CO)C(=O)O)c1cccc(C(=O)N[C@@H](CO)C(=O)O)c1	5944151	CBXLSTDTEWONFD-UWVGGRQHSA-N	340.288	-1.963	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	43505220	GUBGYTABKSRVRQ-BPUYHBCVSA-N	342.297	-5.397	0	40	EAAB	
Cc1cn2c(=O)c3ncn([C@H]4O[C@@H](CO)[C@@H](O)[C@H]4O)c3n(C)c2n1	5504167	JCZSFCLRSONYLH-YTDXRRJTSA-N	335.320	-1.697	0	40	EAAB	
COc1cc(CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O	247915323	VZSGMNVXQXYFPI-MYBUGEPTSA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
CNC(=O)[C@@H]1CN(C(=O)c2cnccn2)CCN(S(C)(=O)=O)C1	607854040	SMXATOKNKOXWKZ-SNVBAGLBSA-N	341.393	-1.444	0	40	EAAB	
COCCN(CC(N)=O)S(=O)(=O)c1cccc(-n2cnnn2)c1	58282834	CNNZWVWEEKCQPY-UHFFFAOYSA-N	340.365	-1.215	0	40	EAAB	
CNC(=O)[C@]1(n2cccn2)CCCN(C(=O)CS(C)(=O)=O)C1	2055771872	GBNNPUZDUFMYKP-ZDUSSCGKSA-N	328.394	-1.009	0	40	EAAB	
OC[C@@H]1O[C@@](CO)(NNC(=S)Nc2ccccc2)[C@H](O)[C@@H]1O	5338403	OFZZPKSOLKXBRK-SBFPOUOMSA-N	329.378	-1.721	0	40	EAAB	
COc1cc(CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	34430431	RWIINOLFQCPJMH-VVSAWPALSA-N	346.332	-1.625	0	40	EAAB	biogenic,in-vitro
O=C1C=CC(=O)N1[C@@H](O)COCCOC[C@@H](O)N1C(=O)C=CC1=O	113434410	MNEYVUUWQVAEHQ-OKILXGFUSA-N	340.288	-2.494	0	40	EAAB	
Cn1c(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc(=O)n(C)c1=O	44892673	PZQZXGODJPLXPV-CYBMUJFWSA-N	336.392	-1.093	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	56426	VJUPMOPLUQHMLE-HAVMAKPUSA-N	346.141	-1.218	0	40	EAAB	
COC(=O)[C@H]1N[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)SC1(C)C	5639494	SGIHDTCYLFWNOK-ZXEGLVKPSA-N	325.383	-2.595	0	40	EAAB	
COc1cc(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O	49176734	VZSGMNVXQXYFPI-YADOHIMWSA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CC[C@@](O)(CNC(=O)c2ccccn2)[C@H](O)C1	257323800	WLWBISNCUMWMRT-DGCLKSJQSA-N	329.378	-1.431	0	40	EAAB	
O=S(=O)(c1ccco1)N1CC(S(=O)(=O)N2CCNCC2)C1	585137080	HGUSNIYYLFDRHL-UHFFFAOYSA-N	335.407	-1.113	0	40	EAAB	
OCC1=C[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	4268261	RJWJHRPNHPHBRN-GIPPBLCUSA-N	346.332	-2.802	0	40	EAAB	in-man
OCC1=C[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	4268265	RJWJHRPNHPHBRN-RGJOUYBNSA-N	346.332	-2.802	0	40	EAAB	
CC(=O)N1CCN(CCNC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CC1	65423910	FPFONZZHCZNPPM-CYBMUJFWSA-N	346.453	-1.021	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O	599389314	GUBGYTABKSRVRQ-SDHADKMQSA-N	342.297	-5.397	0	40	EAAB	
NC(=O)C1CCN(C(=O)CNC(=O)N[C@H]2CCS(=O)(=O)C2)CC1	36365804	CEOQOAXGQSKCKS-JTQLQIEISA-N	346.409	-1.803	0	40	EAAB	
O=C(CN1CCN(c2ccc3nnnn3n2)CC1)N1CCOCC1	57383424	UXMIVGSHCDLEFL-UHFFFAOYSA-N	332.368	-1.500	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1n1c(=O)oc2ccccc21	104195524	QGEMCCHZKBTJJI-XGFWRYKXSA-N	338.316	-1.289	0	40	EAAB	
CC(=O)NC[C@]1(O)CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1O	585290871	IIZKIEYJSQKSFO-XHCBAJNBSA-N	341.408	-1.665	0	40	EAAB	
CCN(C(=O)COC(=O)C1=NNC(=O)CC1)[C@H]1CCS(=O)(=O)C1	6051762	JIHYPRXEZOHYKR-VIFPVBQESA-N	345.377	-1.169	0	40	EAAB	
CC(=O)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O	31158975	ARYSAKCPIBLSDO-RGCYKPLRSA-N	330.289	-1.521	0	40	EAAB	biogenic
OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	39945924	GUBGYTABKSRVRQ-JEXCKZAXSA-N	342.297	-5.397	0	40	EAAB	in-man
Cn1cc(C(N)=O)c(=O)n(CC(=O)NCCOc2ccccc2)c1=O	12997398	QRGDZIIKIKPXIN-UHFFFAOYSA-N	346.343	-1.159	0	40	EAAB	
CC(=O)NC1=C(/C(O)=C(/O)CO)OC(C(=O)O)=C[C@@H]1NC(=N)N	1560410191	HWHQMRSMCLWJQC-ICPXLOEFSA-N	328.281	-1.496	0	40	EAAB	
COCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643913433	XIDLNAOCRWGGPU-QHSBEEBCSA-N	335.397	-1.504	0	40	EAAB	
CC(=O)Nc1cccc2c1nnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	4024288	RNBTVKDHOVSFHE-RGCYKPLRSA-N	338.320	-1.638	0	40	EAAB	biogenic
Cn1ncc2c(=O)[nH]c(CN3CCN(S(C)(=O)=O)CC3)nc21	52826744	JMUOKNZDKBKMFO-UHFFFAOYSA-N	326.382	-1.266	0	40	EAAB	
CC(=O)N1CCCCOC[C@@H](O)[C@H](O)[C@@H](O)CN(C(C)=O)CC1	643913215	LJTJOCNQWVYIRP-RRFJBIMHSA-N	332.397	-1.424	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	25723185	HDTRYLNUVZCQOY-CAPXFGMSSA-N	342.297	-5.397	0	40	EAAB	
Cn1c(=O)c2cc(S(=O)(=O)NCC(=O)O)ccc2n(C)c1=O	40546334	XGHMMYTYCYEDEM-UHFFFAOYSA-N	327.318	-1.400	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)c2nccn2C)CCN(S(C)(=O)=O)C1	257315873	VDBKYQFQWYEADB-SNVBAGLBSA-N	343.409	-1.500	0	40	EAAB	
Cc1c(CN2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)cnn1C	257343782	ZUJXXNGCXGKLEQ-LBPRGKRZSA-N	329.426	-1.093	0	40	EAAB	
Cn1cccc(C(=O)N2C[C@@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)c1=O	1565546225	WFQZHSVHNAUGIG-NEPJUHHUSA-N	341.389	-1.130	0	40	EAAB	
CCNc1nc2c(=O)[nH]c(N)nc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4963949	DWCPAYYCDOZDBZ-HUEBKHCJSA-N	326.313	-2.255	0	40	EAAB	
C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	72282350	YGFHSQDXFXUMHT-WDEREUQCSA-N	342.421	-1.059	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)c2cnc(N(C)C)nc2)CCN1C(C)=O	257295688	QZMAKBBUQVYVAE-GFCCVEGCSA-N	334.380	-1.039	0	40	EAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CF)[C@@H](O)[C@H]2O)cc1Br	5496715	ONUVAOQZEVZTLW-FJDLHZNMSA-N	325.090	-1.112	0	40	EAAB	
Cn1c(=O)c2c(nc(Cl)n2CCN2C(=O)CNC2=O)n(C)c1=O	31679411	MRFJUGKWKXREBR-UHFFFAOYSA-N	340.727	-1.361	0	40	EAAB	
CN(C)C(=O)COc1cc(C(=O)NCCN2CCOCC2)nn1C	57312672	CCPNCYDQLNMGHR-UHFFFAOYSA-N	339.396	-1.051	0	40	EAAB	
O=C(CCn1cc[nH]c(=O)c1=O)N1CCN([C@H]2CCC[C@@H]2O)CC1	84613312	SLXFVRHTFUQEFG-STQMWFEESA-N	336.392	-1.016	0	40	EAAB	
CC(=O)Nc1ccc(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	4523471	IPROLSVTVHAQLE-OIRVYTLQSA-N	327.289	-1.084	0	40	EAAB	
COC(=O)NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	5807990	UXSFHFOZLWFQEN-HEZDBXPZSA-N	345.264	-3.356	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253615138	HIWPGCMGAMJNRG-KDZJWQFMSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C1NC(=O)C([C@@H]2c3ccccc3O[C@@H]3NC(=O)NC(=O)[C@@H]32)C(=O)N1	221853740	XNPQLYJTKLQWNE-XICLSFFLSA-N	344.283	-1.074	0	40	EAAB	
CC(C)(C)CC(=O)N[C@@H]1C=C(C(=O)NCCC(N)=O)C[C@@H](O)[C@@H]1O	3838801	AGTKOCQYWJXVDN-JTNHKYCSSA-N	341.408	-1.049	0	40	EAAB	biogenic,in-vitro
C[C@@]1(O)[C@@](C)(CO)O[C@@](C)(n2cnc3c(N)nc(N)nc32)[C@]1(C)O	12358656	VQFFXQYSVFFNFX-AAVRWANBSA-N	338.368	-1.053	0	40	EAAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[C@H]1C(=O)OC	106904055	PAMFBCKUFAPQLG-OUAUKWLOSA-N	346.405	-1.053	0	40	EAAB	
COc1ncc(CN2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)cn1	257226940	FMVSRLUHQYFEOQ-NSHDSACASA-N	343.409	-1.336	0	40	EAAB	
NNc1c(C(N)=O)c2c(N)ncnc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5011743	XCAQHWQRKUEFKS-YJMZUNRSSA-N	339.312	-2.991	0	40	EAAB	in-vitro
CSc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886078	HCNZUFTYFCPWCS-CRKDRTNXSA-N	343.365	-1.954	0	40	EAAB	
COc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	5713000	BVQSERHIUBPCKW-PNHWDRBUSA-N	329.309	-2.158	0	40	EAAB	
COc1nc2c(nc(N)n2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886026	RFZBOQBHSLUDOM-CRKDRTNXSA-N	327.297	-2.668	0	40	EAAB	
COC(=O)[C@H]1O[C@@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@H]1O	8651708	PJFRVIWMZDBMEC-DYKCLZFZSA-N	342.333	-1.574	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(C(=O)O)cc1	216303734	ZZGOODZEYMETHT-MCZMQQNQSA-N	341.316	-1.293	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CCN2CCCC2)C[C@H](C(N)=O)C1	257323383	WJXWRYBKKGBURV-LBPRGKRZSA-N	346.453	-1.322	0	40	EAAB	
COCCNC(=O)N[C@H]1CO[C@@H](CN2CCN(C(C)=O)CC2)[C@@H]1O	514288424	DWSBAKUDJLYNNU-MELADBBJSA-N	344.412	-1.776	0	40	EAAB	biogenic,in-vitro
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)n1C	5812898	VJRRURAMNHFZBJ-BDYQZXKHSA-N	348.381	-2.704	0	40	EAAB	
CC(=O)O[C@H]1[C@@H](OC(C)=O)N([N+](=O)[O-])c2nonc2N1[N+](=O)[O-]	16321631	OJDKQXIGHQTKGS-OCAPTIKFSA-N	332.185	-1.142	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	39945923	GUBGYTABKSRVRQ-NFOZHLNUSA-N	342.297	-5.397	0	40	EAAB	in-man
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O	100643694	ACOHYWQXMGRSAG-IXOMLGCXSA-N	328.280	-1.222	0	40	EAAB	
CNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	30339028	XTOQIHWOIPTWDB-VIFPVBQESA-N	344.393	-1.627	0	40	EAAB	
C[C@@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCOCC2)CC1	32770129	JMOIJAVVTYTPGP-JTQLQIEISA-N	349.413	-2.236	0	40	EAAB	
CC(=O)N1CCCOCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C1	643912949	DTVQQYJGPUEQHC-KBUPBQIOSA-N	335.397	-1.504	0	40	EAAB	
CC(=O)NCCC(=O)N1CC2(CN(C(C)=O)C[C@H]3C[C@@H](O)CN32)C1	514289750	OIZVETSZAJITNX-ZIAGYGMSSA-N	338.408	-1.609	0	40	EAAB	biogenic,in-vitro
OC[C@]1(O[C@@H]2O[C@@H](CF)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H](CF)[C@@H](O)[C@H]1O	5554035	QFAIWPWCNFEWFB-PBODEZSKSA-N	346.279	-3.441	0	40	EAAB	
O=C1CN(NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)C(=O)N1	29019504	BLLHMKRLTMAVDP-UHFFFAOYSA-N	331.288	-1.337	0	40	EAAB	
CN(C)CCC(=O)N[C@@]1(C)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	2257506	GSEWBNLFBWFHMC-WPRPVWTQSA-N	328.412	-1.502	0	40	EAAB	
Nc1nc(Br)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	4743793	JEAGSZXYGSYKJX-HFXAWCPLSA-N	346.141	-1.218	0	40	EAAB	
C[C@]1(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1	5677116	OWUUFSYKDYROKF-BDAKNGLRSA-N	331.437	-1.330	0	40	EAAB	
C[C@H]1COC(=O)[C@@H]2[C@@H](C)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H]21	238764883	CUIDBUWFCFYEPL-PIFFKTMJSA-N	346.376	-1.363	0	40	EAAB	biogenic,in-vitro
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](O)[C@H]1O	101922285	VORXIVUCGWLOIX-SDCKUUTBSA-N	328.325	-1.415	0	40	EAAB	
Cn1c(CN2CCCC[C@@H]2CNS(C)(=O)=O)cc(=O)n(C)c1=O	40511267	GTVYUTWTONOHAZ-LLVKDONJSA-N	344.437	-1.012	0	40	EAAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(N)=O)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1	245380460	ZNMJIWKPLYNJEA-GPTQDWHKSA-N	330.337	-1.016	0	40	EAAB	
Nc1nc(N)c2c(n1)O[C@]1(COCCN(C(=O)/C=C/C(=O)O)C1)C2	257232744	GMEYOGCJRWNADB-VSZDKKFSSA-N	335.320	-1.186	0	40	EAAB	
CC1(C)NC(=O)N(CCC(=O)N2[C@H](CN)CC[C@@H]2CC(N)=O)C1=O	257290838	QENJHLLYPUGFHG-ZJUUUORDSA-N	339.396	-1.099	0	40	EAAB	
CC(C)(C)[C@@]1(O)C[C@H]2OC(=O)C[C@@]23C(=O)O[C@@]2(O)OC(=O)[C@@H](O)[C@@]312	584577024	DLMZRYRAKAOJTA-ZEBKJUMSSA-N	342.300	-1.424	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4000497	VJUPMOPLUQHMLE-FULWYAMNSA-N	346.141	-1.218	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)C2CCOCC2)CCN(S(C)(=O)=O)C1	257337905	YUYRXYFBXSRVQK-LBPRGKRZSA-N	347.437	-1.121	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CN2CCOCC2)C[C@H](C(N)=O)C1	257337702	YUAPFBBSLMKJGJ-NSHDSACASA-N	348.425	-2.476	0	40	EAAB	
CS(=O)(=O)N[C@H]1C[C@H]2CN[C@@H](CNC(=O)C3CC3)C(=O)N2C1	2332242126	INEHMUGGLBBVEP-DCAQKATOSA-N	330.410	-1.997	0	40	EAAB	
CC(=O)N[C@@H]1C=C(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O	3838816	FWMZYQUIKXYASJ-FDYHWXHSSA-N	327.381	-1.441	0	40	EAAB	biogenic,in-vitro
O=C(NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)N1CCOCC1	20465003	CYNLWMNDRAHJML-ZOBORPQBSA-N	329.397	-1.387	0	40	EAAB	biogenic,in-vitro
OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	33821399	QIGJYVCQYDKYDW-LBGGPIGOSA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cc1ccc(N2C[C@@H](C(=O)NC(C(N)=O)C(N)=O)CC2=O)cc1F	42790154	NMODCFIAYCRDDF-QMMMGPOBSA-N	336.323	-1.058	0	40	EAAB	
COC(=O)[C@@H](CO)NC(=O)[C@H](CO)NC(=O)OCc1ccccc1	1576095	WMKCPTRURVRKRM-NWDGAFQWSA-N	340.332	-1.076	0	40	EAAB	
CC1(C)O[C@@H]2O[C@@H](C(=O)NCC(N)=O)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1	5027510	ZNMJIWKPLYNJEA-CDPPZIPSSA-N	330.337	-1.016	0	40	EAAB	
O=C(CCn1cc[nH]c(=O)c1=O)N1CCN([C@H]2CCC[C@H]2O)CC1	84613314	SLXFVRHTFUQEFG-QWHCGFSZSA-N	336.392	-1.016	0	40	EAAB	
CN(C)CCCNc1c(NC[C@@H](O)CN2CCOCC2)c(=O)c1=O	101688322	GNFITMIFVVGUEX-GFCCVEGCSA-N	340.424	-1.249	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)Cc2cccnc2)C[C@H](C(N)=O)C1	257216454	CUOMTEGTCKGFJO-LBPRGKRZSA-N	340.405	-1.171	0	40	EAAB	
O=C(CN1CCN(CCO)CC1)N1CC[C@@](O)(CN2CCCC2)C1	257339931	ZDUCCXFTUIZBQV-QGZVFWFLSA-N	340.468	-1.345	0	40	EAAB	
CN[C@@H]1[C@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@]3(O)O[C@H]2[C@H](NC)[C@@H]1O	71789713	UNFWWIHTNXNPBV-OLGWKJQTSA-N	332.353	-2.926	0	40	EAAB	in-vitro
Cn1cc(N2C[C@@]3(COCCN(S(C)(=O)=O)C3)OCC2=O)cn1	96078353	LAGNHFIEIPAPPK-ZDUSSCGKSA-N	344.393	-1.186	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO)C2O	108555973	SROWMOMOKMQMBI-RVNTZOTOSA-N	332.397	-3.233	0	40	EAAB	
Cn1ccc(C(=O)N2CC[C@@]3(Cc4nn(C)c(=O)c(=O)n4C3)C2)n1	306137718	RDUGXNBIXCXITJ-OAHLLOKOSA-N	330.348	-1.236	0	40	EAAB	
Nc1ncn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c2ncnc1-2	5250139	YXKYJBZIZFOEPY-PERBPWGJSA-N	347.224	-1.911	0	40	EAAB	
Cn1cc(N2C[C@]3(COCCN(S(C)(=O)=O)C3)OCC2=O)cn1	96078352	LAGNHFIEIPAPPK-CYBMUJFWSA-N	344.393	-1.186	0	40	EAAB	
OCC1=C[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	5566520	RJWJHRPNHPHBRN-MLTDDBCCSA-N	346.332	-2.802	0	40	EAAB	in-man
COc1ccc([C@@H](O)[C@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	35465319	JYWSARFDLXXOHT-JLDRTTQUSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
COCCn1nc(C(=O)N2CCCN(CC(N)=O)CC2)ccc1=O	71829365	RXMOAZSZZYWTBE-UHFFFAOYSA-N	337.380	-1.477	0	40	EAAB	
CN(C)C(=O)COC[C@@H]1CN(S(C)(=O)=O)Cc2nnn(C)c21	96198576	XJQGBJJWRAUSFA-VIFPVBQESA-N	331.398	-1.221	0	40	EAAB	
COC(=O)c1cn(N[C@H]2CS(=O)(=O)C[C@@H]2O)cc2c(O)nnc1-2	524735062	RUWUOORBLHTSIK-IUCAKERBSA-N	342.333	-1.424	0	40	EAAB	
CNC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1C(=O)NC	2049513483	FGYOREMPAKONCG-VOGQQBJESA-N	344.324	-3.425	0	40	EAAB	
COCCn1c(C)c(C)n2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12	4314372	FSJQRVMSRHSLGO-UHFFFAOYSA-N	348.363	-1.102	0	40	EAAB	
CC(=O)Nc1ccc(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1	4808905	VXWWFZYNDISMBU-UHFFFAOYSA-N	328.350	-1.394	0	40	EAAB	
N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](N)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	4535916	QLTSDROPCWIKKY-XDPUQEGKSA-N	340.329	-5.464	0	40	EAAB	biogenic
COCCO[C@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@H]1O	85475068	DLLBJSLIKOKFHE-PPSWKLDYSA-N	341.324	-2.016	0	40	EAAB	
CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)N3CCCC3)C[C@H]2O)CC1	257228345	FTLQAUWJMJZSGI-ZIAGYGMSSA-N	346.453	-1.464	0	40	EAAB	
COc1ncccc1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257285292	PGMHMTWHEYALCH-MFKMUULPSA-N	345.377	-1.813	0	40	EAAB	
OC[C@@H]1O[C@](CO)(O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	4556539	CZMRCDWAGMRECN-PBODEZSKSA-N	342.297	-5.396	0	40	EAAB	in-man
OC[C@H]1O[C@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	13544561	DLRVVLDZNNYCBX-CMQCSPFPSA-N	342.297	-5.397	0	40	EAAB	in-vitro
C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	72282349	YGFHSQDXFXUMHT-GHMZBOCLSA-N	342.421	-1.059	0	40	EAAB	
COCCn1c(C)cn2c3c(=O)n(CC(N)=O)c(=O)n(C)c3nc12	4314184	MCKVILWKDHFRGV-UHFFFAOYSA-N	334.336	-1.410	0	40	EAAB	
CN(C)S(=O)(=O)N1CC2(CC[C@@H](CNS(C)(=O)=O)CO2)C1	247546286	UOTWBKNGJHOTCO-JTQLQIEISA-N	341.455	-1.177	0	40	EAAB	
O=S1(=O)C[C@@H](O)[C@H](N(CCO)S(=O)(=O)c2ccccc2)C1	575420296	AGFBZNKXMPKJQN-VXGBXAGGSA-N	335.403	-1.173	0	40	EAAB	
CN(C)CCC(=O)N[C@]1(C)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	2257505	GSEWBNLFBWFHMC-WCBMZHEXSA-N	328.412	-1.502	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19312827	RNZZLJJRTGHUGN-DXHCQJABSA-N	330.381	-3.025	0	40	EAAB	
CC(=O)NCCC(=O)N1CC2(CN(C(C)=O)C[C@@H]3C[C@@H](O)CN32)C1	514289749	OIZVETSZAJITNX-UONOGXRCSA-N	338.408	-1.609	0	40	EAAB	biogenic,in-vitro
O=C(CN1C(=O)CNC1=O)N1CC[C@](O)(CN2CCOCC2)C1	257222668	DUGGVXMRAOWMKW-AWEZNQCLSA-N	326.353	-2.166	0	40	EAAB	
CCC12CN3CC(CC)(CN(C1)C3[C@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19331326	DDFSYXNAYCTMRJ-MSFXQPGGSA-N	328.409	-1.606	0	40	EAAB	biogenic
C[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)n(C)c(=O)c2c1)C(=O)O	40546440	AMYNGWIYXAKYNL-LURJTMIESA-N	327.318	-1.022	0	40	EAAB	
Cn1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1	29385861	FXPZSQGSCMLSOQ-UHFFFAOYSA-N	343.409	-1.245	0	40	EAAB	
COCc1cn(C[C@H]2C[C@@H](NC(=O)c3ccno3)[C@H](O)[C@@H]2O)nn1	225499231	CQRPAHGVQTZZEF-DXLKZPDWSA-N	337.336	-1.047	0	40	EAAB	biogenic,in-vitro
Nc1nc2c(ncn2[C@H]2C[C@H](OP(=O)(O)O)[C@H](CO)O2)c(=O)[nH]1	4543681	QQMSZHORHNORLP-HCWXCVPCSA-N	347.224	-1.541	0	40	EAAB	
COC(=O)/C=C(\Nc1ccc(S(N)(=O)=O)cc1)C(=O)NCCO	96300955	SNTURHAJVOIPAJ-FLIBITNWSA-N	343.361	-1.089	0	40	EAAB	
C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1N1CCOCC1	76051157	SLMUTGDHAYBZHN-QWHCGFSZSA-N	336.392	-1.274	0	40	EAAB	
CN(CCO)C(=O)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	257289609	PZKRXFQVUYYSJT-YCEVYCCKSA-N	336.366	-3.836	0	40	EAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(N)c(=O)n1C	5812893	VJRRURAMNHFZBJ-BCROTXFESA-N	348.381	-2.704	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccccc1C(=O)O	31703899	CPWDQTVVDKAHLL-BIGJJFBESA-N	341.316	-1.293	0	40	EAAB	
COCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	103134066	AWXXUJPQAZFVOC-NNXMZFEESA-N	340.340	-1.922	0	40	EAAB	
CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)c3ncn(C)n3)C[C@@H]2C1=O	585107850	SCQLFBKUQPJNHD-MNOVXSKESA-N	334.380	-1.176	0	40	EAAB	
CN(C)C(=O)CN1CC[C@H]2CN(C(=O)c3ncn(C)n3)C[C@H]2C1=O	585107852	SCQLFBKUQPJNHD-WDEREUQCSA-N	334.380	-1.176	0	40	EAAB	
CCN(CC)CCNC(=O)Cc1nc2c(c(=O)[nH]c(=O)n2C)n1C	1854651	RIEUIXXGYCYKCW-UHFFFAOYSA-N	336.396	-1.039	0	40	EAAB	biogenic
CO[C@@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)O)[C@@H](O)S(=O)(=O)O	5052354	DLJVRBPNTDBJJO-BXKVDMCESA-N	326.301	-3.251	0	40	EAAB	
CCCNC(=O)NC(=O)CN1CCC[C@@H](CNS(N)(=O)=O)C1	69665942	MBWOGUOGRLNHAV-JTQLQIEISA-N	335.430	-1.273	0	40	EAAB	
O=C1[C@H]2C3C=CC([C@H]2C(=O)N1CCO)[C@H]1C(=O)N(CCO)C(=O)[C@H]31	13151733	IYRBGBHQRCADLS-UQEOTURGSA-N	334.328	-2.011	0	40	EAAB	
CCOC(=O)Cn1c(N2CCNCC2)nc2c1c(O)nc(=O)n2C	618255204	RKSRNMXZBILHGB-UHFFFAOYSA-N	336.352	-1.192	0	40	EAAB	
O=C1N[C@H](CN2CCC(O)CC2)C(=O)N[C@H]1CN1CCC(O)CC1	1561452	YVWMOTCTCRWWFR-OKILXGFUSA-N	340.424	-2.117	0	40	EAAB	
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@](O)(CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	15657773	JCQLYHFGKNRPGE-LVIPNTBNSA-N	342.297	-5.396	0	40	EAAB	
CCc1cc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)on1	257205867	BAXHOMKRKAWCDJ-PWSUYJOCSA-N	333.366	-1.666	0	40	EAAB	
Cn1c(=O)n(C)c2c(N3CCN(S(C)(=O)=O)CC3)ncnc21	2086978709	PYRCPZSKOPQOQH-UHFFFAOYSA-N	326.382	-1.251	0	40	EAAB	
O=C(Cn1c(-c2ncccn2)noc1=O)N[C@H]1CCS(=O)(=O)C1	58342990	NYDCFDVSSANPNX-QMMMGPOBSA-N	339.333	-1.403	0	40	EAAB	
C[C@H]1CN(S(=O)(=O)N2CCN(S(N)(=O)=O)CC2)C[C@@H](C)O1	69696434	XVPOWUAYJABPCB-AOOOYVTPSA-N	342.443	-1.839	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@@]2(CO)O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	83301189	CZMRCDWAGMRECN-FBXJDJJESA-N	342.297	-5.396	0	40	EAAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(N)=O)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1	245380462	ZNMJIWKPLYNJEA-RWHSBRQSSA-N	330.337	-1.016	0	40	EAAB	
COCCNc1nc2c(N)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	8740350	AWXXUJPQAZFVOC-WOUKDFQISA-N	340.340	-1.922	0	40	EAAB	biogenic
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)C2O	108555978	SROWMOMOKMQMBI-WUXRPBAESA-N	332.397	-3.233	0	40	EAAB	
C[C@@H](O)COc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	205412795	HLFWWFZDUMLOEE-BZNPZCIMSA-N	325.325	-1.191	0	40	EAAB	
Cc1cc(C(=O)N2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)no1	607853880	HOVXQIHLZCAJSY-SECBINFHSA-N	330.366	-1.198	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)CC1	17068286	GUXQSXRUBRLQFO-VLEAKVRGSA-N	332.378	-1.032	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2O	19323018	SROWMOMOKMQMBI-DWVSZZHFSA-N	332.397	-3.233	0	40	EAAB	
NC(=O)C(NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)C(N)=O	65458213	CHSCRSVKIAJNCK-UHFFFAOYSA-N	331.332	-1.380	0	40	EAAB	
COc1ccc([C@@H](O)[C@@H](C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	253529648	JYWSARFDLXXOHT-AAEHFISKSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
NCCN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccccc1	575421315	HUZHEPUHWUKYND-NEPJUHHUSA-N	334.419	-1.206	0	40	EAAB	
O=S1(=O)C[C@H](O)[C@@H](NCCNS(=O)(=O)c2ccccc2)C1	575426610	WUGQYXMBCXRYLK-RYUDHWBXSA-N	334.419	-1.288	0	40	EAAB	
O=C(CO)[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	4353175	RULSWEULPANCDV-CGRBQNOFSA-N	342.297	-5.553	0	40	EAAB	
OC[C@]1(O[C@@H]2O[C@H](CF)[C@@H](O)[C@H](O)[C@@H]2O)O[C@@H](CF)[C@@H](O)[C@H]1O	5554036	QFAIWPWCNFEWFB-ZQKCVPEJSA-N	346.279	-3.441	0	40	EAAB	
CNC(=O)[C@H]1C[C@@H]2CN(S(=O)(=O)c3cn(C)cn3)C[C@@H]2N1C	96182512	INSLSEDVPVYYHO-MXWKQRLJSA-N	327.410	-1.141	0	40	EAAB	
S=C(NCCN1CCNCC1)C(=S)NCCN1CCNCC1	19864754	VHQRNZLMFMSUFY-UHFFFAOYSA-N	344.554	-1.369	0	40	EAAB	
CS(=O)(=O)NCC(=O)N1C[C@@H](O)[C@H](N2CCC(F)(F)CC2)C1	257329113	XINJSCUXPKJXOM-NXEZZACHSA-N	341.380	-1.162	0	40	EAAB	
OC[C@H]1O[C@H](n2cnc3c(N4CCOCC4)ncnc32)[C@@H](O)[C@@H]1O	11582484	BTFFXIPHHREHCW-GJTWSCIVSA-N	337.336	-1.726	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1OP(=O)(O)O	13424932	QDFHPFSBQFLLSW-UHTZMRCNSA-N	347.224	-1.863	0	40	EAAB	biogenic
Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)C(F)(F)F	53219668	TUDRWVDXIQKGIO-WTDSWWLTSA-N	326.303	-1.121	0	40	EAAB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C1=O	100643695	ACOHYWQXMGRSAG-NJIFDFHESA-N	328.280	-1.222	0	40	EAAB	
CC1(C)O[C@@H]2[C@H](CS(C)(=O)=O)O[C@@H](n3ncc(=O)[nH]c3=O)[C@@H]2O1	13551005	WJOLFGCXPCLESC-JZKKDOLYSA-N	347.349	-1.606	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O	71789737	HDTRYLNUVZCQOY-JXLBEWPBSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](O)[C@H](O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	253495028	ZQLBHQSQMQLFBM-CLHCLYRXSA-N	348.304	-1.551	0	40	EAAB	
CCCS(=O)(=O)N[C@H]1CO[C@@H](CN2CCN(C(C)=O)CC2)[C@@H]1O	514289084	NMYYZPXKGHQUNF-MELADBBJSA-N	349.453	-1.392	0	40	EAAB	biogenic,in-vitro
CC(C)NC(=O)CN(C)[C@H](C)C(=O)c1c(N)n(C)c(=O)n(C)c1=O	17306619	RNPOLOLGGKYEDY-SECBINFHSA-N	339.396	-1.306	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19312821	RNZZLJJRTGHUGN-PLKKEYROSA-N	330.381	-3.025	0	40	EAAB	
CC(=O)NC[C@]1(O)CCN(S(=O)(=O)c2cccnc2)C[C@H]1O	257215157	COYKPRGGQLCAMW-CHWSQXEVSA-N	329.378	-1.296	0	40	EAAB	
CCNC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2	2332242947	IYIYSDZMRUORSQ-LBPRGKRZSA-N	347.437	-1.084	0	40	EAAB	
O=P(O)(O)OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	3869917	RNBGYGVWRKECFJ-FSIIMWSLSA-N	340.114	-2.986	0	40	EAAB	
CC(=O)N[C@H]1C(=O)N=C(SCC(=O)Nc2ncccn2)NC1=O	6073698	WRCIEXWYTKBPSE-UHFFFAOYSA-N	336.333	-1.335	0	40	EAAB	
O=C(COC(=O)CO)NCCCCCCNC(=O)COC(=O)CO	150332567	PPMUUIREXDUYLE-UHFFFAOYSA-N	348.352	-2.150	0	40	EAAB	
COCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	1615124811	XIDLNAOCRWGGPU-CTHBEMJXSA-N	335.397	-1.504	0	40	EAAB	
C[C@@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCCC2)CC1	32777709	BZRPEXODZWKZKK-JTQLQIEISA-N	333.414	-1.472	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(=O)O)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	62725186	ZZGOODZEYMETHT-WHPHWUKISA-N	341.316	-1.293	0	40	EAAB	
Nc1nc2c(c(=O)[nH]1)c1c(N)ncnc1n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5385128	SNKLMUGPSNINBD-YWARTMNGSA-N	349.307	-2.556	0	40	EAAB	
CC(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1	2243479	IPROLSVTVHAQLE-DIACKHNESA-N	327.289	-1.084	0	40	EAAB	
NNc1c(C(N)=O)c2c(N)ncnc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5011742	XCAQHWQRKUEFKS-MQQQIBFLSA-N	339.312	-2.991	0	40	EAAB	in-vitro
O=c1[nH]cnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](OP(=O)(O)O)[C@@H]1O	2558195	XALREVCCJXUVAL-DEGSGYPDSA-N	348.208	-2.152	0	40	EAAB	
COC(=O)C[C@H]1C(=O)NCCN1Cc1nc2c(cnn2C)c(=O)[nH]1	65415460	XWRUOCIOTVZNMX-VIFPVBQESA-N	334.336	-1.480	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	13424698	XHCADAYNFIFUHF-DVLUHMITSA-N	340.284	-1.323	0	40	EAAB	
Nc1c2ncn([C@@H]3O[C@@H]4CO[P@](=O)(O)O[C@H]4[C@H]3O)c2nc[n+]1[O-]	38580931	BDQMQFQUJOMWAB-KQYNXXCUSA-N	345.208	-1.579	0	40	EAAB	in-vitro
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CF)[C@@H](O)[C@@H]2O)cc1Br	5496718	ONUVAOQZEVZTLW-SKHQTKALSA-N	325.090	-1.112	0	40	EAAB	
CN(C)C[C@@H]1CN(CC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)CCO1	69773695	TYAUPPFLSQCVNW-CHWSQXEVSA-N	333.454	-1.106	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H]3C=C[C@@H](O3)[C@@H]2C(=O)O)CC1	102601231	NREYDRSDQRDRSR-VLEAKVRGSA-N	330.362	-1.256	0	40	EAAB	
O=C(CO)N[C@H]1[C@@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@H]1O	106403632	FDJKUWYYUZCUJX-OWBBEMKSSA-N	325.270	-4.899	0	40	EAAB	
O=C(O)CN([C@@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccccc1	575423012	NIYLKBWPJFTSQK-MNOVXSKESA-N	349.386	-1.080	0	40	EAAB	
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	9048399	HUPUFBIUBGPLPS-VIFPVBQESA-N	347.393	-1.050	0	40	EAAB	
N[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O	43758960	QLTSDROPCWIKKY-YPOQAAMASA-N	340.329	-5.464	0	40	EAAB	
CN(C)C(=O)COC[C@H]1CN(S(C)(=O)=O)Cc2nnn(C)c21	96198575	XJQGBJJWRAUSFA-SECBINFHSA-N	331.398	-1.221	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)c2cnco2)CCN(S(C)(=O)=O)C1	257220203	DJZOFQMYFABGNZ-VIFPVBQESA-N	330.366	-1.246	0	40	EAAB	
CC(=O)NC[C@]1(O)CCN(C(=O)c2cnc(N(C)C)nc2)C[C@H]1O	257316799	VHAQABJVYNHSHH-IUODEOHRSA-N	337.380	-1.383	0	40	EAAB	
NC(=S)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2[nH]cnc(=O)c12	8628067	BVSMGATZUKRHIJ-QNQPIPONSA-N	326.334	-2.030	0	40	EAAB	
CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccccc1	4337019	JDYYFLJPBQRAOA-LLVKDONJSA-N	327.362	-1.104	0	40	EAAB	
Cn1nccc1C(=O)NCC(=O)N1CCN(S(C)(=O)=O)CC1	96192300	KBTFIMYLMUEYIX-UHFFFAOYSA-N	329.382	-1.746	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	18045874	HDTRYLNUVZCQOY-LMOQYUSOSA-N	342.297	-5.397	0	40	EAAB	biogenic,in-man
CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@H]2COCCO2)CCO1	681942792	QDLUUQAIAIVOMK-NWDGAFQWSA-N	330.337	-1.438	0	40	EAAB	
OCC1=C[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	13407258	RJWJHRPNHPHBRN-AKDSLEOASA-N	346.332	-2.802	0	40	EAAB	
CCCC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	19323295	WQUOQNOTWALCDH-KSJDIHKRSA-N	328.409	-1.606	0	40	EAAB	
CC(=O)NC[C@]1(O)CN(S(=O)(=O)c2cn(C)nc2C)C[C@H]1O	257239061	HNTWRQXBEOTUKW-NEPJUHHUSA-N	332.382	-2.039	0	40	EAAB	
NS(=O)(=O)c1ccc(NS(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1	33327121	HDZRDUGRSYLGEZ-UHFFFAOYSA-N	346.346	-1.489	0	40	EAAB	
CC[C@@]1(C)NC(=O)N(NC(=O)CNC[C@H]2CN(C)CCO2)C1=O	72267964	HAHDQNGCVWSEPB-IINYFYTJSA-N	327.385	-1.342	0	40	EAAB	
O=C(O)CN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccccc1	575423013	NIYLKBWPJFTSQK-QWRGUYRKSA-N	349.386	-1.080	0	40	EAAB	
COCCNC(=O)[C@H]1CN(S(=O)(=O)N(C)C)C[C@H]2OCC[C@H]21	2055746450	HBIUSHVPAJLBBP-SDDRHHMPSA-N	335.426	-1.108	0	40	EAAB	
Cn1nc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c2c1CCS(=O)(=O)C2	41070300	KICMPALFHUAWHV-MRVPVSSYSA-N	347.418	-1.192	0	40	EAAB	
Cn1c(=O)c2c(n(C)c1=O)=NC=c1c(=O)n(C)c(=O)n(C)c1=NC=2	1625742	UQMZWLGTMUSOGR-UHFFFAOYSA-N	330.304	-5.090	0	40	EAAB	
CCSC(SCC)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403668	ZSEWRIVLPSASIS-JHMKVRFYSA-N	346.467	-2.024	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccccc1C(=O)O	31703903	CPWDQTVVDKAHLL-MCZMQQNQSA-N	341.316	-1.293	0	40	EAAB	
C[C@H](O)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O	34317956	LOGFVTREOLYCPF-YFKTTZPYSA-N	344.412	-1.616	0	40	EAAB	
COc1ccnc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)n1	71824245	BEGJRMVFYXLGEH-UHFFFAOYSA-N	334.336	-1.314	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	216304773	AVCNXSQPUQMVNJ-RGDJUOJXSA-N	340.332	-1.260	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	17106920	ONFXBIPJPAWLNU-ZLGIUQBVSA-N	337.336	-1.669	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2O	19331307	SROWMOMOKMQMBI-HEIZPMLLSA-N	332.397	-3.233	0	40	EAAB	
CCN1CCN(CC(=O)N2CCNC(=O)[C@@H]2CC(=O)OC)CC1	20800267	VPKNTLALAYLTSV-LBPRGKRZSA-N	326.397	-1.486	0	40	EAAB	
CS(=O)(=O)NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O	4824165	VVVQNXIPTOHGCZ-ICQCTTRCSA-N	344.353	-2.423	0	40	EAAB	
Cn1cc(S(=O)(=O)NCCCN2CCCC2=O)c(=O)n(C)c1=O	14099397	MMXVLSGEADNUOM-UHFFFAOYSA-N	344.393	-1.625	0	40	EAAB	
CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(=O)O	253388166	OSDHWYZIXWDLGD-JMJZKYOTSA-N	331.369	-1.396	0	40	EAAB	biogenic,in-vitro
O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3	4097654	VREZDOWOLGNDPW-ALTGWBOUSA-N	325.273	-2.226	0	40	EAAB	biogenic,in-vitro
O=C(O)c1ccccc1C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O	4803791	BFMROEPNVMUGNL-MCSZRVDOSA-N	327.289	-2.086	0	40	EAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)cc1N1CCOCC1	4896188	WPLWAMWABWXDPR-BTQIBKBOSA-N	329.309	-3.015	0	40	EAAB	
CN(C)C[C@H]1CN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CCO1	69847512	SEMZNXRPYFRKTC-ZDUSSCGKSA-N	348.469	-1.647	0	40	EAAB	
CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1cccs1	4337105	XIWIQJVGSHDPMM-QMMMGPOBSA-N	333.391	-1.043	0	40	EAAB	
C[C@@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@H]1N1CCOCC1	76051152	SLMUTGDHAYBZHN-CHWSQXEVSA-N	336.392	-1.274	0	40	EAAB	
CC(=O)N1C[C@@H]2COCCN2C2(C1)CN(C(=O)CCC(=O)O)C2	604382335	OPYQRUYXENNLRV-GFCCVEGCSA-N	325.365	-1.005	0	40	EAAB	biogenic,in-vitro
Nc1c(S(N)(=O)=O)cc(S(N)(=O)=O)cc1S(N)(=O)=O	3953917	JVSIPBVRSZVDHF-UHFFFAOYSA-N	330.369	-2.789	0	40	EAAB	in-vitro
C[C@]1(O)CC[C@H]2C=CO[C@@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21	33986418	OUJVIWOUXFHELC-NPDLCGSQSA-N	348.348	-2.230	0	40	EAAB	
CNC(=O)[C@@H]1CN(CC(=O)N2CCOCC2)CCN(C(C)=O)C1	257265069	LXFISJZQKBQRFW-CYBMUJFWSA-N	326.397	-1.629	0	40	EAAB	
O=C1C[C@@H](C(=O)N[C@H]2CCN(CCN3CCCC3=O)C2)NC(=O)N1	1015770337	OOAGMPPSNLCEEC-QWRGUYRKSA-N	337.380	-1.603	0	40	EAAB	
CNC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1C(=O)NC	2049513481	FGYOREMPAKONCG-NDMGKBMOSA-N	344.324	-3.425	0	40	EAAB	
COCCn1c(N)c(C(=O)CN2CCC(O)CC2)c(=O)[nH]c1=O	28968128	ZGANFYAELNPYOY-UHFFFAOYSA-N	326.353	-1.595	0	40	EAAB	
O=c1[nH]c(=O)n([C@H]2O[C@@H](CF)[C@@H](O)[C@@H]2O)cc1Br	5496717	ONUVAOQZEVZTLW-GCJQMDKQSA-N	325.090	-1.112	0	40	EAAB	
Cc1ncsc1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257231298	GGCBYWLTPZGKTH-KCJUWKMLSA-N	335.407	-1.451	0	40	EAAB	
O=S1(=O)C[C@@H](O)[C@@H](NCCNS(=O)(=O)c2ccccc2)C1	575426609	WUGQYXMBCXRYLK-NWDGAFQWSA-N	334.419	-1.288	0	40	EAAB	
COCc1cn(C[C@H]2C[C@@H](NC(=O)c3cnccn3)[C@H](O)[C@@H]2O)nn1	225499397	QHQWHBLGVLXIGD-IMJCEVDSSA-N	348.363	-1.245	0	40	EAAB	biogenic,in-vitro
OC[C@@H]1O[C@@H](O[C@@H]([C@H](O)CO)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H](O)[C@@H]1O	4537310	VQHSOMBJVWLPSR-AVKVNHHUSA-N	344.313	-5.761	0	40	EAAB	in-man
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	95869894	HLLZGYFHHYGOLN-YKGQKRSMSA-N	326.298	-4.370	0	40	EAAB	
CCSC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	4544083	HMFDVPSBWOHOAP-JGVFFNPUSA-N	335.382	-1.383	0	40	EAAB	
Cn1c(=O)[nH]cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1=O	75172489	CKKNGLJLDYWVBK-UHFFFAOYSA-N	338.345	-1.349	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)cc2o1	3894277	XHCADAYNFIFUHF-URWOTSEESA-N	340.284	-1.323	0	40	EAAB	aggregator,biogenic,in-man
CC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	14555798	ZQLBHQSQMQLFBM-KLVXDSBYSA-N	348.304	-1.551	0	40	EAAB	
C[C@H](CNC(=O)N1CCN(S(C)(=O)=O)CC1)N1CCOCC1	46263930	OFKHXGRCNOBYQA-GFCCVEGCSA-N	334.442	-1.006	0	40	EAAB	
C[C@H]1C[C@@H](N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)C(=O)O1	69950841	YVQOFOIWNLAQEM-QWHCGFSZSA-N	346.453	-1.200	0	40	EAAB	
Cc1n[nH]c(C)c1CC(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257328373	XFIUPIFAGWWGPP-YPMHNXCESA-N	346.409	-1.948	0	40	EAAB	
CCSC(SCC)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4403664	ZSEWRIVLPSASIS-VRGHXPGPSA-N	346.467	-2.024	0	40	EAAB	
CCCN(CC(=O)OC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	32927533	TULNOGPDMDIPMQ-UHFFFAOYSA-N	333.366	-1.342	0	40	EAAB	
NC(=O)C(NC(=O)NC[C@H]([C@@H]1CCOC1)N1CCOCC1)C(N)=O	45440613	OPFXCGXEZBOMAC-NXEZZACHSA-N	343.384	-2.638	0	40	EAAB	
CO[C@@H]1COC[C@H]1n1cc(CNC(=O)N2CCN(C)C(=O)C2)nn1	570099553	ZQRURCGNGPXBMD-VXGBXAGGSA-N	338.368	-1.152	0	40	EAAB	
NC(=O)C(NC(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O)C(N)=O	53301686	DTDHPOFXZPYZBF-ZETCQYMHSA-N	340.286	-1.227	0	40	EAAB	
CCN(C(=O)CNC[C@H]1CN(C)CCO1)[C@@H]1CCS(=O)(=O)C1	69565001	YECOIEKSZIEREN-OLZOCXBDSA-N	333.454	-1.058	0	40	EAAB	
C[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O	40546304	FYLZOACXBMZOBR-SSDOTTSWSA-N	341.345	-1.011	0	40	EAAB	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)cc1F	3875881	HFEKDTCAMMOLQP-RRKCRQDMSA-N	326.173	-1.567	0	40	EAAB	world
Cn1c(=O)c2c(nc(Cl)n2CCCS(N)(=O)=O)n(C)c1=O	57742998	JTUARGJPQZDUMW-UHFFFAOYSA-N	335.773	-1.234	0	40	EAAB	
Cc1ccn(CCC(=O)N2CCN([C@@H]3COC[C@@H](O)[C@H]3O)CC2)n1	643586189	GCSYBHGLLUYYBI-FMKPAKJESA-N	338.408	-1.154	0	40	EAAB	
CS(=O)(=O)N[C@H]1CCCN(C(=O)Nc2cnn(CC(N)=O)c2)C1	65492916	OJOGAFIIFGISPC-VIFPVBQESA-N	344.397	-1.086	0	40	EAAB	
COCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1ccnc1)CO2	2332243090	IOAPIQICJIQQDH-NSHDSACASA-N	329.378	-1.076	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4000495	VJUPMOPLUQHMLE-PXMDKTAGSA-N	346.141	-1.218	0	40	EAAB	
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C	5760138	ZBDWYFKHLXPCPQ-OKZKDYFGSA-N	345.308	-3.187	0	40	EAAB	
COCC(=O)NC[C@]1(O)COCCN(S(=O)(=O)c2cn[nH]c2)C1	257209822	BRZYCXYIWUKDCN-GFCCVEGCSA-N	348.381	-2.076	0	40	EAAB	
O=S1(=O)C[C@@H](O)[C@@H](N(CCO)S(=O)(=O)c2ccccc2)C1	575420294	AGFBZNKXMPKJQN-NWDGAFQWSA-N	335.403	-1.173	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@@H]1O	242463742	DIOIKYCIVSLRPT-GZBLMMOJSA-N	325.317	-1.178	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccccc2C=O)O[C@@H](CO)[C@@H](O)[C@@H]1O	4088065	DIOIKYCIVSLRPT-AHDPXTMNSA-N	325.317	-1.178	0	40	EAAB	
NCC(=O)NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)NCC(=O)O	15721895	QIGNJJXHZZTKQI-QMMMGPOBSA-N	326.313	-3.287	0	40	EAAB	in-vitro
OC[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	253617813	VQHSOMBJVWLPSR-SMLUKNQTSA-N	344.313	-5.761	0	40	EAAB	endogenous,in-man
CS(=O)(=O)N1C[C@@H]2COCCN2C2(CN(C(=O)C3CC3)C2)C1	604382620	VAOHSJXVDJWGPX-GFCCVEGCSA-N	329.422	-1.047	0	40	EAAB	biogenic,in-vitro
Cn1c(C(=O)N2C[C@@H]3OCCN(S(C)(=O)=O)[C@@H]3C2)cccc1=O	1565545685	KRQBURGRGORPHC-NEPJUHHUSA-N	341.389	-1.130	0	40	EAAB	
Cn1c(=O)c2cc(C(=O)NCCc3nc(=O)o[nH]3)n(C)c2n(C)c1=O	515981053	IISDPVGHRODLHP-UHFFFAOYSA-N	348.319	-1.776	0	40	EAAB	
COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(C)=O)CCN1S(C)(=O)=O	5397953	IVHUGQHWXYQBGD-PSASIEDQSA-N	335.382	-1.844	0	40	EAAB	biogenic,in-vitro
CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	5733088	AWBPCEJUIMAFQR-XZVXBHMASA-N	349.384	-3.610	0	40	EAAB	
CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(C)CC1	20465155	BZLXMULDMGBZFN-ZOBORPQBSA-N	330.429	-1.569	0	40	EAAB	biogenic,in-vitro
CN[C@@H]1[C@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@]3(O)O[C@H]2[C@H](NC)[C@@H]1O	71789714	UNFWWIHTNXNPBV-ZGONGJAZSA-N	332.353	-2.926	0	40	EAAB	in-vitro
CNC(=O)[C@H]1CN(C(=O)c2nccn2C)CCN(S(C)(=O)=O)C1	257315872	VDBKYQFQWYEADB-JTQLQIEISA-N	343.409	-1.500	0	40	EAAB	
CN1CCN(C[C@@]2(O)CCN(S(=O)(=O)N3CCOCC3)C2)CC1	257344386	ZXAAJDFQWHXXBA-AWEZNQCLSA-N	348.469	-1.752	0	40	EAAB	
OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	40401145	GUBGYTABKSRVRQ-LJXPPPJUSA-N	342.297	-5.397	0	40	EAAB	biogenic,in-vitro
Cc1ccc(C2=NN[C@@H]([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S2)cc1	4351047	DIXHZOQDZWHDET-MPLKPFFPSA-N	328.390	-1.245	0	40	EAAB	
NS(=O)(=O)CCCOC(=O)C1=CN2CCS(=O)(=O)N=C2C=C1	71914294	XAHDPCIJOKWDNL-UHFFFAOYSA-N	349.390	-1.294	0	40	EAAB	
NCCn1cc(C(=O)N2CC[C@]3(Cc4c(N)nc(N)nc4O3)C2)nn1	257311203	UIJLAAFRXMMLLV-AWEZNQCLSA-N	345.367	-1.589	0	40	EAAB	
Nc1nc(NCC(=O)O)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1	4919396	XYLOQYGJWSRLAS-FOYZEKKQSA-N	340.296	-2.484	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	38599730	GUBGYTABKSRVRQ-HUJJXMMCSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CNC(=O)[C@H]1COC2(CN1CC1CC1)CN(S(=O)(=O)N(C)C)C2	247959538	PXJJLRWDZOMVAU-GFCCVEGCSA-N	346.453	-1.296	0	40	EAAB	
N=C(N)NCCC[C@H](NC(=O)Cc1n[nH]c(=O)[nH]c1=O)C(=O)O	1747590	ITQYDTLSWJXDKT-YFKPBYRVSA-N	327.301	-3.167	0	40	EAAB	
O=S(=O)(O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1OS(=O)(=O)O	13537156	AJBMJMMLWNUEAC-QZABAPFNSA-N	339.300	-3.994	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O	2046931	UDMBCSSLTHHNCD-SXVXDFOESA-N	347.224	-1.863	0	40	EAAB	
C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O	4097487	OVVGHDNPYGTYIT-BNXXONSGSA-N	326.298	-4.370	0	40	EAAB	in-vitro
O=C1NC(=O)C([C@@H]2c3ccccc3O[C@H]3NC(=O)NC(=O)[C@@H]32)C(=O)N1	6243680	XNPQLYJTKLQWNE-DXVIDONBSA-N	344.283	-1.074	0	40	EAAB	
COc1ccc([C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](C)O)cc1	253529624	IBLFDTIZHJLTIF-KPEZFDJTSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
Cc1cc(C(=O)N2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)no1	607853887	HOVXQIHLZCAJSY-VIFPVBQESA-N	330.366	-1.198	0	40	EAAB	
OC[C@@H]1O[C@H](NNC(=S)Nc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O	408723374	UBGNAFIGZJRNHM-NGDQXYMTSA-N	329.378	-1.723	0	40	EAAB	
CNC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1C(=O)NC	2049513482	FGYOREMPAKONCG-QRJYVWJGSA-N	344.324	-3.425	0	40	EAAB	
CNC(=O)[C@@H]1CN(CC2(O)CCOCC2)CCN(S(C)(=O)=O)C1	585263116	MAWYPIBXDCTFLZ-GFCCVEGCSA-N	349.453	-1.533	0	40	EAAB	
CN1CCN(C[C@]2(O)CCN(C(=O)[C@@H]3CCS(=O)(=O)C3)C2)CC1	607854403	VZQSIXYUTCOUFI-UKRRQHHQSA-N	345.465	-1.368	0	40	EAAB	
OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CNC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5201841	KXONZRPGKNOGCG-VIXLETMSSA-N	345.345	-6.552	0	40	EAAB	
C1CNCCOCCNCCNCCNCCOCCNCCN1	22927754	FZKLASLLXQWAPO-UHFFFAOYSA-N	346.520	-2.429	0	40	EAAB	in-vitro
Nc1cnn([C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)c(=O)n1	170607416	JXXIHCTVRGEYLX-RYDUCSDGSA-N	348.315	-1.303	0	40	EAAB	
Cc1cn([C@H]2CN(C(=O)[C@H](N)CCCCN)C[C@@H]2O)c(=O)nc1O	2037819086	OITTWLLFEFQIGL-WOPDTQHZSA-N	339.396	-1.542	0	40	EAAB	
CNC(=O)[C@H]1CN(Cc2cnn(C)c2)CCN(S(C)(=O)=O)C1	257279994	OJBIVEZUEQLUFZ-LBPRGKRZSA-N	329.426	-1.141	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1n1c(=O)oc2ccccc21	35052844	QGEMCCHZKBTJJI-ZSLBOAEBSA-N	338.316	-1.289	0	40	EAAB	
Cn1nc(C(=O)NCCN2CCOCC2)c2c1CCS(=O)(=O)C2	41070482	FFMMNLGXYRGEEE-UHFFFAOYSA-N	342.421	-1.047	0	40	EAAB	
CN1CCN(C[C@]2(O)CCN(S(=O)(=O)N3CCOCC3)C2)CC1	257344387	ZXAAJDFQWHXXBA-CQSZACIVSA-N	348.469	-1.752	0	40	EAAB	
CC(=O)N1CCN(S(=O)(=O)c2cn(C)cn2)C[C@@H](C(N)=O)C1	2037657993	BMFGWTJVKPZJLI-JTQLQIEISA-N	329.382	-1.626	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](COP(=O)(O)O)O1	4531687	PHNGFPPXDJJADG-DSYKOEDSSA-N	332.209	-1.123	0	40	EAAB	biogenic
O=C(CCCn1cccn1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586253	PAFODIXVRWOJON-FMKPAKJESA-N	338.408	-1.072	0	40	EAAB	
COC(=O)c1c(O)cccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	87493006	TWLFBAOUJJRVBT-RRZLQCMWSA-N	330.289	-1.643	0	40	EAAB	endogenous
CCN1CCN(CC(=O)N2CCN(C(C)=O)C[C@H](C(N)=O)C2)CC1	257288623	PUZRXGJPMNGTPV-AWEZNQCLSA-N	339.440	-1.584	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]([C@@H](O)[C@H](O)CO)[C@H](O)CO)[C@@H](O)[C@H](O)[C@H]1O	253617814	VQHSOMBJVWLPSR-USVQFWJSSA-N	344.313	-5.761	0	40	EAAB	endogenous,in-man
CCNc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4963948	DWCPAYYCDOZDBZ-HGOUYRHRSA-N	326.313	-2.255	0	40	EAAB	
COCCN1CCOC[C@]2(C1)CN(S(=O)(=O)N(C)C)CCO2	2055816057	LXOCCNRKGXBCQA-ZDUSSCGKSA-N	337.442	-1.158	0	40	EAAB	
Nc1ncn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c2ncnc1-2	5250138	YXKYJBZIZFOEPY-HUEBKHCJSA-N	347.224	-1.911	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]1O	13518964	UDMBCSSLTHHNCD-FCIPNVEPSA-N	347.224	-1.863	0	40	EAAB	in-vitro
OC[C@H]1O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)[C@@H](O)[C@@H]1O	11582483	BTFFXIPHHREHCW-GCDPNZCJSA-N	337.336	-1.726	0	40	EAAB	
CS(=O)(=O)N1CC(C(=O)N2CC[C@@](O)(CN3CCOCC3)C2)C1	257266947	MFGNWARNYBACCN-CQSZACIVSA-N	347.437	-1.827	0	40	EAAB	
Cn1cncc1CN1CC[C@@](O)(CNC(=O)c2cnccn2)[C@H](O)C1	585261367	VOGZLPGEFQNMRN-GDBMZVCRSA-N	346.391	-1.062	0	40	EAAB	
C[C@H](NC(=O)[C@H](O)C[C@H](N)C(=O)O)C(=O)[C@@H]1[C@H]2CCCC(=O)[C@@H]21	1772591589	HLFBOKDRNZMEAJ-ANDLNFORSA-N	326.349	-1.162	0	40	EAAB	
CNC[C@H](O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cccc(O)c1	22065807	LLVNMYWZQNTXNV-QBOXMOKDSA-N	343.332	-1.439	0	40	EAAB	in-vitro
Cn1ccc(C(=O)N2CC[C@]3(Cc4nn(C)c(=O)c(=O)n4C3)C2)n1	306137717	RDUGXNBIXCXITJ-HNNXBMFYSA-N	330.348	-1.236	0	40	EAAB	
OC[C@H](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	8762126	LSRAJKPAPWYOQO-YJOKQAJESA-N	344.313	-5.761	0	40	EAAB	biogenic
Cn1cc(C(=O)NC2CCN(C(=O)C[C@H]3NC(=O)NC3=O)CC2)cn1	49016214	NNTDYVLBKNJGTA-LLVKDONJSA-N	348.363	-1.261	0	40	EAAB	
CC[C@]1(C)NC(=O)N(NC(=O)CN[C@@H]2CCc3ncnn3C2)C1=O	75603380	BFOUAZDLNJCHCE-OTYXRUKQSA-N	335.368	-1.066	0	40	EAAB	
Cc1ncncc1C(=O)N1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	257300727	RVLVFLHJVNXYQW-SNVBAGLBSA-N	341.393	-1.396	0	40	EAAB	
Cn1nccc1C(=O)N1CC[C@]2(C1)Cn1c(nn(C)c(=O)c1=O)CO2	306135514	OTPLZTAFKWGXAK-HNNXBMFYSA-N	346.347	-1.509	0	40	EAAB	
COc1nc2c(nc(N)n2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5886033	RFZBOQBHSLUDOM-KQYNXXCUSA-N	327.297	-2.668	0	40	EAAB	
COc1nc(CNC(=O)c2cn(C)nn2)nc(N2CCOCC2)n1	575604002	OBHHLAJAYCWBNH-UHFFFAOYSA-N	334.340	-1.225	0	40	EAAB	
CCS(=O)(=O)[C@@H]1C(=O)N(C)[C@H](S(=O)(=O)CC)C(=O)N1C	1563039	AZPLFVZBLTWEMS-NXEZZACHSA-N	326.396	-1.562	0	40	EAAB	
CN[C@@H]1[C@H](O)[C@H]2O[C@H]3O[C@@H](C)CC(=O)[C@]3(O)O[C@@H]2[C@H](NC)[C@@H]1O	71789716	UNFWWIHTNXNPBV-DIIWPAPESA-N	332.353	-2.926	0	40	EAAB	in-vitro
NC(=O)c1csc([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)n1	5461009	XDDGVTBJYGSVPM-VZFHVOOUSA-N	340.250	-1.487	0	40	EAAB	
O=C([C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12)N1CCCCC1	257210982	BWYDWQKYAQWRKF-CBIDHWNRSA-N	346.405	-2.274	0	40	EAAB	
CN1CCN(C[C@]2(O)CCN(C(=O)[C@H]3CCS(=O)(=O)C3)C2)CC1	607854392	VZQSIXYUTCOUFI-DZGCQCFKSA-N	345.465	-1.368	0	40	EAAB	
O=CN(CCO[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1	217395170	MLEMKARNKMEHQD-GHMZBOCLSA-N	325.408	-1.164	0	40	EAAB	
NCCN([C@@H]1CS(=O)(=O)C[C@H]1O)S(=O)(=O)c1ccccc1	575421325	HUZHEPUHWUKYND-VXGBXAGGSA-N	334.419	-1.206	0	40	EAAB	
OC[C@@H]1O[C@H](n2cnc3c(N4CCOCC4)ncnc32)[C@@H](O)[C@@H]1O	4159270	BTFFXIPHHREHCW-ZMZKGCHWSA-N	337.336	-1.726	0	40	EAAB	
OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@]2(O)CO)[C@H](O)[C@@H](O)[C@@H]1O	4262017	SEWFWJUQVJHATO-XAEUGRPDSA-N	342.297	-5.396	0	40	EAAB	
COC1=NC(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)=C(NC(C)=O)CN1C	5602220	RMKNVDKMSJYFMY-DNRKLUKYSA-N	330.341	-2.732	0	40	EAAB	
CC(=O)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@@H]1O	15265529	BSPZZSXFWWMDMA-IZCITBFLSA-N	325.281	-2.116	0	40	EAAB	
OC[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	4537301	VQHSOMBJVWLPSR-PZCBWYSVSA-N	344.313	-5.761	0	40	EAAB	in-man
COCC(=O)NC[C@H]1O[C@@H](CC(=O)NCCN(C)C)[C@H](O)[C@@H]1O	8643736	QROOXJSFOYMSBC-GIFSMMMISA-N	333.385	-2.694	0	40	EAAB	biogenic,in-vitro
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	390822328	GUBGYTABKSRVRQ-WNECYFPASA-N	342.297	-5.397	0	40	EAAB	in-vitro
OC[C@@H]1O[C@](CO)(NNC(=S)Nc2ccccc2)[C@H](O)[C@H]1O	253570909	OFZZPKSOLKXBRK-KQXIARHKSA-N	329.378	-1.721	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253615775	DLRVVLDZNNYCBX-BDDJBHFJSA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cn1c(CN2CCN(C(=O)[C@@H]3CCCO3)CC2)cc(=O)n(C)c1=O	44892670	PZQZXGODJPLXPV-ZDUSSCGKSA-N	336.392	-1.093	0	40	EAAB	
CC(=O)N(CC(=O)O)C[C@@H]1CN(C(=O)[C@@H]2COCCO2)CCO1	681942793	QDLUUQAIAIVOMK-RYUDHWBXSA-N	330.337	-1.438	0	40	EAAB	
C1CN(NP(NN2CCOCC2)NN2CCOCC2)CCO1	1275167	YRNNOOYZZAHDNN-UHFFFAOYSA-N	334.361	-1.276	0	40	EAAB	
CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](C)O)CC1	4318061	VMBSNKLCTUFEHQ-JTQLQIEISA-N	336.396	-1.054	0	40	EAAB	
CC(=O)N1CCN(C[C@@H]2OC[C@H](NC(=O)NC(C)C)[C@H]2O)CC1	514289292	PJAYTTHOYQPWAE-MELADBBJSA-N	328.413	-1.014	0	40	EAAB	biogenic,in-vitro
O=C(CN1CCO[C@H](Cn2cncn2)C1)N[C@H]1CCCCNC1=O	106908102	BHHXHUFPNUZXRU-STQMWFEESA-N	336.396	-1.236	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N2CCCCC2)C[C@H](C(N)=O)C1	257310908	UHCYLWAUQKBGDH-LBPRGKRZSA-N	346.453	-1.322	0	40	EAAB	
CC(C)C(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(=O)CCO)C2)C1	514290103	SYLTUHJRYNFGRM-CHWSQXEVSA-N	325.409	-1.117	0	40	EAAB	biogenic,in-vitro
CSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	3114941	VEABMYFEYLXTSD-GFRUICAKSA-N	329.338	-1.965	0	40	EAAB	
COCCO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(N)nc(N)nc32)[C@@H]1O	35569337	CUAPZJHEUMOFCW-WOUKDFQISA-N	340.340	-1.727	0	40	EAAB	
OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	21984931	GUBGYTABKSRVRQ-LVIVMJSQSA-N	342.297	-5.397	0	40	EAAB	in-vitro
Cn1ccnc1S(=O)(=O)C1CN(C(=O)Cn2ncccc2=O)C1	585322755	CVVQXSKDIYUFGF-UHFFFAOYSA-N	337.361	-1.339	0	40	EAAB	
Cn1c(NC[C@@H](O)CN2CCCC2=O)nc2c1c(=O)[nH]c(=O)n2C	71841018	YDPAVMXBRZPWNM-MRVPVSSYSA-N	336.352	-1.645	0	40	EAAB	
NC(=O)C(NC(=O)NCc1ccccc1Cn1cncn1)C(N)=O	71887474	LTELMGNDOXYZHD-UHFFFAOYSA-N	331.336	-1.535	0	40	EAAB	
N[C@@H]1[C@@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@@H](N)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O	2060993441	QLTSDROPCWIKKY-VZGRRIPQSA-N	340.329	-5.464	0	40	EAAB	
CCNc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4963950	DWCPAYYCDOZDBZ-PERBPWGJSA-N	326.313	-2.255	0	40	EAAB	
Nc1ncn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2ncnc1-2	5250137	YXKYJBZIZFOEPY-WDHZHIADSA-N	347.224	-1.911	0	40	EAAB	
CCOCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](Cn1cncn1)CO2	2332242990	AYVZAPHJKVHPFR-NSHDSACASA-N	344.393	-1.291	0	40	EAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O	13481491	JYFOSWJYZIVJPO-WRYZSIRCSA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)[nH]1	8655930	YUYHWVWEDABSBD-LFRLGQHFSA-N	344.349	-2.186	0	40	EAAB	
COCCn1c(N(CCO)CCO)nc2c1c(O)nc(=O)n2C	618257161	SSAUNNPQLCSITP-UHFFFAOYSA-N	327.341	-1.727	0	40	EAAB	
CC(C)CS[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)n1ccc(N)nc1=O	5191220	BOCWEHLPQIUFCU-HKWIRBFKSA-N	333.410	-1.212	0	40	EAAB	
Cn1c(CN2CCCC[C@H]2CNS(C)(=O)=O)cc(=O)n(C)c1=O	40511268	GTVYUTWTONOHAZ-NSHDSACASA-N	344.437	-1.012	0	40	EAAB	
NC(=O)c1cn([C@@H]2OC(CO)=C(O)[C]2O)c2ncnc(N)c2c1=O	1560405165	GETXXMXDLIPRFY-CYBMUJFWSA-N	334.268	-1.332	0	40	EAAB	
O=S(=O)(N1CCOCC1)N1CC[C@@](O)(CN2CCOCC2)C1	257211596	BZMGEAHFLASNQZ-CYBMUJFWSA-N	335.426	-1.668	0	40	EAAB	
CC(=O)N1CCN(S(=O)(=O)N2CCOCC2)C[C@H](C(N)=O)C1	257235407	GXRYUEBNCJBYLL-LLVKDONJSA-N	334.398	-2.171	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	1857776326	HDTRYLNUVZCQOY-CRXAMFQNSA-N	342.297	-5.397	0	40	EAAB	
Cc1nnc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)n(N)c1=O	9442619	NZYZHOMONCFVIC-SSDOTTSWSA-N	333.395	-1.944	0	40	EAAB	
COc1cc(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O	49176730	VZSGMNVXQXYFPI-NBRWMIFNSA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
CC(=O)N[C@@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@H]1O	216304924	AVCNXSQPUQMVNJ-QMVSFRDZSA-N	340.332	-1.260	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CN(C(=O)Cc2ccccc2F)C[C@H]1O	257251972	JTCDVEXCSRKWGN-OCCSQVGLSA-N	346.380	-1.148	0	40	EAAB	
NC(=O)C(NC(=O)NCc1ccccc1CN1CCOCC1)C(N)=O	29338575	KMEGQJKOVBNCSK-UHFFFAOYSA-N	349.391	-1.343	0	40	EAAB	
COc1ccnc(N2CCN(C(=O)C[C@@H]3NC(=O)NC3=O)CC2)n1	57253895	GUBTXPGIPREUSW-VIFPVBQESA-N	334.336	-1.268	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2OC=C[C@H]3[C@@H](O)C[C@@H](CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O	245224236	SXPWHBXTTWFWMH-SPSJKKBSSA-N	348.348	-2.722	0	40	EAAB	
CNC(=O)[C@H]1COC2(CN1C)CN(S(=O)(=O)c1cccnc1)C2	248080233	OUMGVPKEGQEZNX-GFCCVEGCSA-N	340.405	-1.099	0	40	EAAB	
CC(=O)N1CCN(C[C@@H]2OC[C@H](NCc3nccn3C)[C@H]2O)CC1	514289342	QSQSERWAZQHYQJ-OFQRWUPVSA-N	337.424	-1.198	0	40	EAAB	biogenic,in-vitro
O=C1CN(C[C@@]2(O)CCN(C(=O)Cc3ccccc3)C[C@@H]2O)CCN1	585286331	YZAYXYDLRUQOBD-YJBOKZPZSA-N	347.415	-1.015	0	40	EAAB	
COc1nc(O)c(C(C)=O)c(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)n1	17175071	WSXCNSWFRVAPEM-WCPLEAOBSA-N	345.308	-2.395	0	40	EAAB	
CN1CCN([C@@H]2CN(S(=O)(=O)N3CCOCC3)C[C@H]2O)CC1	257249335	JHTZEHBQWHSHMF-CHWSQXEVSA-N	334.442	-2.144	0	40	EAAB	
NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)c1ccc(=O)n(CC(N)=O)c1	257274817	NMTVGLKBEWZVHP-MNOVXSKESA-N	335.364	-1.859	0	40	EAAB	
CC(=O)NCC(=O)N1CC[C@@]2(CCCN2S(C)(=O)=O)[C@@H](O)C1	257340584	ZGUASPDDULWPPM-AAEUAGOBSA-N	333.410	-1.490	0	40	EAAB	
O=C1N[C@H](CN2CCC[C@H](O)C2)C(=O)N[C@@H]1CN1CCC[C@H](O)C1	5385087	DSJUHUOKWQTIBM-IGQOVBAYSA-N	340.424	-2.117	0	40	EAAB	
N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2N)[C@@H]1O	43758958	QLTSDROPCWIKKY-OUEGHFHCSA-N	340.329	-5.464	0	40	EAAB	
CC(=O)[C@@H](O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@]2(O)C(C)(C)[C@@]12O	64033468	VXSNHMOAIXMREN-ZBDYHWHTSA-N	349.347	-1.242	0	40	EAAB	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1C[C@@H]1C(=O)OC	72296333	PAMFBCKUFAPQLG-VWYCJHECSA-N	346.405	-1.053	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2[C@@H]3CS[C@H](O3)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O	104202205	JZYBVBYQKHRNFI-AWIOKBHSSA-N	340.350	-3.635	0	40	EAAB	
CC(=O)N1CCN(CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)CC1	65423914	FPFONZZHCZNPPM-ZDUSSCGKSA-N	346.453	-1.021	0	40	EAAB	
C[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@@H]1N(C)C	78896424	FVQFQLRUKYXOGT-QWRGUYRKSA-N	348.407	-1.158	0	40	EAAB	
C[C@H](NC(=O)[C@H](O)C[C@H](N)C(=O)O)C(=O)[C@@H]1[C@H]2CCCC(=O)[C@H]21	1772591590	HLFBOKDRNZMEAJ-PJZSQETLSA-N	326.349	-1.162	0	40	EAAB	
C[C@@]1(O)[C@](C)(n2cnc3c(N)nc(N)nc32)O[C@](C)(CO)[C@]1(C)O	12358657	VQFFXQYSVFFNFX-ZOBORPQBSA-N	338.368	-1.053	0	40	EAAB	
CC(=O)O[C@H]1[C@H](OC(C)=O)N([N+](=O)[O-])c2nonc2N1[N+](=O)[O-]	16321633	OJDKQXIGHQTKGS-YUMQZZPRSA-N	332.185	-1.142	0	40	EAAB	
Cc1cc(N(C)C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)n2ncnc2n1	247983914	KCMFHMJZADBZKN-QSFUFRPTSA-N	327.341	-2.695	0	40	EAAB	
NC(=O)C(=CNC(=S)Nc1ccc(S(N)(=O)=O)cc1)C(N)=O	1636745	CYFDMBRLMKKFJK-UHFFFAOYSA-N	343.390	-1.525	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1C(=O)O	5197075	CPWDQTVVDKAHLL-AIUMHDJVSA-N	341.316	-1.293	0	40	EAAB	
Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)c(=O)n1	54979044	JXXIHCTVRGEYLX-FOUMNBMASA-N	348.315	-1.303	0	40	EAAB	
CNC(=O)[C@H]1CN(C(C)=O)CCN(C(=O)CNS(C)(=O)=O)C1	257270229	MTGLHCDCVSPTBS-JTQLQIEISA-N	334.398	-2.412	0	40	EAAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@H]3O[P@](=O)(O)O[C@H]32)c(=O)[nH]1	4545951	UASRYODFRYWBRC-HAVMAKPUSA-N	345.208	-1.524	0	40	EAAB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5411527	KJQANYPAJANIAC-GXPBHXMZSA-N	329.393	-1.493	0	40	EAAB	
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	5713013	YNVFTKSNADSCEO-GPUHXXMPSA-N	345.377	-1.444	0	40	EAAB	
COCCNC(=O)C[C@@H]1O[C@H](CNC(=O)NC(C)C)[C@@H](O)[C@H]1O	8624485	LYANBPICHGVJHE-JULQROHOSA-N	333.385	-1.664	0	40	EAAB	biogenic,in-vitro
CC(C)NC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N(C)CCN(C)C	20464961	DGJMLMRTKUAXLX-ZOBORPQBSA-N	332.445	-1.323	0	40	EAAB	biogenic,in-vitro
Cn1c(N)c(C(=O)COC(=O)c2cc(O)ccc2N)c(=O)n(C)c1=O	3346658	FKRIZEGLGOEJAH-UHFFFAOYSA-N	348.315	-1.006	0	40	EAAB	
CC(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1	4523470	IPROLSVTVHAQLE-LARJDALCSA-N	327.289	-1.084	0	40	EAAB	
COc1ccccc1CN(CC(=O)NC(N)=O)CC(=O)NC(N)=O	32831216	GFPVQBWCKPAKBD-UHFFFAOYSA-N	337.336	-1.113	0	40	EAAB	
OC[C@H]1O[C@H](OC[C@@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	64219257	PVXPPJIGRGXGCY-HWWDHMSDSA-N	342.297	-5.396	0	40	EAAB	
CCOC(=O)/C=C/c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)nc1O	1987974916	ATSFSUUXRHMGQU-BGFIHSBQSA-N	342.304	-1.863	0	40	EAAB	
CCc1nn(C)c(Cl)c1C(=O)NC[C@@H](CO)NC(=O)C(N)=O	1511120522	WKLFSWRBZUNEIE-LURJTMIESA-N	331.760	-1.672	0	40	EAAB	
O=S(=O)(O)C1C[C@H](S(=O)(=O)O)N[C@@H](S(=O)(=O)O)C1	5496340	TWCKTOPIQHDKGX-WHFBIAKZSA-N	325.342	-1.946	0	40	EAAB	
O=C1NC(=O)C([C@@H]2c3ccccc3O[C@@H]3NC(=O)NC(=O)[C@H]32)C(=O)N1	16524540	XNPQLYJTKLQWNE-HBSDOPKDSA-N	344.283	-1.074	0	40	EAAB	
CC(=O)N1CCN(CC(=O)c2c(N)n(C3CC3)c(=O)[nH]c2=O)CC1	40477266	SSOAYABXIJEPIW-UHFFFAOYSA-N	335.364	-1.200	0	40	EAAB	
CC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC(N)=O	48990313	KKUKNLCXZZWPMR-UHFFFAOYSA-N	325.350	-1.400	0	40	EAAB	
NC(=O)C(NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1)C(N)=O	53301714	KZPWRBAEBPLWBB-LURJTMIESA-N	340.286	-1.227	0	40	EAAB	
Cn1cc(C(=O)N2CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C2)cn1	257261556	LHVAKQYDTLLQDN-JTQLQIEISA-N	329.382	-1.761	0	40	EAAB	
COc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)n1C	5760136	ZBDWYFKHLXPCPQ-VPWVSVFPSA-N	345.308	-3.187	0	40	EAAB	
CC1(C)O[C@@H]2[C@@H](CS(C)(=O)=O)O[C@H](n3ncc(=O)[nH]c3=O)[C@@H]2O1	6015235	WJOLFGCXPCLESC-QQRDMOCMSA-N	347.349	-1.606	0	40	EAAB	
Cc1ncc(C(=O)N2C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C2)cn1	257203169	AOXUXIKTSMORII-PWSUYJOCSA-N	330.366	-2.118	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)C2CCOCC2)C[C@H]1O	257299040	ROLLRTKUFWIYLT-DGCLKSJQSA-N	336.410	-1.714	0	40	EAAB	
O=S1(=O)C[C@H]2NC(=S)N(c3nc(O)c4nc[nH]c4n3)[C@H]2C1	575422495	NBQRBMIUKHXNAA-UHNVWZDZSA-N	326.363	-1.081	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)OCCO)[C@@H](O)[C@@H]1O	4774222	ZSWSWPYKBOZWGV-LITAXDCLSA-N	325.281	-2.437	0	40	EAAB	in-vitro
COc1cc(CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc(OC)c1O	49176732	VZSGMNVXQXYFPI-URWOTSEESA-N	346.332	-1.274	0	40	EAAB	biogenic,in-vitro
NC(=S)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	4822743	XZOKDXWQSCIKCM-FMRNTLLBSA-N	325.350	-1.741	0	40	EAAB	
COC(=O)Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2OC)c(=O)[nH]c1=O	34363769	XOTXNXXJZCFUOA-UGKPPGOTSA-N	330.293	-2.482	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	72283166	GUBGYTABKSRVRQ-ATHKHPMCSA-N	342.297	-5.397	0	40	EAAB	in-vitro
CC(=O)N1C2C3N(C(C)=O)[C@H]4N[C@@H]1[C@@H](N[C@@H]4N3C(C)=O)N2C(C)=O	101421822	HVYHGOIMTRVUCH-UGEYFSKZSA-N	336.352	-2.429	0	40	EAAB	
COCc1cn(C[C@H]2C[C@@H](NC(=O)c3cncnc3)[C@H](O)[C@@H]2O)nn1	225499795	SNKQXYQYJZXFJF-JXJLXUTGSA-N	348.363	-1.245	0	40	EAAB	biogenic,in-vitro
O=C(NC[C@]1(O)CCN(c2ccncn2)C[C@H]1O)c1cnccn1	257321893	WDSPNVTYNDBQBQ-IUODEOHRSA-N	330.348	-1.001	0	40	EAAB	
Cn1cnc(C(=O)N2CC[C@@H]3OCCN(S(C)(=O)=O)[C@H]3C2)n1	1565551452	QUTZAZWSNGZQKV-UWVGGRQHSA-N	329.382	-1.310	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccccc1C=O	13382194	DIOIKYCIVSLRPT-MRLBHPIUSA-N	325.317	-1.178	0	40	EAAB	
Cn1nnc(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)n1	54546	FETPYFHCFNJXLV-UHFFFAOYSA-N	333.356	-1.265	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1OC2=O	3871711	YWJXCIXBAKGUKZ-IRYWKEIJSA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
COC(=O)NCC(=O)N1CCC[C@@H](C(=O)NCCNC(C)=O)C1	1527052628	QGQFNHVPVWQWOV-LLVKDONJSA-N	328.369	-1.167	0	40	EAAB	
COCCNC(=O)NC(=O)Cn1nnc(-c2ccc(C(N)=O)cc2)n1	12994183	XSYXOQFAFWYQRY-UHFFFAOYSA-N	347.335	-1.089	0	40	EAAB	
COC(=O)C[C@@H]1C(=O)NCCN1Cc1nc2c(cnn2C)c(=O)[nH]1	65415461	XWRUOCIOTVZNMX-SECBINFHSA-N	334.336	-1.480	0	40	EAAB	
CC(=O)N1CCN(CCNC(=O)NC[C@H]2CCS(=O)(=O)C2)CC1	89954510	MZDQWOQJXXIRHV-CYBMUJFWSA-N	346.453	-1.116	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@](O)(CO)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O	1529018664	JCQLYHFGKNRPGE-PRCVIGSKSA-N	342.297	-5.396	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	3201891	UDMBCSSLTHHNCD-PERBPWGJSA-N	347.224	-1.863	0	40	EAAB	in-vitro
CC1(C)CC(=O)C=C(CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1CO	14860171	XBRXLXOCHNGHBC-SAAWNECCSA-N	346.376	-1.663	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	19312824	RNZZLJJRTGHUGN-YOWKNKFQSA-N	330.381	-3.025	0	40	EAAB	
C[C@H](CO)Oc1nc(N)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1	77300688	DPRKTPGJARCDPS-BZNPZCIMSA-N	325.325	-1.191	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)Cn2nc3n(c2=O)CCCC3)CC1	83984946	CNBXVNYUMVKHRU-UHFFFAOYSA-N	343.409	-1.515	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	17106922	ONFXBIPJPAWLNU-DTITTZBUSA-N	337.336	-1.669	0	40	EAAB	biogenic
COc1cc(C(=O)O)ccc1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	13481492	JYFOSWJYZIVJPO-HXNLIRTISA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
CC(=O)NCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1	22758667	PQRYWRVIJMTOJG-UHFFFAOYSA-N	344.393	-1.099	0	40	EAAB	
CS(=O)(=O)NC[C@H]1CCCN(C(=O)Cn2nc(O)ccc2=O)C1	48353628	HNIIKSOGXCJCOT-SNVBAGLBSA-N	344.393	-1.263	0	40	EAAB	
O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	100096885	PUVHMWJJTITUGO-ZSIQDKGESA-N	340.114	-3.601	0	40	EAAB	in-vitro
CC1(C)O[C@H]2[C@H](O1)[C@H](n1ncc(O)nc1=O)O[C@H]2CS(C)(=O)=O	253501162	WJOLFGCXPCLESC-QRYDPKPESA-N	347.349	-1.194	0	40	EAAB	
Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H]3O[P@](=O)(O)O[C@H]32)c(=O)[nH]1	4097050	UASRYODFRYWBRC-UUOKFMHZSA-N	345.208	-1.524	0	40	EAAB	endogenous,in-man
CSCC[C@@H](NC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)O	4530270	IJIGIXPOPAELGH-JGKVKWKGSA-N	327.355	-3.255	0	40	EAAB	
CNC(=O)[C@H]1CCCCN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	30339029	XTOQIHWOIPTWDB-SECBINFHSA-N	344.393	-1.627	0	40	EAAB	
COCC(=O)N1CCN(C(=O)C2CCNCC2)C[C@H]1C(=O)OC	4270683	XRLOXVXAHIXBQQ-LBPRGKRZSA-N	327.381	-1.155	0	40	EAAB	biogenic,in-vitro
CN(C)CCC(=O)N[C@]1(C)CS(=O)(=O)C[C@H]1S(=O)(=O)O	4771239	GSEWBNLFBWFHMC-PSASIEDQSA-N	328.412	-1.502	0	40	EAAB	
CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1O	6932857	ZUPSABSQBFCIOU-OSUGMJTISA-N	340.325	-3.716	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(C(=O)Cn2ccc(=O)[nH]c2=O)CC1	25739060	XTWLRSMXBOHIAX-UHFFFAOYSA-N	345.381	-2.513	0	40	EAAB	
OCC1=C[C@@H](O)[C@@H]2C=CO[C@H]([C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@H]12	5051733	CCPQRXZQVYHQNX-DEDRNCMTSA-N	330.333	-2.733	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1OP(=O)(O)O	44960119	QDFHPFSBQFLLSW-XJCFNFQFSA-N	347.224	-1.863	0	40	EAAB	
NC(=O)NC(=O)CSc1nnc(CCn2ccc(=O)[nH]c2=O)o1	71195237	JJUFOOQAQVOCDX-UHFFFAOYSA-N	340.321	-1.551	0	40	EAAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](CO)O[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	248006438	HLLZGYFHHYGOLN-JUGVGIJWSA-N	326.298	-4.370	0	40	EAAB	in-vitro
O=c1ccc2cc(C[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc2o1	390822454	YRABYCJKUBFWQY-FHXAZYNBSA-N	338.312	-1.117	0	40	EAAB	
CC(C)(C)OC(=O)NCC(=O)OC[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	70665126	JCDVXIPESUHXEV-QXFVGKKJSA-N	337.325	-2.146	0	40	EAAB	biogenic
CS(=O)(=O)N1CCN(C(=O)C2CCOCC2)C[C@H](C(N)=O)C1	257221658	DQAFQRWVOTZABN-NSHDSACASA-N	333.410	-1.382	0	40	EAAB	
CCO[C@@H]1O[C@H](COC(=O)[C@@H](O)CC(=O)OC)[C@@H](O)[C@H](O)[C@H]1O	1549184289	QQNSWUUBBDRRGR-HDALZZAZSA-N	338.309	-2.702	0	40	EAAB	
COc1cc(Cl)ccc1NC(=O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	1740933	RHDMYECHWJGGSI-HKWIRBFKSA-N	335.740	-1.277	0	40	EAAB	
COc1ccc([C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)cc1	253529625	IBLFDTIZHJLTIF-QJTLGEBBSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
CC(=O)N1CCC(N2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)CC1	1848353131	YICJFWXXRRHYCW-GFCCVEGCSA-N	346.453	-1.324	0	40	EAAB	
O=C(NCCOCCN1C(=O)CCC1=O)N[C@H]1CCS(=O)(=O)C1	1775972716	SEXUNUVCDJDPFT-JTQLQIEISA-N	347.393	-1.362	0	40	EAAB	
CN(C)S(=O)(=O)c1ccc(NCCO)c(C(=O)OCC(N)=O)c1	9221320	GAGCCMRTOCMIAB-UHFFFAOYSA-N	345.377	-1.017	0	40	EAAB	
NC(=O)C(NC(=O)NCc1cccc(CN2CCOCC2)c1)C(N)=O	72002667	IRPIKZATYFVYHW-UHFFFAOYSA-N	349.391	-1.343	0	40	EAAB	
O=C(NCCOCCN1C(=O)CCC1=O)N[C@@H]1CCS(=O)(=O)C1	1775972717	SEXUNUVCDJDPFT-SNVBAGLBSA-N	347.393	-1.362	0	40	EAAB	
COC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O	4370925	VGWMLHFATSCHAM-UHFFFAOYSA-N	337.336	-1.557	0	40	EAAB	
CC[C@H](CO)NS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C	95986810	FGIDWGVGYCFTBD-SSDOTTSWSA-N	328.350	-1.329	0	40	EAAB	
CC(=O)NC[C@H]1C(=O)N2C[C@@H](NC(C)=O)C[C@H]2CN1Cc1ncc[nH]1	2332242039	VYLBYDQBHMODSM-IHRRRGAJSA-N	348.407	-1.164	0	40	EAAB	
CC(=O)N1CCN([C@@H]2CN(S(=O)(=O)c3cn[nH]c3)C[C@H]2O)CC1	257242765	IEARFJKXQIMHHJ-CHWSQXEVSA-N	343.409	-1.692	0	40	EAAB	
CN(C)S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1	58330814	XBBNYULOVQUAIX-UHFFFAOYSA-N	342.425	-1.089	0	40	EAAB	
CC1(C)O[C@H]2[C@@H](O1)[C@@H](C(=O)NCC(N)=O)O[C@@H]1OC(C)(C)O[C@H]21	4042295	ZNMJIWKPLYNJEA-KZFLBEFCSA-N	330.337	-1.016	0	40	EAAB	biogenic
N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](N)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O	4535920	QLTSDROPCWIKKY-JRXDFFKRSA-N	340.329	-5.464	0	40	EAAB	biogenic
NC(=S)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c(=O)c12	4963049	BVSMGATZUKRHIJ-FMRNTLLBSA-N	326.334	-2.030	0	40	EAAB	
NCCC(=O)N1C[C@H](O)[C@@H](n2cc(Br)c(O)nc2=O)C1	257210642	BVOVBEWAJPAIOV-YUMQZZPRSA-N	347.169	-1.196	0	40	EAAB	
CSCC[C@H](C(=O)O)N(C[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)N=O	5812405	SRNXMKFKDGBPJW-UEWQFTGXSA-N	340.354	-2.022	0	40	EAAB	
CNC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1C(=O)NC	9349798	FGYOREMPAKONCG-OOYDISJYSA-N	344.324	-3.425	0	40	EAAB	
COC(=O)[C@@H]1O[C@@H](O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	15206653	CLHFNXQWJBTGBL-ZZZDWPBISA-N	334.277	-1.328	0	40	EAAB	
CS(=O)(=O)NCCc1ccc(C(=O)NC(C(N)=O)C(N)=O)cc1	22877593	FECWIEONLYAGND-UHFFFAOYSA-N	342.377	-2.153	0	40	EAAB	
CCN(CC)C(=O)CN1CCN(CC(=O)NCC(=O)OC)CC1	23268477	REKCWXYBFYYYEU-UHFFFAOYSA-N	328.413	-1.238	0	40	EAAB	
CNC[C@H](O)c1cccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c1	39937399	DMVJUYDQYGHJIC-QBOXMOKDSA-N	343.332	-1.790	0	40	EAAB	in-vitro
N[C@@H]1[C@H](O)O[C@@H](CO)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2N)[C@@H]1O	43758959	QLTSDROPCWIKKY-BKWOQTGCSA-N	340.329	-5.464	0	40	EAAB	
Cn1c(=O)[nH]c(=O)c2ccc(C(=O)N3CCC(C(N)=O)CC3)nc21	44911701	YHLSPCZKJQZXNC-UHFFFAOYSA-N	331.332	-1.041	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O	1317724	VJUPMOPLUQHMLE-ICKFSKTQSA-N	346.141	-1.218	0	40	EAAB	
Cc1ccc(C2=NN[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)S2)cc1	4351043	DIXHZOQDZWHDET-SKENRDBWSA-N	328.390	-1.245	0	40	EAAB	
CC(=O)N[C@H](C)C(=O)N[C@H]1[C@@H](C)OC(=O)C2=C(O)C[C@@H](O)[C@@H](O)[C@H]21	104135738	NJJYAZPQTKXTOQ-ZBABFGSDSA-N	342.348	-1.505	0	40	EAAB	
COCCC(=O)N1CC[C@](O)(CNC(=O)[C@H]2CCN(C)C2=O)C1	1040614198	VKASHUJJRLXKHL-ABAIWWIYSA-N	327.381	-1.419	0	40	EAAB	
CCN(CC)CCn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O	485703	MTIAAZFBFDTPDE-NSHDSACASA-N	339.396	-1.408	0	40	EAAB	biogenic
Cn1c(=O)c2c(ncn2CCS(=O)(=O)CCC(N)=O)n(C)c1=O	12810889	PVVFRAMNUFWYOK-UHFFFAOYSA-N	343.365	-2.276	0	40	EAAB	
Nc1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(Br)nc1-2	103046817	LTPDBNBCLYIPDB-PXMDKTAGSA-N	346.141	-1.266	0	40	EAAB	
CN1CCN(C[C@@]2(O)CCN(S(=O)(=O)c3cn[nH]c3)C2)CC1	257335975	YMQDGICCMOKDSF-ZDUSSCGKSA-N	329.426	-1.217	0	40	EAAB	
O=C(O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1	4095572	JOUIQRNQJGXQDC-ZYUZMQFOSA-O	336.213	-1.599	0	40	EAAB	in-man,metabolite
OCC1=C[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	4268259	RJWJHRPNHPHBRN-GHXZNZEQSA-N	346.332	-2.802	0	40	EAAB	in-man
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1O	12502832	GNZLUJQJDPRUTD-UHTZMRCNSA-N	346.325	-2.752	0	40	EAAB	in-vitro
Cn1ncc2c(=O)n(CC(=O)N[C@@]3(C)CCS(=O)(=O)C3)cnc21	40463384	CSJYHRDIMPAKNM-ZDUSSCGKSA-N	339.377	-1.177	0	40	EAAB	
O=S1(=O)C[C@@H](NCCNS(=O)(=O)c2ccccc2)[C@@H](O)C1	575426608	WUGQYXMBCXRYLK-NEPJUHHUSA-N	334.419	-1.288	0	40	EAAB	
O=c1[nH]cc(NC(=S)N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1	35878009	FYJOXXMQCPXOJZ-MNDKRXPHSA-N	348.337	-3.851	0	40	EAAB	
CCc1nc(CN2CCN(C(=O)Cn3ncn(C)c3=O)CC2)no1	95456875	UXRZCTGVGRVIFY-UHFFFAOYSA-N	335.368	-1.128	0	40	EAAB	
NC(=S)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12	4822746	XZOKDXWQSCIKCM-QNQPIPONSA-N	325.350	-1.741	0	40	EAAB	
OC[C@@H]1O[C@](CO)(NNC(=S)Nc2ccccc2)[C@@H](O)[C@@H]1O	5338402	OFZZPKSOLKXBRK-NOHGZBONSA-N	329.378	-1.721	0	40	EAAB	
Cc1cn2c(=O)c3ncn([C@H]4O[C@@H](CO)[C@@H](O)[C@@H]4O)c3n(C)c2n1	5504168	JCZSFCLRSONYLH-DTITTZBUSA-N	335.320	-1.697	0	40	EAAB	
CN1CCN(C(=O)[C@H]2C[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]2O3)CC1	107264437	CZYCNULWTSWPKK-RWMBFGLXSA-N	346.453	-1.344	0	40	EAAB	
C[C@]1(O)CC[C@H]2C=CO[C@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21	2060990646	OUJVIWOUXFHELC-JOYMOMKJSA-N	348.348	-2.230	0	40	EAAB	
Nc1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2nc(Br)nc1-2	1720022	LTPDBNBCLYIPDB-HFXAWCPLSA-N	346.141	-1.266	0	40	EAAB	
CS(=O)(=O)NC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O	4824166	VVVQNXIPTOHGCZ-IZCITBFLSA-N	344.353	-2.423	0	40	EAAB	
CN1CCN(CCCNC(=O)C(=O)Nc2c[nH]c(=O)[nH]c2=O)CC1	20713856	IBNHQEOBBLFNLO-UHFFFAOYSA-N	338.368	-2.245	0	40	EAAB	
COc1ccc([C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)O)cc1	253529622	IBLFDTIZHJLTIF-CVRTUJKGSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
CC(C)(C)OC(=O)N1CC(NC(=O)[C@H]2COCCO2)(C(N)=O)C1	585079464	OIYYJEXTUPPRTF-SECBINFHSA-N	329.353	-1.007	0	40	EAAB	
O=C1[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C(=O)N1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](O3)[C@@H]2C1=O	106601079	ACOHYWQXMGRSAG-WTZPKTTFSA-N	328.280	-1.222	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(C)=O)CCN(C(=O)CNS(C)(=O)=O)C1	257270230	MTGLHCDCVSPTBS-SNVBAGLBSA-N	334.398	-2.412	0	40	EAAB	
OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	599389312	GUBGYTABKSRVRQ-FPISPMDTSA-N	342.297	-5.397	0	40	EAAB	
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	4095711	DLRVVLDZNNYCBX-ONPLHCRPSA-N	342.297	-5.397	0	40	EAAB	in-vitro
COC(=O)C(C(=O)OC)=c1sc(=C(C(=O)OC)C(=O)OC)s1	4666692	HPLVTCGKWSHTPI-UHFFFAOYSA-N	348.354	-1.197	0	40	EAAB	
O=C(O)CCC(=O)N[C@@H]1C[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@H]1O	257255147	KGIFZIUWYVCOCS-RQJHRRTKSA-N	327.293	-2.035	0	40	EAAB	
CN(C)CCCNc1c(NC[C@H](O)CN2CCOCC2)c(=O)c1=O	101688318	GNFITMIFVVGUEX-LBPRGKRZSA-N	340.424	-1.249	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	155651	XHCADAYNFIFUHF-XKNKYKOPSA-N	340.284	-1.323	0	40	EAAB	aggregator,endogenous,in-man
O=C1C=CC(=O)N1[C@H](O)COCCOC[C@@H](O)N1C(=O)C=CC1=O	113434413	MNEYVUUWQVAEHQ-ZIAGYGMSSA-N	340.288	-2.494	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)NC2CCN(CC(N)=O)CC2)CC1	48265378	YJPLXUVUHTZDCX-UHFFFAOYSA-N	347.441	-1.777	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@H]1O	1842158	UDMBCSSLTHHNCD-CMEPRQAFSA-N	347.224	-1.863	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@H]2O[C@@](O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	64219256	PVXPPJIGRGXGCY-LBEANETNSA-N	342.297	-5.396	0	40	EAAB	
CCCCN1C(=O)C(=O)N(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1=O	5568790	AXPSDRGCSPNKJW-SECBINFHSA-N	345.377	-1.119	0	40	EAAB	
CSc1nc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C	5760808	NFXVNBXONQDRNM-FDDDBJFASA-N	331.350	-1.834	0	40	EAAB	
O=C(NC[C@]1(O)CCN(c2cnccn2)C[C@H]1O)c1cnccn1	257259153	KXCKFDJCXGVGLX-IUODEOHRSA-N	330.348	-1.001	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	216303644	ZZGOODZEYMETHT-KDBYPZKRSA-N	341.316	-1.293	0	40	EAAB	
Cn1cccc1C(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCOCC1	20464853	XHDQNDXDBWHMKL-CBBWQLFWSA-N	339.392	-1.424	0	40	EAAB	biogenic,in-vitro
COc1c(O)cc2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	36383807	YWJXCIXBAKGUKZ-XODUHIJJSA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
C[C@H](CN1CCOCC1)NC(=O)N1CCN(S(C)(=O)=O)CC1	46481170	CTWGEHDSGCCLOJ-GFCCVEGCSA-N	334.442	-1.006	0	40	EAAB	
C[C@@]1(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)CCS(=O)(=O)C1	5677699	OWUUFSYKDYROKF-DTWKUNHWSA-N	331.437	-1.330	0	40	EAAB	
CC(C)(C)OC(=O)NCC(=O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	36367412	JCDVXIPESUHXEV-IIALBSNWSA-N	337.325	-2.146	0	40	EAAB	biogenic
Nc1cnn([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@H](O)[C@@H]2O)c(=O)n1	54979042	JXXIHCTVRGEYLX-LPTSXCQYSA-N	348.315	-1.303	0	40	EAAB	
CN(C)C(=O)COc1cc(C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1C	57312635	XBIKPYRBIFMMIV-SECBINFHSA-N	344.393	-1.196	0	40	EAAB	
COc1ccc([C@H](CC(=O)NC(C(N)=O)C(N)=O)NC(C)=O)cc1	71838227	VCDKVKUZIDTHKZ-NSHDSACASA-N	336.348	-1.282	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4896250	VEABMYFEYLXTSD-PXMDKTAGSA-N	329.338	-1.965	0	40	EAAB	
C[C@@H](O)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O	4899525	WFAUDCSNCWJJAA-RHYQMDGZSA-N	344.412	-1.616	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(N)(N)=O)[C@H](O)[C@H]1O	105372837	OPWIOJXVAPJXSD-GAWUUDPSSA-N	345.256	-1.930	0	40	EAAB	
Nc1nc(NCC(=O)O)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	4919399	XYLOQYGJWSRLAS-AJRXIIKVSA-N	340.296	-2.484	0	40	EAAB	
COC(=O)NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O	5807986	UXSFHFOZLWFQEN-DHCFDGJBSA-N	345.264	-3.356	0	40	EAAB	
O=c1ccc2cc(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	19968	XHCADAYNFIFUHF-YADOHIMWSA-N	340.284	-1.323	0	40	EAAB	biogenic,in-man
CN(C)CCC(=O)N[C@@]1(C)CS(=O)(=O)C[C@H]1S(=O)(=O)O	4771228	GSEWBNLFBWFHMC-SCZZXKLOSA-N	328.412	-1.502	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2O	19331319	SROWMOMOKMQMBI-PEXIDYNRSA-N	332.397	-3.233	0	40	EAAB	biogenic
COc1ccc([C@H](O)[C@@H](C)O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)cc1	35465328	JYWSARFDLXXOHT-QAPMRAEOSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	71789705	SERLAGPUMNYUCK-QHAPAXHBSA-N	344.313	-5.761	0	40	EAAB	in-vitro
CNC(=O)[C@@H]1CN(Cc2cncnc2)CCN(S(C)(=O)=O)C1	257288881	PWBIWSGUNODJMP-GFCCVEGCSA-N	327.410	-1.084	0	40	EAAB	
Cn1cc(S(=O)(=O)NCC(=O)N2CCCC2)c(=O)n(C)c1=O	12988132	GYUNRHDOEMSSRU-UHFFFAOYSA-N	330.366	-2.015	0	40	EAAB	
Nc1ncnc2[nH]c(S[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nc12	4824177	VHJCJYPMHZRSFT-DALOQIEPSA-N	329.338	-2.173	0	40	EAAB	
O=C(NCCN1CCCOC1=O)C(=O)NCCN1CCCOC1=O	4127066	DLMSDQOAYJKMME-UHFFFAOYSA-N	342.352	-1.097	0	40	EAAB	
O=C(O)/C=C\c1ccc(O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	71756574	LJFYQZQUAULRDF-ZQAKQYMVSA-N	326.301	-1.037	0	40	EAAB	
Cn1c(N)c(C(=O)COC(=O)C2=NNC(=O)CC2)c(=O)n(C)c1=O	12555588	IMJGUBMMYRTMGM-UHFFFAOYSA-N	337.292	-2.342	0	40	EAAB	
CN(C)C(=O)[C@@H]1CCCN1CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	27565975	RSFYLCRZQFKQNM-VIFPVBQESA-N	337.380	-1.599	0	40	EAAB	
CNC(=O)[C@H]1CN(C)CCN(C(=O)CN2C(=O)NC(C)(C)C2=O)C1	257219175	DFWRBXWFWKOQNL-JTQLQIEISA-N	339.396	-1.547	0	40	EAAB	
CNC(=O)[C@@H]1CN(C(=O)c2cnn(C)c2)CCN(S(C)(=O)=O)C1	257292590	QMFLDTRFPLORFY-LLVKDONJSA-N	343.409	-1.500	0	40	EAAB	
CN1CCN(C(=O)CN2CCN(CCO)CC2)C[C@@H](C(N)=O)C1	257217825	DATUSXUSTHPALN-ZDUSSCGKSA-N	327.429	-2.528	0	40	EAAB	
O=c1[nH]cnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O	29241677	XCAXTILLADBPII-GFRUICAKSA-N	347.125	-1.506	0	40	EAAB	
CC(C)(C)C(=O)OC[C@@H]1O[C@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O	101922290	VORXIVUCGWLOIX-RFOGZPIASA-N	328.325	-1.415	0	40	EAAB	
C[C@H]1CN2CCC[C@H]2CN1S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	106911690	YGFHSQDXFXUMHT-QWRGUYRKSA-N	342.421	-1.059	0	40	EAAB	
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@@H](CN(C)C)C1	106787417	UYLSGOFHVGJITE-UPJWGTAASA-N	333.454	-1.059	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)NCC(=O)O)[C@@H](O)[C@@H]1O	5010518	MJEKUTDBGOEGON-OUDXYJABSA-N	338.280	-2.772	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccccc2C=O)O[C@H](CO)[C@H](O)[C@@H]1O	13382193	DIOIKYCIVSLRPT-FQKPHLNHSA-N	325.317	-1.178	0	40	EAAB	
Cn1cc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(=O)n(C)c1=O	72277704	HCUKHGDBFTZCIT-SNVBAGLBSA-N	328.394	-1.447	0	40	EAAB	
O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@](O)(CN2CCOCC2)C1	257302498	SDDQOGQULJLKSH-OCCSQVGLSA-N	332.422	-1.283	0	40	EAAB	
COCCC(=O)N1CC[C@](O)(CNC(=O)[C@@H]2CCN(C)C2=O)C1	1040614200	VKASHUJJRLXKHL-NHYWBVRUSA-N	327.381	-1.419	0	40	EAAB	
Nc1ncnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5389857	OGYZRURWGBYRSZ-DTITTZBUSA-N	336.352	-1.380	0	40	EAAB	
COC1=NC(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)=C(NC(C)=O)CN1C	5602218	RMKNVDKMSJYFMY-BFLSOPEQSA-N	330.341	-2.732	0	40	EAAB	
O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1O	100032685	PUVHMWJJTITUGO-KNBDEEDGSA-N	340.114	-3.601	0	40	EAAB	in-vivo
CS(=O)(=O)N1CCN(C(=O)Nc2cnn(CC(N)=O)c2)CC1	65446431	JPALFHYFLFMJIL-UHFFFAOYSA-N	330.370	-1.523	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CCN(C(=O)Cn2cccn2)C[C@H]1O	257250952	JOSHLKAFGGGWGR-ZYHUDNBSSA-N	332.382	-2.243	0	40	EAAB	
O=C1CC(=O)N([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)C(=O)N1	3870487	AODYJUNLDJOADV-FBXHKNTESA-N	340.181	-2.989	0	40	EAAB	
COc1nc(O)c(Cl)c(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)n1	17175460	YTUQCKKNKXPLCM-AVIDFEGHSA-N	337.716	-1.944	0	40	EAAB	
CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@H]1CCS(=O)(=O)C1	101272369	ZIJIVXQYSFDFGT-BDAKNGLRSA-N	331.437	-1.378	0	40	EAAB	
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	13481493	JYFOSWJYZIVJPO-ILOGHGLZSA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)Cn2cccn2)C[C@@H](C(N)=O)C1	257201913	AJPVJKATPHATHL-SNVBAGLBSA-N	329.382	-1.912	0	40	EAAB	
O=S(=O)(c1ccccc1)N1CC[C@H](O)[C@@](O)(CN2CC(O)C2)C1	585283116	BYVDNYUUJRJQBO-LSDHHAIUSA-N	342.417	-1.151	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	5225123	HDTRYLNUVZCQOY-QYZOZNJRSA-N	342.297	-5.397	0	40	EAAB	
CN1CCCN(CC(N)=O)CCN(C)CCCN(CC(N)=O)CC1	68605083	MPNKIVHHGITQNJ-UHFFFAOYSA-N	342.488	-1.782	0	40	EAAB	
Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C(F)(F)F)c(=O)n1	168017352	GZFARVHZTGRMCQ-XVFCMESISA-N	338.242	-1.877	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	1857776329	HDTRYLNUVZCQOY-RHFVXIOASA-N	342.297	-5.397	0	40	EAAB	
Nc1ncnc2c1nc(N1CCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	5389858	OGYZRURWGBYRSZ-ZLGIUQBVSA-N	336.352	-1.380	0	40	EAAB	
Nc1ccn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)O[C@H]2O)c(=O)n1	5811818	RQYFOSYRHSPBRR-YDLFOAGRSA-N	339.197	-2.514	0	40	EAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)[nH]1	17175491	VIYJZVFQPBWUJQ-QSENUVQISA-N	347.349	-2.484	0	40	EAAB	
CN1CC(=O)N2C[C@@H](NC(=O)c3ccc4c(c3)no[n+]4[O-])C[C@H]2C1=O	67834131	HPTGWYMJBYPTBC-CABZTGNLSA-N	345.315	-1.368	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Oc2ccc(C(=O)O)cc2)O[C@@H](CO)[C@@H](O)[C@@H]1O	62725184	ZZGOODZEYMETHT-BGPZULBFSA-N	341.316	-1.293	0	40	EAAB	
CSc1nc2c(nnn2[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1C	5760123	FKTPTJZIXFYSRM-UHTZMRCNSA-N	329.338	-2.142	0	40	EAAB	
CSCC[C@H](C(=O)O)N(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)N=O	5812407	SRNXMKFKDGBPJW-VCMDJLOCSA-N	340.354	-2.022	0	40	EAAB	
CC(=O)N1CCN(C(=O)[C@@H](C)N2CCN(S(C)(=O)=O)CC2)CC1	42536197	BSHBMKRFKCHWNV-GFCCVEGCSA-N	346.453	-1.357	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	216304824	AVCNXSQPUQMVNJ-HTOAHKCRSA-N	340.332	-1.260	0	40	EAAB	
CC[C@]1(C)NC(=O)N(NC(=O)CNC[C@@H]2CN(C)CCO2)C1=O	72267963	HAHDQNGCVWSEPB-YGRLFVJLSA-N	327.385	-1.342	0	40	EAAB	
Cc1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1O	18202801	ODYQRGPUVPUJSJ-UHFFFAOYSA-N	338.349	-1.160	0	40	EAAB	
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@H]1O	34226312	BSPZZSXFWWMDMA-LEIICMHDSA-N	325.281	-2.116	0	40	EAAB	
CNC(=O)[C@H]1CN(Cc2cncnc2)CCN(S(C)(=O)=O)C1	257288882	PWBIWSGUNODJMP-LBPRGKRZSA-N	327.410	-1.084	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4896251	VEABMYFEYLXTSD-HAVMAKPUSA-N	329.338	-1.965	0	40	EAAB	
C[C@H](OC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)C(N)=O	5919036	GZKAFTZIQZEYTP-QMMMGPOBSA-N	337.336	-1.369	0	40	EAAB	
CCCn1c(=O)c2c(nc3n2CC(C)=NN3CC(N)=O)n(C)c1=O	10386963	WFXAGLRDSKMYSC-UHFFFAOYSA-N	333.352	-1.012	0	40	EAAB	
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O	101933222	BSPZZSXFWWMDMA-POYYFJLXSA-N	325.281	-2.116	0	40	EAAB	
C[C@]1(C(=O)NCCN2CCCC2=O)CN(S(C)(=O)=O)CCO1	257213793	CJBVZYIEIIZALX-CYBMUJFWSA-N	333.410	-1.225	0	40	EAAB	
Cc1cc(O)nc([C@@H]2CN(C(=O)CNS(C)(=O)=O)CCO2)n1	257344590	ZXXUYPOFLSLDOK-VIFPVBQESA-N	330.366	-1.060	0	40	EAAB	
O=S1(=O)C[C@@H](O)[C@H](NCCNS(=O)(=O)c2ccccc2)C1	575426611	WUGQYXMBCXRYLK-VXGBXAGGSA-N	334.419	-1.288	0	40	EAAB	
CC(C)NC(=O)NC[C@H]1O[C@@H](CC(=O)N2CCOCC2)[C@H](O)[C@@H]1O	8624405	DDNHYWWFSYJWEY-UZGDPCLZSA-N	345.396	-1.568	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)CN2CCc3cncnc3C2)CC1	69521061	SVDQYHNLPBEHQO-UHFFFAOYSA-N	339.421	-1.062	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c(O)cc2o1	1069091	XHCADAYNFIFUHF-JSFFLRCESA-N	340.284	-1.323	0	40	EAAB	endogenous,in-man
O=C1NCCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCNC2=O)CC1	2452908	BJHQZIOEAMVFJU-RYUDHWBXSA-N	336.392	-1.290	0	40	EAAB	
Cn1c(=O)c2c(ncn2CC(=O)OCC(=O)NC2CC2)n(C)c1=O	5361190	LSAHOJGDDAKVSL-UHFFFAOYSA-N	335.320	-1.745	0	40	EAAB	
COc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)[nH]1	5544777	WSXCNSWFRVAPEM-YHZLNDEXSA-N	345.308	-2.807	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N[C@@H]2CCCCNC2=O)CC1	48009443	UEUZOQXIAGYOOW-LLVKDONJSA-N	332.426	-1.652	0	40	EAAB	
COc1ccc(NC(=O)C(=O)NC[C@H](O)CN2CCOCC2)cn1	40268441	ANZJMUGNPXCRME-LBPRGKRZSA-N	338.364	-1.162	0	40	EAAB	
N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O	5706877	OMLWNBVRVJYMBQ-YUMQZZPRSA-N	330.393	-2.590	0	40	EAAB	endogenous,in-man
CN1CCN(C(=O)[C@@H]2C[C@H]3CN(S(=O)(=O)N(C)C)C[C@H]2O3)CC1	107264434	CZYCNULWTSWPKK-YNEHKIRRSA-N	346.453	-1.344	0	40	EAAB	
Cn1cc(S(=O)(=O)NCCOCCN2C(=O)CCC2=O)cn1	1565522605	LRYBTWQBKLRNGZ-UHFFFAOYSA-N	330.366	-1.136	0	40	EAAB	
Cn1c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)n(N)c(=O)c21	5082176	LBADDCIXRKMOKD-HAVMAKPUSA-N	328.285	-4.196	0	40	EAAB	
OCC1=C[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	226341385	RJWJHRPNHPHBRN-RBNDBXFCSA-N	346.332	-2.802	0	40	EAAB	
Cn1cc([C@H]2NC(=O)c3ccccc3N2CC(N)=O)c(=O)n(C)c1=O	36394106	UVHJZBMHWZRZGC-ZDUSSCGKSA-N	343.343	-1.182	0	40	EAAB	
CN(C)S(=O)(=O)N1CC2(CC[C@H](CNS(C)(=O)=O)CO2)C1	247546303	UOTWBKNGJHOTCO-SNVBAGLBSA-N	341.455	-1.177	0	40	EAAB	
CNCc1cn(C[C@H]2O[C@@H](CC(=O)N3CCCC3)[C@H](O)[C@@H]2O)nn1	8624439	DEUWAEGHDDHFNS-MYZSUADSSA-N	339.396	-1.501	0	40	EAAB	biogenic,in-vitro
COCCO[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(N)ncnc21	230402270	PUDXUJRJLRLJIU-GWESGZDDSA-N	325.325	-1.309	0	40	EAAB	
Cn1c(=O)c2ncn([C@@H]3CN(C(=O)CCN)C[C@H]3O)c2n(C)c1=O	257325122	WROHBSJOOWPPFF-RKDXNWHRSA-N	336.352	-2.473	0	40	EAAB	
OC[C@@H]1O[C@H](NNC(=S)Nc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	408723373	UBGNAFIGZJRNHM-MJDLHHQISA-N	329.378	-1.723	0	40	EAAB	
NCCN([C@H]1CS(=O)(=O)C[C@@H]1O)S(=O)(=O)c1ccccc1	575421323	HUZHEPUHWUKYND-RYUDHWBXSA-N	334.419	-1.206	0	40	EAAB	
COCC(=O)N[C@@H]1CO[C@H](Cn2ccc(O)nc2=O)[C@@H](O)[C@H]1O	1615125168	ZHKXIUBOIIJDNJ-VZJNWSLWSA-N	329.309	-2.799	0	40	EAAB	
NC(=O)CCC(=O)N1CCOC[C@@](O)(CNC(=O)c2cnco2)C1	257232771	GMIKZKJAQHJHJA-CQSZACIVSA-N	340.336	-1.740	0	40	EAAB	
O=C1[C@H]2C3C=CC([C@@H]2C(=O)N1CCO)[C@H]1C(=O)N(CCO)C(=O)[C@H]31	2298472	IYRBGBHQRCADLS-QSTBHEHHSA-N	334.328	-2.011	0	40	EAAB	
COc1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCOCC2)cn1	40268444	ANZJMUGNPXCRME-GFCCVEGCSA-N	338.364	-1.162	0	40	EAAB	
CCNC(=O)CN(C)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1	40554311	JFHNGJIVBMHOOL-UHFFFAOYSA-N	340.361	-1.027	0	40	EAAB	
CS(=O)(=O)NCCNC(=O)N1CCN(c2ncccn2)CC1	45653149	QQTMRFIUWQGYTO-UHFFFAOYSA-N	328.398	-1.143	0	40	EAAB	
O=C(CCn1cc[nH]c(=O)c1=O)N1CCN([C@@H]2CCC[C@H]2O)CC1	84613313	SLXFVRHTFUQEFG-CHWSQXEVSA-N	336.392	-1.016	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)CO[C@@]2(O)CO)[C@H](O)[C@H](O)[C@@H]1O	4721322	SEWFWJUQVJHATO-OQPGPFOOSA-N	342.297	-5.396	0	40	EAAB	
OC[C@]1(O[C@@H]2O[C@H](CF)[C@H](O)[C@H](O)[C@@H]2O)O[C@@H](CF)[C@@H](O)[C@H]1O	5554032	QFAIWPWCNFEWFB-BHSGDFDISA-N	346.279	-3.441	0	40	EAAB	
C[C@@H](O)CNC(=O)C1CCN(Cc2cc(=O)n(C)c(=O)n2C)CC1	40540735	SIZGBEIOXIJDFR-LLVKDONJSA-N	338.408	-1.207	0	40	EAAB	
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	64219263	DLRVVLDZNNYCBX-PAVPLOJXSA-N	342.297	-5.397	0	40	EAAB	in-vitro
O=C(CCCCCC(=O)N(CCO)CCO)N(CCO)CCO	4832367	MFFRBNGFNLWWLD-UHFFFAOYSA-N	334.413	-1.437	0	40	EAAB	
COC(=O)[C@@H]1O[C@@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	22067107	CLHFNXQWJBTGBL-FTEPDLOASA-N	334.277	-1.328	0	40	EAAB	
COC(=O)C(=O)[C@H]1CCCC[C@H](C2=N[C@@H]3NN=C(N)N3C2=O)C1=O	102987076	BTUDDSYILNPZQN-FHZAEYJHSA-N	335.320	-1.496	0	40	EAAB	
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](CO)O[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	248006444	HLLZGYFHHYGOLN-VTLIHQCDSA-N	326.298	-4.370	0	40	EAAB	in-vitro
O=C(CO)C[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO	79669860	FTMPSFVZTWQVGJ-DZDOAMSKSA-N	326.298	-4.524	0	40	EAAB	
NC(=O)Cn1nnn(-c2ccc(NS(=O)(=O)C3CC3)cc2)c1=O	75163238	CYVKTLOXGPGSBA-UHFFFAOYSA-N	338.349	-1.182	0	40	EAAB	
Cn1ccnc1S(=O)(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)C1	585322758	CXOSDUZDOIMHIH-UHFFFAOYSA-N	337.361	-1.188	0	40	EAAB	
CCCNC(=O)N[C@@H]1C=C(C(=O)NCCC(N)=O)C[C@@H](O)[C@@H]1O	3838790	APPDWVULJKIZPT-CKYFFXLPSA-N	328.369	-1.892	0	40	EAAB	biogenic,in-vitro
Cn1c(=O)n([C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc(N)n(N)c(=O)c21	8627914	LBADDCIXRKMOKD-PXMDKTAGSA-N	328.285	-4.196	0	40	EAAB	
OCCN1CCN(c2ccnc(N3CCN(CCO)CC3)n2)CC1	31937817	GFGGQIDMYOTUSK-UHFFFAOYSA-N	336.440	-1.295	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CN2CCn3ccnc3C2)CC1	97201360	KTNUIMMJVQQBAE-UHFFFAOYSA-N	327.410	-1.198	0	40	EAAB	
COCC(=O)NC[C@]1(O)CCN(CC2(O)CCOCC2)C[C@H]1O	257275436	NPJZKTSRXXZARV-IUODEOHRSA-N	332.397	-1.912	0	40	EAAB	
N=C(N)NCCC[C@@H](NC(=O)Cc1n[nH]c(=O)[nH]c1=O)C(=O)O	1747592	ITQYDTLSWJXDKT-RXMQYKEDSA-N	327.301	-3.167	0	40	EAAB	
CC(=O)O[C@@H]1[C@@H](OC(C)=O)N([N+](=O)[O-])c2nonc2N1[N+](=O)[O-]	16321627	OJDKQXIGHQTKGS-HTQZYQBOSA-N	332.185	-1.142	0	40	EAAB	
Nc1cc[n+](CC2=C(C(=O)O)N3C(=O)[C@@H](N)[C@H]3SC2)n1CCO	95868171	PIHVDRSNPCHIPK-BXKDBHETSA-O	340.385	-2.069	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)c2cncs2)C[C@H](C(N)=O)C1	257210141	BTJFYJFPVPAAPP-QMMMGPOBSA-N	332.407	-1.038	0	40	EAAB	
Nc1nc2c(c(=O)[nH]1)[n+](CCO)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	34713954	YPMRJQYICZGMGV-TXRROPDSSA-O	328.305	-3.802	0	40	EAAB	
O=C1CN(C(=O)Cn2nc(N3CCSCC3)ccc2=O)CCN1	71285480	RKIXCKJOSZMVEQ-UHFFFAOYSA-N	337.405	-1.245	0	40	EAAB	
NC(=O)CN1CCC(NC(=O)NC[C@@H]2CCS(=O)(=O)C2)CC1	89819377	RHHLKXCWQYFQQG-JTQLQIEISA-N	332.426	-1.330	0	40	EAAB	
CNC(=O)c1cc(S(=O)(=O)N2CCN(C)C[C@@H]2CO)cn1C	585115175	PJXLNVNPUFLOBS-SNVBAGLBSA-N	330.410	-1.318	0	40	EAAB	
CSc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5545845	YUYHWVWEDABSBD-JKHDZATESA-N	344.349	-2.186	0	40	EAAB	
CSc1nc2c(nnn2[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5760120	FKTPTJZIXFYSRM-KQYNXXCUSA-N	329.338	-2.142	0	40	EAAB	
Cn1nccc1C(=O)N1CC[C@@]2(C1)Cn1c(nn(C)c(=O)c1=O)CO2	306135515	OTPLZTAFKWGXAK-OAHLLOKOSA-N	346.347	-1.509	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Oc2ccccc2C=O)O[C@H](CO)[C@@H](O)[C@@H]1O	83260909	DIOIKYCIVSLRPT-XLWJZTARSA-N	325.317	-1.178	0	40	EAAB	
CN(C)S(=O)(=O)N1CCC(S(=O)(=O)c2nncn2C)CC1	96099661	VLQJVOQIWFUVPZ-UHFFFAOYSA-N	337.427	-1.140	0	40	EAAB	
CN1C(=O)CN(C2CCN(S(=O)(=O)N3CCOCC3)CC2)C1=O	828283872	ZKJGVFOSPKYMHC-UHFFFAOYSA-N	346.409	-1.078	0	40	EAAB	
Nc1ccc(S(=O)(=O)N[C@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]2O)cc1	4429544	VZBMXGFETMNGKT-KNZXXDILSA-N	334.350	-2.653	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC1	35898065	GUXQSXRUBRLQFO-YTWAJWBKSA-N	332.378	-1.032	0	40	EAAB	
O=c1[nH]cc(NC(=S)N[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)c(=O)[nH]1	102806207	FYJOXXMQCPXOJZ-QULHBXTKSA-N	348.337	-3.851	0	40	EAAB	
COc1ccc2nnc(CNS(=O)(=O)N3CCOCC3)n2n1	585149413	QFGSYOCBLAESFC-UHFFFAOYSA-N	328.354	-1.201	0	40	EAAB	
NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncn3ccnc3c12	4771510	YHUUEZKVMQVPHH-QPJVAMMUSA-N	333.304	-1.606	0	40	EAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)[nH]1	5544959	VIYJZVFQPBWUJQ-ANXQYSSRSA-N	347.349	-2.484	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO)C2O	19331311	SROWMOMOKMQMBI-BHLLXRGQSA-N	332.397	-3.233	0	40	EAAB	
NC(=O)NC(=O)/C=C\C(=O)OCCOC(=O)/C=C\C(=O)NC(N)=O	104335024	QCCPIJQIBJOCIE-CCAGOZQPSA-N	342.264	-2.425	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](NC(=S)Nc2cnc(O)nc2O)[C@H](O)[C@H]1O	253499390	FYJOXXMQCPXOJZ-MHYOJZRLSA-N	348.337	-3.026	0	40	EAAB	biogenic
COC(=O)c1cn(N[C@@H]2CS(=O)(=O)C[C@@H]2O)cc2c(O)nnc1-2	524735060	RUWUOORBLHTSIK-BDAKNGLRSA-N	342.333	-1.424	0	40	EAAB	
OCC1=C[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	5566519	RJWJHRPNHPHBRN-PTUWJHDDSA-N	346.332	-2.802	0	40	EAAB	in-man
O=P(O)(O)OC[C@H]1O[C@](O)(OP(=O)(O)O)[C@@H](O)[C@H]1O	12890057	VIZPZFFVVXGXQO-STGXQOJASA-N	326.087	-3.028	0	40	EAAB	biogenic
NC(=O)C(NC(=O)NCc1cccc(Cn2cncn2)c1)C(N)=O	45440791	OJUTZYCQRRRXIP-UHFFFAOYSA-N	331.336	-1.535	0	40	EAAB	
CN(C)C[C@]1(O)CCCN(C(=O)CN2CCN(CCO)CC2)CC1	257230398	GCDYICMGGOTJPI-KRWDZBQOSA-N	342.484	-1.099	0	40	EAAB	
CNC(=O)Cn1c(Br)nc2c(=O)n(C)c(=O)n(C)c21	18998495	MSJJKPOFTIBLQA-UHFFFAOYSA-N	330.142	-1.058	0	40	EAAB	
NC(=O)CN1CCOCCOCCN(CC(N)=O)CCOCC1	3900470	YLFVLWDZNDUQGG-UHFFFAOYSA-N	332.401	-2.376	0	40	EAAB	
Cc1nc2ccccc2c(=O)n1CCCC(=O)NC(C(N)=O)C(N)=O	46333283	OUBWARNBCTXGQW-UHFFFAOYSA-N	345.359	-1.059	0	40	EAAB	
Cc1noc(CN2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)n1	51768586	LLDMOTKFSZPSIR-UHFFFAOYSA-N	344.441	-1.012	0	40	EAAB	
CS(=O)(=O)NCC(=O)N1CCOC[C@@H](Cc2cc(O)ncn2)C1	257262665	LMIAWRQETDVIET-JTQLQIEISA-N	344.393	-1.251	0	40	EAAB	
CS(=O)(=O)NCC(=O)N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O	257316824	VHDRSUHLKISLRU-NQBHXWOUSA-N	335.426	-1.734	0	40	EAAB	
S=C1NCCNC(=S)NCCOCCOCCOCCN1	3897367	NILMNZIFWCIRIE-UHFFFAOYSA-N	336.483	-1.022	0	40	EAAB	
O=C1CC(=O)N([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1	3870486	AODYJUNLDJOADV-UBUIYCMKSA-N	340.181	-2.989	0	40	EAAB	
CC(=O)N1CCN(C(=O)[C@H](C)N2CCN(S(C)(=O)=O)CC2)CC1	42536194	BSHBMKRFKCHWNV-LBPRGKRZSA-N	346.453	-1.357	0	40	EAAB	
CN[C@H](C(=O)N[C@@H]1C=C(C(=O)NCC(N)=O)C[C@@H](O)[C@@H]1O)C(C)C	3838836	UPLNRXIAJBIVIT-VCDKRKBESA-N	342.396	-2.631	0	40	EAAB	biogenic,in-vitro
COCC[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21	35569338	MOUBNENZOXSEQA-VHQAPHLWSA-N	341.324	-2.280	0	40	EAAB	
O=C1Nc2ccc(O)cc2O[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	49601485	VUFDXOACUHDTLI-PUOUXSMHSA-N	343.288	-2.134	0	40	EAAB	biogenic,in-vitro
COCCO[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cnc2c(N)ncnc21	90556175	PUDXUJRJLRLJIU-BDXNGKNPSA-N	325.325	-1.309	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)O)O[C@H]1[C@@H](O)[C@@H](O)CO	14768526	ARAIBEBZBOPLMB-LAVLCPKXSA-N	332.313	-3.576	0	40	EAAB	
COCCO[C@@H]1[C@@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@H](CO)[C@H]1O	230402611	DLLBJSLIKOKFHE-WJOUQXRDSA-N	341.324	-2.016	0	40	EAAB	
C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	248006435	HLLZGYFHHYGOLN-DFTXUHBISA-N	326.298	-4.370	0	40	EAAB	in-vitro
COC(=O)CNc1nn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=S)[nH]c1=O	11691708	ZIULUDYMNACLRH-UHTZMRCNSA-N	348.337	-2.503	0	40	EAAB	
CN(C)S(=O)(=O)N1CCC[C@H](C(=O)N2CCN(C=O)CC2)C1	44880064	IHQAZUBABXTQFO-LBPRGKRZSA-N	332.426	-1.195	0	40	EAAB	
NC(=O)C(NC(=O)Cn1nc(-c2cccs2)oc1=O)C(N)=O	42789538	OBKKDSYCQUKSKM-UHFFFAOYSA-N	325.306	-1.980	0	40	EAAB	
Cc1nn(C)cc1C(=O)N1CCN(S(C)(=O)=O)C[C@@H](C(N)=O)C1	257280100	OJLFANNHJQNQGA-JTQLQIEISA-N	343.409	-1.453	0	40	EAAB	
COc1nc(OC)nc(N2CCO[C@H](C(=O)N3CCOCC3)C2)n1	1889128429	IYSTXASIDLRTHJ-JTQLQIEISA-N	339.352	-1.047	0	40	EAAB	
O=C(N[C@H](CO)C(=O)O)c1ccc(C(=O)N[C@H](CO)C(=O)O)cc1	5944698	NUOVFKCEGMHKTG-NXEZZACHSA-N	340.288	-1.963	0	40	EAAB	
CSc1nc(N[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(C=O)c(=O)[nH]1	8652718	VIYJZVFQPBWUJQ-VLBHWAHQSA-N	347.349	-2.484	0	40	EAAB	
O=C(NC[C@H]1OC[C@@H](NC2CCOCC2)[C@@H]1O)N1CCOCC1	77264971	FXGXAZWYLCFEJX-MCIONIFRSA-N	329.397	-1.075	0	40	EAAB	biogenic,in-vitro
O=C1CC(=O)N([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1	3870485	AODYJUNLDJOADV-MGCRHUGZSA-N	340.181	-2.989	0	40	EAAB	
CSc1nc(N[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c(N)c(=O)[nH]1	17191017	VZOSVGAXSLLDML-AVIDFEGHSA-N	334.354	-2.714	0	40	EAAB	
Cc1c(C(=O)c2no[n+]([O-])c2C(=O)c2no[n+]([O-])c2C)no[n+]1[O-]	22079067	SBNMDHDSFNUDQT-UHFFFAOYSA-N	338.192	-2.370	0	40	EAAB	
CN(C)C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCN(c2ncccn2)CC1	20465102	KTBMLUHERKNRFL-CBBWQLFWSA-N	337.424	-1.351	0	40	EAAB	biogenic,in-vitro
CC(=O)N[C@H]1[C@@H](NC(=O)C[C@H](N)C(=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O	198686443	YTTRPBWEMMPYSW-BZEWGNRBSA-N	335.313	-4.152	0	40	EAAB	
Cn1cc(C(=O)N2CCN(S(C)(=O)=O)C[C@H](C(N)=O)C2)cn1	257261557	LHVAKQYDTLLQDN-SNVBAGLBSA-N	329.382	-1.761	0	40	EAAB	
OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)NC[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	3921888	GNVIYGFSOIHFHK-NIKVEEOSSA-N	325.314	-5.143	0	40	EAAB	in-man
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)C2O	19331315	SROWMOMOKMQMBI-RENIOJDESA-N	332.397	-3.233	0	40	EAAB	
CN[C@H]1[C@@H](O)[C@@H](NC)[C@@H](O)[C@H]2O[C@@H]3O[C@@H](C)CC(=O)[C@@]3(O)O[C@@H]12	57406609	UNFWWIHTNXNPBV-ZGLSLNOISA-N	332.353	-2.926	0	40	EAAB	
O=C(NC[C@]1(O)CCN(c2ncccn2)C[C@H]1O)c1cnccn1	257247020	IXASENWSPLZTDV-IUODEOHRSA-N	330.348	-1.001	0	40	EAAB	
Cn1c(N)c(C(=O)CSc2n[nH]c(=O)[nH]c2=O)c(=O)n(C)c1=O	3264344	HJQKTWNMSMFALY-UHFFFAOYSA-N	340.321	-2.587	0	40	EAAB	
O=C1OC[C@@]23CC(=O)[C@](O)(c4oc(CO)cc(=O)c4O)[C@@H](C[C@H]12)O3	5639795	RWGQGHBQZAGYRO-FAKVXJJRSA-N	338.268	-1.301	0	40	EAAB	
C[C@]1(O)[C@](C)(O)[C@](C)(n2cnc3c(N)nc(N)nc32)O[C@]1(C)CO	12358658	VQFFXQYSVFFNFX-YIYPIFLZSA-N	338.368	-1.053	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CCN(CC(=O)N2CCCC2)C[C@H]1O	257330337	XNYHMTDLAWAPHN-DGCLKSJQSA-N	335.426	-2.044	0	40	EAAB	
CNC(=O)[C@]1(C)CN(C(=O)CN2CCN(CCO)CC2)CCO1	257202690	AMWPKXJOYAGRLL-HNNXBMFYSA-N	328.413	-2.040	0	40	EAAB	
CS(=O)(=O)NC[C@]1(O)CN(C(=O)Cc2cccc(F)c2)C[C@H]1O	257304934	SNTHOBUGUDLYKD-OCCSQVGLSA-N	346.380	-1.148	0	40	EAAB	
COc1ncccc1C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643912845	LXHTVRNLBPYACW-MCIONIFRSA-N	337.376	-1.031	0	40	EAAB	
Nc1nc(Br)c2ncn([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c2n1	4743791	JEAGSZXYGSYKJX-PXMDKTAGSA-N	346.141	-1.218	0	40	EAAB	
N=C(N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(N)=O	15721844	KQFIWXHYCHBRJW-YUMQZZPRSA-N	329.409	-3.190	0	40	EAAB	
CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1cccs1	4337102	XIWIQJVGSHDPMM-MRVPVSSYSA-N	333.391	-1.043	0	40	EAAB	
CSc1nc2c(=O)[nH]c(N)nc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4896252	VEABMYFEYLXTSD-HFXAWCPLSA-N	329.338	-1.965	0	40	EAAB	
CCOC(=O)C(/C(=C/C(=O)OC)C(=O)OC)=C1/NCCNC1=O	19973994	KDVFFLHOISOVLX-QEFCTBRHSA-N	326.305	-1.205	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1OP(=O)(O)O	4513857	QDFHPFSBQFLLSW-WDHZHIADSA-N	347.224	-1.863	0	40	EAAB	
O=c1[nH]c(=O)n([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1N1CCOCC1	4896190	WPLWAMWABWXDPR-MIZYBKAJSA-N	329.309	-3.015	0	40	EAAB	
CNc1nccnc1[C@@H]1CN(C(=O)CNS(C)(=O)=O)CCO1	257257063	KNYBLHUHWRSRBE-VIFPVBQESA-N	329.382	-1.033	0	40	EAAB	
O=S(=O)(O)C1C[C@H](S(=O)(=O)O)N[C@H](S(=O)(=O)O)C1	5496338	TWCKTOPIQHDKGX-NVGWPGHNSA-N	325.342	-1.946	0	40	EAAB	
NC(=O)CCC(=O)N1CCOC[C@](O)(CNC(=O)c2cnco2)C1	257232770	GMIKZKJAQHJHJA-AWEZNQCLSA-N	340.336	-1.740	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	4000496	VJUPMOPLUQHMLE-HFXAWCPLSA-N	346.141	-1.218	0	40	EAAB	
O=C1CCC(C(=O)NCCn2c(=O)[nH]c3ncccc3c2=O)=NN1	225796370	RXFJIFPDAJVHGG-UHFFFAOYSA-N	330.304	-1.533	0	40	EAAB	
COC(=O)NC(=O)c1cn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O	5807989	UXSFHFOZLWFQEN-XIVUIJJLSA-N	345.264	-3.356	0	40	EAAB	
O=c1ccc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)c(O)cc2o1	47505	XHCADAYNFIFUHF-DIAXPKBXSA-N	340.284	-1.323	0	40	EAAB	
CC(C)[C@H](NC(=O)[C@@H](C)N)C(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	5733075	AWBPCEJUIMAFQR-RTUAUOMASA-N	349.384	-3.610	0	40	EAAB	
COC(=O)/C=C(/Nc1ccc(S(N)(=O)=O)cc1)C(=O)NCCO	12321390	SNTURHAJVOIPAJ-DHZHZOJOSA-N	343.361	-1.089	0	40	EAAB	
CCN1C[C@]2(CC1=O)CN(C(=O)COC)CCN(S(C)(=O)=O)C2	96143477	YCYDGHYQXYXFPQ-CQSZACIVSA-N	347.437	-1.025	0	40	EAAB	
CCNc1nc2c(=O)[nH]c(N)nc2n1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	4963947	DWCPAYYCDOZDBZ-WDHZHIADSA-N	326.313	-2.255	0	40	EAAB	
Cn1c(N)c(C(=O)CN2CCN(C(=O)CO)CC2)c(=O)n(C)c1=O	95444040	IXDMOAGAZTZLRJ-UHFFFAOYSA-N	339.352	-3.015	0	40	EAAB	
NC(=O)c1csc([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1	1579707	XDDGVTBJYGSVPM-WNJXEPBRSA-N	340.250	-1.487	0	40	EAAB	
CC1(C)O[C@H]2[C@@H](n3ncc(=O)[nH]c3=O)O[C@@H](CS(C)(=O)=O)[C@@H]2O1	6015236	WJOLFGCXPCLESC-MCNGFCJOSA-N	347.349	-1.606	0	40	EAAB	
OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)O[C@H](CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	64633433	QIGJYVCQYDKYDW-ORZFQWOTSA-N	342.297	-5.397	0	40	EAAB	in-vitro
COc1nn(C)cc1C(=O)NCCN1CCN(S(C)(=O)=O)CC1	38680450	WINFUNQJZRQRGZ-UHFFFAOYSA-N	345.425	-1.264	0	40	EAAB	
CN(C)S(=O)(=O)N1C[C@H]2O[C@H](C[C@@H]2C(=O)N2CCOCC2)C1	96253259	STKFJFAFQQBVCI-GRYCIOLGSA-N	333.410	-1.259	0	40	EAAB	
CCN(CC)S(=O)(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257236448	HCGHCNSEPIZVIW-ZJUUUORDSA-N	345.443	-2.470	0	40	EAAB	
O=C(N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O)C(F)(F)F	34423398	LXCNOCVKVXQYCX-XVFCMESISA-N	339.226	-2.166	0	40	EAAB	
CC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1	5063312	OOKFNXQNFKPUCA-REWJHTLYSA-N	327.333	-1.577	0	40	EAAB	
NC(=O)CNC(=O)C1=C[C@@H](NC(=O)c2cccs2)[C@@H](O)[C@H](O)C1	6243155	PGTMVKLYEDTRDK-KBVBSXBZSA-N	339.373	-1.500	0	40	EAAB	biogenic,in-vitro
COC(=O)C(C(=O)OC)C(C(=O)OC)(C(=O)OC)N1CCOCC1	19707637	CRTKRRSNILBHSU-UHFFFAOYSA-N	347.320	-1.634	0	40	EAAB	
CCOC(=O)C1=C(CN2CCN(S(C)(=O)=O)CC2)NC(=O)NC1	24508742	ZPVUDKRMCWUEHJ-UHFFFAOYSA-N	346.409	-1.306	0	40	EAAB	
Cc1ncncc1C(=O)N1C[C@@H](O)[C@](O)(CNS(C)(=O)=O)C1	257230944	GEOVFCXUTMQNGP-PWSUYJOCSA-N	330.366	-2.118	0	40	EAAB	
Nc1ncnc2c1nc(Br)n2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O	967757	VJUPMOPLUQHMLE-GIMIYPNGSA-N	346.141	-1.218	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O	12405780	GNZLUJQJDPRUTD-KQYNXXCUSA-N	346.325	-2.752	0	40	EAAB	in-vivo
CC(=O)[C@H](O)[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@]1(O)C(C)=O	117234299	VEGKIJPROJEVDY-FBKDDSFISA-N	326.305	-1.597	0	40	EAAB	
CN(CC(N)=O)C[C@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1	548679725	QOKKLSFNVBOTIW-OLZOCXBDSA-N	327.429	-1.092	0	40	EAAB	
Nc1nc2c(ncn2[C@H]2C[C@@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1	3869848	LTFMZDNNPPEQNG-NGJCXOISSA-N	347.224	-1.541	0	40	EAAB	
OC[C@@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O	38599727	GUBGYTABKSRVRQ-DTVDVKCHSA-N	342.297	-5.397	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Nc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@@H]1O	242400352	AVCNXSQPUQMVNJ-MBJXGIAVSA-N	340.332	-1.260	0	40	EAAB	
NC(=O)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc[n+]([O-])c(N)c12	4824752	UOVIVZARICJTSJ-VBKWPLKRSA-N	325.281	-3.038	0	40	EAAB	
O=C1NC(=O)C2(CCN(C(=O)Cn3nc4ccccn4c3=O)CC2)N1	97606079	HEIIFIDQXDNNCM-UHFFFAOYSA-N	344.331	-1.303	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Nc2ccc(C(=O)O)cc2)O[C@H](CO)[C@H](O)[C@H]1O	216304875	AVCNXSQPUQMVNJ-DGTMBMJNSA-N	340.332	-1.260	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	3830983	GUBGYTABKSRVRQ-ASQQIUJQSA-N	342.297	-5.397	0	40	EAAB	in-man
CN1CCN(c2c(NC[C@@H](O)CN3CCOCC3)c(=O)c2=O)CC1	101681502	RNPVNQGKAUDFST-GFCCVEGCSA-N	338.408	-1.861	0	40	EAAB	
CNC(=O)[C@H]1CN(C)CCN(C(=O)CN2CCN(CCO)CC2)C1	257253849	KANHABLDZXLLLO-AWEZNQCLSA-N	341.456	-2.268	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	3830985	GUBGYTABKSRVRQ-JJEDZFPISA-N	342.297	-5.397	0	40	EAAB	in-man
COC(=O)c1c(NC(=O)C(=O)NCCO)sc(C(N)=O)c1C	9485901	PTDPOLOCCIUCFF-UHFFFAOYSA-N	329.334	-1.011	0	40	EAAB	
C[C@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O	40546302	FYLZOACXBMZOBR-ZETCQYMHSA-N	341.345	-1.011	0	40	EAAB	
CN(C)C[C@@H]1CN(CC(=O)N2CCN(S(C)(=O)=O)CC2)CCO1	69847510	SEMZNXRPYFRKTC-CYBMUJFWSA-N	348.469	-1.647	0	40	EAAB	
CNC(=O)[C@@H]1CN(C2CCOCC2)CCN(S(=O)(=O)N(C)C)C1	257258604	KUSYOGUZBGMLOO-GFCCVEGCSA-N	348.469	-1.048	0	40	EAAB	
CC(C)N(C)CC(=O)N1C[C@H]2OCC(=O)N(CC(=O)N(C)C)[C@@H]2C1	1614936104	UVIDSQWQWRYPEN-CHWSQXEVSA-N	340.424	-1.147	0	40	EAAB	
CC(=O)N(CC(=O)O)C[C@H]1CN(C(=O)[C@H]2COCCO2)CCO1	681942794	QDLUUQAIAIVOMK-VXGBXAGGSA-N	330.337	-1.438	0	40	EAAB	
O=c1cnn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1	4705962	LRVZOSYMNMNQFR-UISOVIGQSA-N	325.170	-3.340	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C2=O	19322868	RNZZLJJRTGHUGN-KWRLTHHHSA-N	330.381	-3.025	0	40	EAAB	
Nc1ncn([C@@H]2O[C@H](CO[P@](N)(=O)O)[C@H](O)[C@@H]2O)c2ncnc1-2	105364167	XXMJFALDJQNNLC-XJCFNFQFSA-N	346.240	-1.945	0	40	EAAB	
Nc1ncnc2c1ncn2[C@H]1C[C@@H](NC(=O)/C=C/C(=O)O)[C@@H](O)[C@H]1O	257340135	ZESRDUULJZYGEP-BCFDURKQSA-N	348.319	-1.799	0	40	EAAB	
Cc1nnc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)n(N)c1=O	9442620	NZYZHOMONCFVIC-ZETCQYMHSA-N	333.395	-1.944	0	40	EAAB	
Cn1nc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)ccc1=O	71927907	FFDCIXCLFOUTQF-NSHDSACASA-N	340.405	-1.275	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1O	229742831	ONFXBIPJPAWLNU-OIORRXCASA-N	337.336	-1.669	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)Cc2cccnc2)C[C@@H](C(N)=O)C1	257216453	CUOMTEGTCKGFJO-GFCCVEGCSA-N	340.405	-1.171	0	40	EAAB	
COc1cc(Cl)ccc1NC(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO	5330004	RHDMYECHWJGGSI-YJQGPUDQSA-N	335.740	-1.277	0	40	EAAB	
CNCc1cn(C[C@H]2O[C@@H](CC(=O)NC(C)C)[C@H](O)[C@@H]2O)nn1	8624434	ASXQLCQHNQGASZ-UZGDPCLZSA-N	327.385	-1.599	0	40	EAAB	biogenic,in-vitro
COc1ccccc1CNC(=O)Cn1c(=O)c(C(N)=O)cn(C)c1=O	12997372	ZCTZWSRKGKARKU-UHFFFAOYSA-N	346.343	-1.029	0	40	EAAB	
O=C(NC[C@H]1OC[C@@H](NC2CCNCC2)[C@@H]1O)N1CCOCC1	77264982	BGMFVILERHFGBW-MCIONIFRSA-N	328.413	-1.502	0	40	EAAB	biogenic,in-vitro
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(CNCCCO)C1	585292194	YFQMACDKOOMOBJ-KGLIPLIRSA-N	330.406	-1.245	0	40	EAAB	
O=c1ccc2cc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)cc2o1	1368	XHCADAYNFIFUHF-DJIJKHNZSA-N	340.284	-1.323	0	40	EAAB	aggregator,endogenous,in-man
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)OCCO)[C@@H](O)[C@@H]1O	4774221	ZSWSWPYKBOZWGV-SDCKUUTBSA-N	325.281	-2.437	0	40	EAAB	in-vitro
O=S1(=O)CC[C@H](NC(=S)NN[C@@H]2CCS(=O)(=O)C2)C1	6303366	VDNOSIVUSRWVGX-JGVFFNPUSA-N	327.453	-1.671	0	40	EAAB	
COCCN1C[C@@]23CN(C(=O)COC)C[C@@H](C[C@@H]2S1(=O)=O)O3	96146118	KLGVUHUELXVJTJ-MDZLAQPJSA-N	334.394	-1.337	0	40	EAAB	
O=CNCCN(C=O)CCNS(=O)(=O)[C@H]1CCS(=O)(=O)C1	217401352	VASUKPIHWZYNBM-JTQLQIEISA-N	341.411	-2.703	0	40	EAAB	
Nc1ccc(S(=O)(=O)N[C@@H]2[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]2O)cc1	4429547	VZBMXGFETMNGKT-HGCLJGPKSA-N	334.350	-2.653	0	40	EAAB	
CC(=O)Nc1ccc(O[C@H]2O[C@@H](C(=O)O)[C@@H](O)[C@@H](O)[C@H]2O)cc1	4523468	IPROLSVTVHAQLE-OJROKELRSA-N	327.289	-1.084	0	40	EAAB	
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(C=O)c(=O)n1C	5760807	NFXVNBXONQDRNM-DQUBFYRCSA-N	331.350	-1.834	0	40	EAAB	
Nc1cnn([C@@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](O)[C@@H]2O)c(=O)n1	12366815	JXXIHCTVRGEYLX-ZBAXXZLZSA-N	348.315	-1.303	0	40	EAAB	
CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(N)=O	2345436	LTTQZJUUSXSEKR-UHFFFAOYSA-N	341.349	-1.436	0	40	EAAB	
CC(C)N(CC(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O)C(C)C	31357072	CUEHNLMLFJFMER-FTYKPCCVSA-N	337.369	-1.823	0	40	EAAB	
CC(=O)N1CCN(CCNC(=O)Cn2nc3ccccn3c2=O)CC1	46823368	FDMPLSPBZFXEPO-UHFFFAOYSA-N	346.391	-1.224	0	40	EAAB	
OC[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@H](O)[C@H](O)O[C@@H]2CO)[C@@H](O)[C@@H](O)[C@@H]1O	100890938	GUBGYTABKSRVRQ-YXGFPBGSSA-N	342.297	-5.397	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)CN2CCOCC2)C[C@@H](C(N)=O)C1	257337701	YUAPFBBSLMKJGJ-LLVKDONJSA-N	348.425	-2.476	0	40	EAAB	
OCC1=C[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	4268262	RJWJHRPNHPHBRN-HMPREMHUSA-N	346.332	-2.802	0	40	EAAB	
CN(C)CCCn1c(=O)c2c(ncn2C[C@H](O)CO)n(C)c1=O	485558	NQDXIYUCKLYZER-JTQLQIEISA-N	325.369	-1.798	0	40	EAAB	biogenic
CN(C)c1nccnc1[C@H]1CN(C(=O)CNS(C)(=O)=O)CCO1	257327901	XDGASYUMRWDCAQ-SNVBAGLBSA-N	343.409	-1.008	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](Nc2ccc(C(=O)O)cc2)O[C@H](CO)[C@@H](O)[C@@H]1O	242400354	AVCNXSQPUQMVNJ-XVIXHAIJSA-N	340.332	-1.260	0	40	EAAB	
O=c1ccc2ccc(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2o1	238739669	HOIXTKAYCMNVMY-VTTLNAODSA-N	340.284	-1.323	0	40	EAAB	
CN(CC(N)=O)C[C@@H]1CN(C(=O)NC[C@H]2CCCN2C)CCO1	548679724	QOKKLSFNVBOTIW-CHWSQXEVSA-N	327.429	-1.092	0	40	EAAB	
COCCN1CCOC[C@@]2(C1)CN(S(=O)(=O)N(C)C)CCO2	2055816056	LXOCCNRKGXBCQA-CYBMUJFWSA-N	337.442	-1.158	0	40	EAAB	
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O)[C@@H]1O	15265531	BSPZZSXFWWMDMA-ICQCTTRCSA-N	325.281	-2.116	0	40	EAAB	
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2ccc[nH]c2=O)CC1	48281310	VVSQEIKSBPJVRC-UHFFFAOYSA-N	346.343	-1.192	0	40	EAAB	
NC[C@H]1O[C@@H]2C[C@@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@@H]1O	604381861	RYMAONIBMPVQPB-ZDHGETPDSA-N	334.394	-2.122	0	40	EAAB	biogenic,in-vitro
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC	31155414	NBLLRWANAFOKON-ZHZXCYKASA-N	346.332	-1.109	0	40	EAAB	biogenic,in-vitro
O=[N+]([O-])N(CO)CN(CN(CN(CO)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]	104804613	FNXQGGHWTQTIHY-UHFFFAOYSA-N	344.197	-3.267	0	40	EAAB	
CC(c1c(N)n(C)c(=O)n(C)c1=O)c1c(N)n(C)c(=O)n(C)c1=O	339371	YNRDSUAMUKMNPJ-UHFFFAOYSA-N	336.352	-2.202	0	40	EAAB	
COCC(=O)N1CC2(C1)CS(=O)(=O)[C@@H](CN1CCOCC1)CO2	2332243249	VFRQLXREEUYLJB-LBPRGKRZSA-N	348.421	-1.640	0	40	EAAB	
Nc1ncnc2c1nc(N1CCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5389856	OGYZRURWGBYRSZ-OJPPFWEXSA-N	336.352	-1.380	0	40	EAAB	
CSc1nc2c(nnn2[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(=O)n1C	5760118	FKTPTJZIXFYSRM-CRKDRTNXSA-N	329.338	-2.142	0	40	EAAB	
O=S1(=O)CC[C@H](NNC(=S)N[C@H]2CCS(=O)(=O)C2)C1	6303370	VDNOSIVUSRWVGX-YUMQZZPRSA-N	327.453	-1.671	0	40	EAAB	
O=S1(=O)CC[C@H](S(=O)(=O)NCCCN2CCOCC2)C1	19912230	FXGUKHWPSBWIOQ-NSHDSACASA-N	326.440	-1.185	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	257237682	HHPOGLNVQOOAKO-QMMMGPOBSA-N	328.416	-2.529	0	40	EAAB	
Cn1cccc1C(=O)N1CCN(S(C)(=O)=O)C[C@H](C(N)=O)C1	257317254	VIZDRPOARVWWRU-SNVBAGLBSA-N	328.394	-1.156	0	40	EAAB	
C[C@H]1CN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C[C@H]1N(C)C	78896432	FVQFQLRUKYXOGT-WDEREUQCSA-N	348.407	-1.158	0	40	EAAB	
O=C1N[C@@H](CN2CCC(O)CC2)C(=O)N[C@H]1CN1CCC(O)CC1	1561451	YVWMOTCTCRWWFR-KBPBESRZSA-N	340.424	-2.117	0	40	EAAB	
NC(=O)C(NC(=O)NCc1cccc(N2CCCC2=O)c1)C(N)=O	48448456	BPUOWGXUXZQSBW-UHFFFAOYSA-N	333.348	-1.048	0	40	EAAB	
CNC(=O)[C@@]1(n2cccn2)CCCN(C(=O)CS(C)(=O)=O)C1	2055771871	GBNNPUZDUFMYKP-CYBMUJFWSA-N	328.394	-1.009	0	40	EAAB	
O=c1[nH]cnc2c1nc(N1CCCC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	3983876	ONFXBIPJPAWLNU-OJPPFWEXSA-N	337.336	-1.669	0	40	EAAB	
Cn1c(N)c(-n2[nH]c(=O)n(-c3ccccc3)c2=O)c(=O)n(C)c1=O	1566722	AJSOLFTVCMVGDZ-UHFFFAOYSA-N	330.304	-1.704	0	40	EAAB	
COc1ccc([C@@H](CC(=O)NC(C(N)=O)C(N)=O)NC(C)=O)cc1	71838228	VCDKVKUZIDTHKZ-LLVKDONJSA-N	336.348	-1.282	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(C2CCOCC2)C[C@H](C(N)=O)C1	257325852	WUSLGSUSVHFQHO-NSHDSACASA-N	334.442	-1.309	0	40	EAAB	
O=S1(=O)C[C@@H]2[C@H](C1)NC(=S)N2c1nc(O)c2nc[nH]c2n1	575422187	NBQRBMIUKHXNAA-CRCLSJGQSA-N	326.363	-1.081	0	40	EAAB	
Cn1c(=O)c2[nH]c(SCC(=O)N3CCOCC3)nc2n(C)c1=O	12139038	LUKTYZYSMZQAPO-UHFFFAOYSA-N	339.377	-1.089	0	40	EAAB	
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@](O)(CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	15657774	JCQLYHFGKNRPGE-HFZVAGMNSA-N	342.297	-5.396	0	40	EAAB	in-vitro
CC(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccc(C(=O)O)cc1	216303683	ZZGOODZEYMETHT-BIGJJFBESA-N	341.316	-1.293	0	40	EAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(C(C)C)C2)C1=O	225383406	FLSBJAMZYYWMDR-MNOVXSKESA-N	325.365	-1.574	0	40	EAAB	biogenic,in-vitro
CC(=O)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@H](O)[C@H]1O	253537472	BSPZZSXFWWMDMA-OZBAJCLESA-N	325.281	-1.704	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)Cn2cccn2)C[C@H](C(N)=O)C1	257201912	AJPVJKATPHATHL-JTQLQIEISA-N	329.382	-1.912	0	40	EAAB	
CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)[C@@H]1CCS(=O)(=O)C1	4545086	ZIJIVXQYSFDFGT-DTWKUNHWSA-N	331.437	-1.378	0	40	EAAB	
CNC(=O)[C@@H]1CN(Cc2cnn(C)c2)CCN(S(C)(=O)=O)C1	257279993	OJBIVEZUEQLUFZ-GFCCVEGCSA-N	329.426	-1.141	0	40	EAAB	
NCCC(=O)N1CCCCCCO[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C1	643586593	VIXRXQVFCMINBT-CTHBEMJXSA-N	334.413	-1.802	0	40	EAAB	
O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	4530279	OTXTVZCNOLCXPB-VEGXAWMVSA-N	343.332	-2.766	0	40	EAAB	
NS(=O)(=O)c1ccc(NC(=S)NC(CO)(CO)CO)cc1	5589155	LBBISAAICQXBQP-UHFFFAOYSA-N	335.407	-1.664	0	40	EAAB	
O=C(N[C@H](CO)C(=O)O)c1cccc(C(=O)N[C@H](CO)C(=O)O)c1	5944156	CBXLSTDTEWONFD-NXEZZACHSA-N	340.288	-1.963	0	40	EAAB	
Nc1nc(=O)c2c3c(N)ncnc3n([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2[nH]1	17064639	SNKLMUGPSNINBD-GTWRCXMXSA-N	349.307	-2.556	0	40	EAAB	
O=C(Nc1c[nH]c(=O)[nH]c1=O)C(=O)N[C@H](CO)Cc1ccccc1	12389449	RAJBYEDODOMHNP-JTQLQIEISA-N	332.316	-1.279	0	40	EAAB	
COc1cc(CCO)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	31156641	ZZDVZVBAZHPHLY-UXXRCYHCSA-N	330.333	-1.591	0	40	EAAB	biogenic,in-vitro
COc1ccc([C@@H](O)[C@H](C)O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	253529650	JYWSARFDLXXOHT-UNQBVYPQSA-N	344.360	-1.066	0	40	EAAB	endogenous,in-man
CNC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c1C(=O)NC	9349801	FGYOREMPAKONCG-JLRKFNOLSA-N	344.324	-3.425	0	40	EAAB	
N[C@H]1[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O	247658135	QLTSDROPCWIKKY-WHXFRSCZSA-N	340.329	-5.464	0	40	EAAB	
NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO)cc1	104040886	BHICWQFHRMFGGB-KXUCPTDWSA-N	348.333	-3.083	0	40	EAAB	
CCCCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCS(=O)(=O)C2)C1=O	5568792	AXPSDRGCSPNKJW-VIFPVBQESA-N	345.377	-1.119	0	40	EAAB	
O=C(Cn1cccn1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1	58344846	DYWDVXHTKTZEHG-UHFFFAOYSA-N	335.364	-1.587	0	40	EAAB	
N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2N)[C@@H]1O	247658120	QLTSDROPCWIKKY-COYMZBLLSA-N	340.329	-5.464	0	40	EAAB	
Cn1ccnc1CN[C@@H]1CO[C@H](CNC(=O)N2CCOCC2)[C@H]1O	77265055	IPMCRNJLEPXJOI-BZPMIXESSA-N	339.396	-1.320	0	40	EAAB	biogenic,in-vitro
OC[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	599389315	GUBGYTABKSRVRQ-USEUFPKBSA-N	342.297	-5.397	0	40	EAAB	
C[C@H](NC(=O)[C@H](O)C[C@H](N)C(=O)O)C(=O)[C@@H]1[C@@H]2CCCC(=O)[C@H]21	1772591592	HLFBOKDRNZMEAJ-YCDUMVLESA-N	326.349	-1.162	0	40	EAAB	
CN1CCN([C@@H]2[C@H](O)[C@H](CO)O[C@@H]2CNC2CCOCC2)CC1	20465186	KKUHGHXXNPFDJB-FXUDXRNXSA-N	329.441	-1.508	0	40	EAAB	biogenic,in-vitro
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O	33832141	SWHCKWOYUSDWOF-RGCYKPLRSA-N	332.305	-1.412	0	40	EAAB	biogenic
O=C([C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12)N1CCOCC1	257327626	XCCVDYGUNNMLII-NKVFNZCDSA-N	348.377	-3.428	0	40	EAAB	
Cn1ncc2c(=O)n(CC(=O)N[C@]3(C)CCS(=O)(=O)C3)cnc21	40463387	CSJYHRDIMPAKNM-CYBMUJFWSA-N	339.377	-1.177	0	40	EAAB	
NS(=O)(=O)c1ccc(NC(=O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)CO)cc1	104040889	BHICWQFHRMFGGB-UTLUCORTSA-N	348.333	-3.083	0	40	EAAB	
CC(=O)N1CCC(O)(CN2C[C@@H](O)[C@H](NS(C)(=O)=O)C2)CC1	257246445	IUEJUROCDULXKH-VXGBXAGGSA-N	335.426	-2.046	0	40	EAAB	
Cn1c(=O)c2c(nc(NCc3ccco3)n2C[C@@H](O)CO)n(C)c1=O	2595444	XNVHAGBZNLSIQK-SECBINFHSA-N	349.347	-1.008	0	40	EAAB	
CC1(C)O[C@H]2[C@@H](CS(C)(=O)=O)O[C@H](n3ncc(=O)[nH]c3=O)[C@@H]2O1	6015237	WJOLFGCXPCLESC-NEPJDUFXSA-N	347.349	-1.606	0	40	EAAB	
COc1cc(C)c(S(=O)(=O)N(CC(N)=O)CC(N)=O)cc1OC	69813860	HCWNLMMDZKOONZ-UHFFFAOYSA-N	345.377	-1.026	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC1	102332100	GUXQSXRUBRLQFO-NAKRPEOUSA-N	332.378	-1.032	0	40	EAAB	
CS(=O)(=O)N1CCO[C@H]2CN(C(=O)Cn3ccccc3=O)C[C@H]21	1565552831	YFQQOVUAZPGBNE-NEPJUHHUSA-N	341.389	-1.281	0	40	EAAB	
N[C@H]1[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O	2060993440	QLTSDROPCWIKKY-QRQJNGMPSA-N	340.329	-5.464	0	40	EAAB	
COC(=O)Cn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C	20354961	QRYHWQWQPOBQIB-UHFFFAOYSA-N	337.336	-1.572	0	40	EAAB	
NC(=O)C(NC(=O)CS(=O)(=O)c1ccc(Cl)cc1)C(N)=O	42789350	DQSROQINYAOGOM-UHFFFAOYSA-N	333.753	-1.431	0	40	EAAB	
O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](COP(=O)(O)O)O1	4531685	PHNGFPPXDJJADG-ACZMJKKPSA-N	332.209	-1.123	0	40	EAAB	biogenic
C[C@@H](NC(=O)C1=C[C@@H](NC(=O)CC(C)(C)C)[C@@H](O)[C@H](O)C1)C(N)=O	5881090	DZSDYPVAASWCFO-UORFTKCHSA-N	341.408	-1.051	0	40	EAAB	biogenic,in-vitro
O=C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CCN1	71839599	JMUDKLCOSRNERO-UHFFFAOYSA-N	345.153	-1.352	0	40	EAAB	
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(CN(CC3CC3)C2)C1=O	225383452	XTYGSKUNBCPVOH-NEPJUHHUSA-N	337.376	-1.572	0	40	EAAB	biogenic,in-vitro
CCCCN(CC(N)=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	45811564	BKJNMNVYPRWVPQ-UHFFFAOYSA-N	332.382	-1.640	0	40	EAAB	
Cn1c(=O)c2cc(C(=O)N3CC[C@H](C(N)=O)C3)cnc2n(C)c1=O	53893743	YYYPSEITDRHCGH-QMMMGPOBSA-N	331.332	-1.420	0	40	EAAB	
O=C1[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C(=O)N1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](O3)[C@@H]2C1=O	100643698	ACOHYWQXMGRSAG-LZLFJDODSA-N	328.280	-1.222	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N2CCOCC2)C[C@@H](C(N)=O)C1	257242693	IDSKMZPLZUESIA-LLVKDONJSA-N	348.425	-2.476	0	40	EAAB	
Cn1c(=O)c2c(nc(Cl)n2CC(=O)N2CCOCC2)n(C)c1=O	112198	HNZHDEWAFNIFNM-UHFFFAOYSA-N	341.755	-1.054	0	40	EAAB	
Cn1c(=O)c2c(nc(N3CCOCC3)n2C[C@@H](O)CF)n(C)c1=O	13207418	NXGATSPLCSOVRH-VIFPVBQESA-N	341.343	-1.399	0	40	EAAB	
OCC1=C[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	13407254	RJWJHRPNHPHBRN-MDRZJINZSA-N	346.332	-2.802	0	40	EAAB	
N[C@@H](CCC(=O)N1C[C@H](O)[C@@H](n2ccc(O)nc2=O)C1)C(=O)O	2037819083	BLXLPOKPTDGFRU-CIUDSAMLSA-N	326.309	-2.115	0	40	EAAB	
O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO	5411523	KJQANYPAJANIAC-JAYKAKCYSA-N	329.393	-1.493	0	40	EAAB	
COC(=O)c1ccc(C)c(S(=O)(=O)N(CC(N)=O)CC(N)=O)c1	69813810	ASLBRIPJBGLHNP-UHFFFAOYSA-N	343.361	-1.257	0	40	EAAB	
CNC(=O)[C@H]1CN(CC2(O)CCOCC2)CCN(S(C)(=O)=O)C1	585263117	MAWYPIBXDCTFLZ-LBPRGKRZSA-N	349.453	-1.533	0	40	EAAB	
CC[C@H](C(N)=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	69982764	FNMOLDWOXJGOJI-GFCCVEGCSA-N	333.458	-1.640	0	40	EAAB	
NC[C@@H]1CC[C@H](CC(N)=O)N1C(=O)CCN1C(=O)CCNC1=O	257291137	QFVAQTJIZLEMFE-ZJUUUORDSA-N	325.369	-1.488	0	40	EAAB	
CC(=O)NCCC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(C(C)=O)C2)C1	514288528	BZLCXOBIJNIHFW-ZIAGYGMSSA-N	338.408	-1.609	0	40	EAAB	biogenic,in-vitro
CS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3CC[C@H](O3)[C@@H]2C(=O)O)CC1	102332095	GUXQSXRUBRLQFO-MMWGEVLESA-N	332.378	-1.032	0	40	EAAB	
O=c1nc[nH]c2c1ncn2[C@@H]1C[C@@H](O)[C@H](COP(=O)(O)O)O1	3869877	PHNGFPPXDJJADG-VQVTYTSYSA-N	332.209	-1.123	0	40	EAAB	biogenic
NC(=S)c1c(N)n([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c2ncnc(N)c12	5011622	HPCAEYRDTFITHI-YJMZUNRSSA-N	340.365	-2.159	0	40	EAAB	
COC(=O)[C@@H](CC(C)C)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	9048403	HUPUFBIUBGPLPS-SECBINFHSA-N	347.393	-1.050	0	40	EAAB	
OCC1=C[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	253617507	RJWJHRPNHPHBRN-YUYLHFICSA-N	346.332	-2.802	0	40	EAAB	
OCC1=C[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	2049243874	RJWJHRPNHPHBRN-XBDKJIPWSA-N	346.332	-2.802	0	40	EAAB	
NC(=O)C(=O)NCCc1ccc(S(=O)(=O)N2CCOCC2)cc1	22229477	BXANVUIBSCMRHM-UHFFFAOYSA-N	341.389	-1.149	0	40	EAAB	
COCCNC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(COC)nn1	1549160246	BQXOHUMNBOMKEJ-QJPTWQEYSA-N	329.357	-1.502	0	40	EAAB	
O=C(CN1CCS(=O)(=O)CC1)N1CCN(c2cnccn2)CC1	45057650	RPMGPMRWBVXUJJ-UHFFFAOYSA-N	339.421	-1.144	0	40	EAAB	
O=C1OC[C@@]23CC(=O)[C@@](O)(c4oc(CO)cc(=O)c4O)[C@H](C[C@H]12)O3	104204935	RWGQGHBQZAGYRO-WPLOPGTDSA-N	338.268	-1.301	0	40	EAAB	
O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@](O)(CN2CCOCC2)C1	257302496	SDDQOGQULJLKSH-GXTWGEPZSA-N	332.422	-1.283	0	40	EAAB	
N#CN(CC(N)=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1	110885	NCFHTILRWWRGCV-UHFFFAOYSA-N	348.367	-1.682	0	40	EAAB	
COC(=O)CCN1CCN(S(=O)(=O)N2CCN(C)CC2)CC1	32928791	YZFDVZBFKVVUIQ-UHFFFAOYSA-N	334.442	-1.341	0	40	EAAB	
C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O	255985787	LOGFVTREOLYCPF-BJDJZHNGSA-N	344.412	-1.616	0	40	EAAB	
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1	19372010	YAIZKEZVKZFQNC-UHFFFAOYSA-N	349.395	-2.334	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(c2cc(-n3cncn3)ncn2)CC1	206910600	QJGVTZNHTHWLRI-UHFFFAOYSA-N	338.397	-1.014	0	40	EAAB	
O=c1[nH]c(O)c(C(c2ccccn2)c2c(O)[nH]c(=O)[nH]c2=O)c(=O)[nH]1	8425859	ILFXPJLQRLHDMW-UHFFFAOYSA-N	345.271	-1.574	0	40	EAAB	
COCCn1c(N)c(C(=O)CN2CCO[C@H](C)C2)c(=O)[nH]c1=O	44893025	HUPQSVGCRJIWIP-SECBINFHSA-N	326.353	-1.331	0	40	EAAB	
CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O)[C@H](O)[C@H]1OC(C)=O	19877928	ZQLBHQSQMQLFBM-FDFVQJQPSA-N	348.304	-1.551	0	40	EAAB	
COC(=O)CNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	41780216	KQSCSRDIQKVOQW-MRVPVSSYSA-N	331.350	-1.559	0	40	EAAB	
Nc1ncn([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2ncnc1-2	1560705	YXKYJBZIZFOEPY-HGOUYRHRSA-N	347.224	-1.911	0	40	EAAB	
CC(=O)NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COC(=O)c1ccccc1	5063313	OOKFNXQNFKPUCA-AAVRWANBSA-N	327.333	-1.577	0	40	EAAB	
CN(C)CCNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	585291325	NOMGYDXELMOQBH-CABCVRRESA-N	343.449	-1.066	0	40	EAAB	
NC(=O)c1ncn([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c1N	3869392	NOTGFIUVDGNKRI-HFXAWCPLSA-N	338.213	-2.707	0	40	EAAB	in-vitro,metabolite
C[C@]1(O)CC[C@H]2C=CO[C@H](O[C@H]3O[C@@](O)(CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]21	33986419	OUJVIWOUXFHELC-WVFUVSCWSA-N	348.348	-2.230	0	40	EAAB	
Cc1cc(C(=O)NCC(=O)N2CCN(S(C)(=O)=O)CC2)n(C)n1	40757740	MMQXBXXFYRMAJN-UHFFFAOYSA-N	343.409	-1.438	0	40	EAAB	
O=C1N[C@H](CN2CCC(O)CC2)C(=O)N[C@@H]1CN1CCC(O)CC1	1561454	YVWMOTCTCRWWFR-ZIAGYGMSSA-N	340.424	-2.117	0	40	EAAB	
CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](O)[C@H]1O	39945503	ZQLBHQSQMQLFBM-KXSLGULGSA-N	348.304	-1.551	0	40	EAAB	in-vitro
COC(=O)CN1C(=N)N(c2nc(N(C)C)nc(N(C)C)n2)CC1=O	3147636	QFNIKBSXXKVUAN-UHFFFAOYSA-N	336.356	-1.240	0	40	EAAB	
Nc1nc(Br)c2ncn([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)c2n1	4743794	JEAGSZXYGSYKJX-FULWYAMNSA-N	346.141	-1.218	0	40	EAAB	
O=C1N[C@@H]2[C@@H](c3cc4c(c(O)c31)OCO4)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O	8659506	VREZDOWOLGNDPW-XTVLSVQWSA-N	325.273	-2.226	0	40	EAAB	
CC(=O)N1CCCN(C[C@@H]2OC[C@H](NS(C)(=O)=O)[C@H]2O)CC1	514289684	YGBAPNWVNCTFGW-RWMBFGLXSA-N	335.426	-1.782	0	40	EAAB	biogenic,in-vitro
CN(C)S(=O)(=O)N1CC[C@@H]2CN(S(C)(=O)=O)CCO[C@@H]2C1	2055729705	AFNLEXNXBKDELV-GHMZBOCLSA-N	341.455	-1.225	0	40	EAAB	
O=P(O)(O)O[C@H]1[C@H](CO)O[C@H](n2cnc3c(O)ncnc32)[C@@H]1O	584578831	XALREVCCJXUVAL-HUEBKHCJSA-N	348.208	-1.740	0	40	EAAB	
COc1ccc([C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](C)O)cc1	35465314	IBLFDTIZHJLTIF-GVZBAGNBSA-N	344.360	-1.066	0	40	EAAB	biogenic,in-man
O=P(O)(O)OC[C@H]1O[C@@](O)(COP(=O)(O)O)[C@H](O)[C@H]1O	44168755	RNBGYGVWRKECFJ-MOJAZDJTSA-N	340.114	-2.986	0	40	EAAB	
O=C(O)CNC(=O)CNC(=O)Cn1nc2c(cc1=O)CCCCC2	49549172	OLMFJCQXBLDYKT-UHFFFAOYSA-N	336.348	-1.171	0	40	EAAB	
CC(=O)N1CCC(N[C@@H]2[C@H]3CO[C@H](O3)[C@H](n3cncn3)[C@H]2O)CC1	1534639820	HTHJGBJUEVWFTN-ARILJUKYSA-N	337.380	-1.096	0	40	EAAB	
OC[C@@H]1O[C@H](n2cnc3c(N4CCOCC4)ncnc32)[C@H](O)[C@@H]1O	4159268	BTFFXIPHHREHCW-AGSIJNCFSA-N	337.336	-1.726	0	40	EAAB	
CC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1Oc1ccccc1C=O	13382195	DIOIKYCIVSLRPT-QTVXIADOSA-N	325.317	-1.178	0	40	EAAB	
COCCN1CCO[C@H]2CN(S(=O)(=O)N(C)C)CC[C@H]2C1=O	96107092	IDLZFGVAYHWQAF-NEPJUHHUSA-N	335.426	-1.012	0	40	EAAB	
C[C@@]1(O)CN(C(=O)[C@@H](N)CC(=O)O)CC[C@H]1n1ccc(O)nc1=O	257275070	NNTYNVHBWUTTGH-ATEUNZGCSA-N	340.336	-1.725	0	40	EAAB	
CC(=O)NCC(=O)N1CC[C@](O)(CN2CCC(NC(C)=O)CC2)C1	257327963	XDNXNNNSYJJJSX-INIZCTEOSA-N	340.424	-1.314	0	40	EAAB	
O=C(Cn1cc(Cl)cn1)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586290	VDCZNQLIWBBWBE-BZPMIXESSA-N	344.799	-1.199	0	40	EAAB	
CC1(C)O[C@@H]2O[C@@H](C(=O)NCC(N)=O)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	5027511	ZNMJIWKPLYNJEA-KNDBQHFLSA-N	330.337	-1.016	0	40	EAAB	
COC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1	20724084	MMCUVDJUPQTGKD-UHFFFAOYSA-N	331.350	-1.055	0	40	EAAB	
NC(=O)c1ccc(C(=O)N2CC(O)(CNC(=O)CN3CCCC3)C2)[nH]1	1043127767	POCROMQFKIGQTE-UHFFFAOYSA-N	349.391	-1.488	0	40	EAAB	
OC[C@@H]1O[C@](CO)(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O	4556538	CZMRCDWAGMRECN-BHSGDFDISA-N	342.297	-5.396	0	40	EAAB	in-man
C[C@H]1CN(C(=O)Cn2ccc(=O)n(C)c2=O)C[C@@H]1N1CCOCC1	76051147	SLMUTGDHAYBZHN-STQMWFEESA-N	336.392	-1.274	0	40	EAAB	
CCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O	4544082	HMFDVPSBWOHOAP-YUMQZZPRSA-N	335.382	-1.383	0	40	EAAB	in-vitro
C[C@]12C[C@H]3CN(C(=O)CN4C(=O)CNC4=O)C[C@H](CC[C@@H]1N3)[C@H]2O	257297480	RHKCRGCCYCXCMF-ROTRXOLRSA-N	336.392	-1.112	0	40	EAAB	
CN1CCCN(CC(N)=O)CCN(CC(N)=O)CCCN(C)CC1	68604752	BWCDXNNCUMXSNH-UHFFFAOYSA-N	342.488	-1.782	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](Oc2ccccc2C(=O)O)O[C@@H](CO)[C@@H](O)[C@@H]1O	5197077	CPWDQTVVDKAHLL-WHPHWUKISA-N	341.316	-1.293	0	40	EAAB	
COC(=O)Cn1ncc2c(NCc3c[nH]c(=O)[nH]c3=O)ncnc21	72296191	KJELDHVAMYLLTQ-UHFFFAOYSA-N	331.292	-1.012	0	40	EAAB	
NCCCC[C@H](NC(=O)[C@H](C[C@H]1C=NC=N1)NC(=O)CN)C(=O)O	103638770	GOIFQVQMXRRUSW-DCAQKATOSA-N	340.384	-2.000	0	40	EAAB	
CC(=O)N[C@H]1[C@@H]([C@@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@H]1NC(=N)N	299805743	ARAIBEBZBOPLMB-WVNOCHIKSA-N	332.313	-3.576	0	40	EAAB	
CCN(CC)S(=O)(=O)N1CCN(Cc2nc(N)nc(N)n2)CC1	35982584	BCMYNRDIWZZRTJ-UHFFFAOYSA-N	344.445	-1.260	0	40	EAAB	
CNC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c1C(=O)NC	9412144	FGYOREMPAKONCG-VKDLNQPJSA-N	344.324	-3.425	0	40	EAAB	
CN(C)S(=O)(=O)N1CCN(S(=O)(=O)CCCC(=O)O)CC1	37836650	XBQPJLSQTBRWPX-UHFFFAOYSA-N	343.427	-1.395	0	40	EAAB	
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)N1CCO[C@H](CN(C)C)C1	69737715	UYLSGOFHVGJITE-JHJVBQTASA-N	333.454	-1.059	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O	72283167	GUBGYTABKSRVRQ-LMOQYUSOSA-N	342.297	-5.397	0	40	EAAB	in-vitro
NC(=S)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12	4822744	XZOKDXWQSCIKCM-VBKWPLKRSA-N	325.350	-1.741	0	40	EAAB	
O=C(O)c1cc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1	95620773	YPSNWSNUXIIKHO-YANYRWCTSA-N	332.261	-2.025	0	40	EAAB	endogenous,in-man
CS(=O)(=O)NC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O	4824161	VVVQNXIPTOHGCZ-SYKDKJQZSA-N	344.353	-2.423	0	40	EAAB	
CNC(=O)[C@H]1CN(C2CCOCC2)CCN(S(=O)(=O)N(C)C)C1	257258605	KUSYOGUZBGMLOO-LBPRGKRZSA-N	348.469	-1.048	0	40	EAAB	
COCC(=O)NC[C@@]1(O)CCN(Cc2cnc(O)nc2O)C[C@@H]1O	257211897	CAZILPDKUUKMOL-HZMBPMFUSA-N	342.352	-2.052	0	40	EAAB	
O=c1nc(NC[C@@H]2CCCO2)ccn1[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	5496485	APGXZLVKNYUQBH-MAMCYAMTSA-N	327.337	-1.554	0	40	EAAB	
CSCC[C@@H](C(=O)O)N(C[C@]1(O)OC[C@@H](O)[C@@H](O)[C@H]1O)N=O	5812406	SRNXMKFKDGBPJW-FNBUAPEOSA-N	340.354	-2.022	0	40	EAAB	
O=CN(CCO[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1	217395432	MLEMKARNKMEHQD-QWRGUYRKSA-N	325.408	-1.164	0	40	EAAB	
CCOC(=O)[C@@]1(CS(C)(=O)=O)OC(=O)C(O)=C1S(C)(=O)=O	20029259	OPPBNXRIGPRBSJ-JTQLQIEISA-N	342.347	-1.296	0	40	EAAB	
CC(=O)N1CCN(c2c(NCCN3CCOCC3)c(=O)c2=O)CC1	101442280	APRTUHKWGANVHV-UHFFFAOYSA-N	336.392	-1.305	0	40	EAAB	
CC(=O)NC1CCN(C[C@]2(O)CCN(S(=O)(=O)N(C)C)C2)CC1	257275494	NPPZPSXJLQZTAA-CQSZACIVSA-N	348.469	-1.170	0	40	EAAB	
O=C1NC(=O)C([C@H]2c3ccccc3O[C@H]3NC(=O)NC(=O)[C@@H]23)C(=O)N1	6243658	XNPQLYJTKLQWNE-HUQFOHBGSA-N	344.283	-1.074	0	40	EAAB	
CC(=O)N[C@H](C)C(=O)N[C@H]1[C@H](C)OC(=O)C2=C(O)C[C@@H](O)[C@@H](O)[C@H]21	104135742	NJJYAZPQTKXTOQ-GTCIOWSDSA-N	342.348	-1.505	0	40	EAAB	
O=C(Cn1cncn1)N1CCN(c2ccc(-n3cncn3)nn2)CC1	96124289	UCBVYBLXPIWNFU-UHFFFAOYSA-N	340.351	-1.002	0	40	EAAB	
C[C@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCCN)C(=O)O	34317953	LOGFVTREOLYCPF-USZNOCQGSA-N	344.412	-1.616	0	40	EAAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(N)=O)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	245380461	ZNMJIWKPLYNJEA-LNGZZDABSA-N	330.337	-1.016	0	40	EAAB	
Cn1c(N)c(C(=O)CN(CC(N)=O)C2CCCC2)c(=O)n(C)c1=O	47274415	DMGDSINDGFDICV-UHFFFAOYSA-N	337.380	-1.421	0	40	EAAB	
CC(=O)N[C@H]1[C@H](NC(=O)CCCCCN)O[C@H](CO)[C@@H](O)[C@@H]1O	77269473	NLQMXQHRYQBRAG-DKTYCGPESA-N	333.385	-2.435	0	40	EAAB	in-vitro
CN(C)S(=O)(=O)N1C[C@@H]2COC[C@]2(CNS(C)(=O)=O)C1	96108352	CDLPUKCDNWUDKC-ZJUUUORDSA-N	327.428	-1.710	0	40	EAAB	
C[C@@]1(C(=O)NCCN2CCCC2=O)CN(S(C)(=O)=O)CCO1	257213794	CJBVZYIEIIZALX-ZDUSSCGKSA-N	333.410	-1.225	0	40	EAAB	
O=C1CC[C@H](C(=O)N2CCN(c3ccc(-n4cncn4)nn3)CC2)N1	208001702	KQSAVZKNNCBOAU-LLVKDONJSA-N	342.363	-1.016	0	40	EAAB	
COc1c(O)cc2c(c1O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	4104806	YWJXCIXBAKGUKZ-DWZLZECDSA-N	328.273	-1.201	0	40	EAAB	biogenic,in-vitro
O=C1C=CC(=O)N1[C@@H](O)COCCOC[C@H](O)N1C(=O)C=CC1=O	113434415	MNEYVUUWQVAEHQ-KBPBESRZSA-N	340.288	-2.494	0	40	EAAB	
NC(=O)C(NC(=O)NC[C@@H]1CCN(CC(F)(F)F)C1)C(N)=O	45440745	MQCWTMOLXLTGHT-LURJTMIESA-N	325.291	-1.491	0	40	EAAB	
O=C(CN1C(=O)CNC1=O)N1CC[C@@](O)(CN2CCOCC2)C1	257222669	DUGGVXMRAOWMKW-CQSZACIVSA-N	326.353	-2.166	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)c2cnn(C)c2)CCN(S(C)(=O)=O)C1	257292591	QMFLDTRFPLORFY-NSHDSACASA-N	343.409	-1.500	0	40	EAAB	
O=S(=O)(O)CCNC(=S)C(=S)NCCS(=O)(=O)O	1759661	AATGZJNACTTWRT-UHFFFAOYSA-N	336.438	-1.404	0	40	EAAB	
CNC(=O)[C@H]1CN(S(C)(=O)=O)CCN(S(=O)(=O)N(C)C)C1	257344580	ZXXKETGLJRZYAG-VIFPVBQESA-N	342.443	-2.268	0	40	EAAB	
O=C1N[C@H](CN2CCC[C@@H](O)C2)C(=O)N[C@@H]1CN1CCC[C@H](O)C1	5385088	DSJUHUOKWQTIBM-XJFOESAGSA-N	340.424	-2.117	0	40	EAAB	
Cn1nccc1CN1CC[C@@](O)(CNC(=O)c2cnccn2)[C@H](O)C1	257272947	NENTVFBAOFZOJR-GDBMZVCRSA-N	346.391	-1.062	0	40	EAAB	
Nc1[nH]c(=O)[nH]c(=O)c1C(c1ccccc1)c1c(N)[nH]c(=O)[nH]c1=O	4603661	VQCHKDGJSOFCJX-UHFFFAOYSA-N	342.315	-1.216	0	40	EAAB	
Nc1ncn([C@@H]2O[C@H](CO[P@](N)(=O)O)[C@@H](O)[C@@H]2O)c2ncnc1-2	17105301	XXMJFALDJQNNLC-UHTZMRCNSA-N	346.240	-1.945	0	40	EAAB	
COC(=O)NCC(=O)N1CCC[C@H](C(=O)NCCNC(C)=O)C1	1527052629	QGQFNHVPVWQWOV-NSHDSACASA-N	328.369	-1.167	0	40	EAAB	
O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@H]1O	8613164	GRSZFWQUAKGDAV-GAWUUDPSSA-N	348.208	-1.740	0	40	EAAB	in-vitro
CN1CCC[C@H](N(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)C1	95961878	QLCJOXKVLVRRGK-JTQLQIEISA-N	330.410	-1.201	0	40	EAAB	
CC(=O)N[C@H](C)C(=O)N[C@@H]1[C@@H](C)OC(=O)C2=C(O)C[C@@H](O)[C@@H](O)[C@H]21	104135746	NJJYAZPQTKXTOQ-JUYZOCHXSA-N	342.348	-1.505	0	40	EAAB	
CN1C(=O)C(n2[nH]c(=O)n(-c3ccccc3)c2=O)C(=O)N(C)C1=O	1566724	XEWADLPKYNLKSB-UHFFFAOYSA-N	331.288	-1.081	0	40	EAAB	
O=C(CO)[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	4353176	RULSWEULPANCDV-CLIKAOFFSA-N	342.297	-5.553	0	40	EAAB	
O=C(NCCn1nc(-n2cncn2)ccc1=O)c1cc(=O)[nH]c(=O)[nH]1	96097953	UYOHVIAUULBKOL-UHFFFAOYSA-N	344.291	-2.369	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	13543975	GUBGYTABKSRVRQ-PZPXDAEZSA-N	342.297	-5.397	0	40	EAAB	endogenous,in-man
COC(=O)[C@H]1N[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)SC1(C)C	5639492	SGIHDTCYLFWNOK-BHQVJMJVSA-N	325.383	-2.595	0	40	EAAB	
CC(=O)N1CCC(N[C@@H]2CO[C@H](CNS(C)(=O)=O)[C@H]2O)CC1	77264498	FIQZFTFXIJNVLB-UPJWGTAASA-N	335.426	-1.736	0	40	EAAB	biogenic,in-vitro
Cn1c(=O)c2c(nc(NCc3ccco3)n2C[C@H](O)CO)n(C)c1=O	67731	XNVHAGBZNLSIQK-VIFPVBQESA-N	349.347	-1.008	0	40	EAAB	
CCOC(=O)[C@]1(CS(C)(=O)=O)OC(=O)C(O)=C1S(C)(=O)=O	20029260	OPPBNXRIGPRBSJ-SNVBAGLBSA-N	342.347	-1.296	0	40	EAAB	
Cc1cc(=O)oc2cc(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O)ccc12	103663265	ISEMOBRAVPOHFL-BKQXGZDCSA-N	338.312	-1.333	0	40	EAAB	
O=C1CN(S(=O)(=O)N2CCOCC2)CCN1c1ncc(F)cn1	1775985827	AEERJGNRERGACH-UHFFFAOYSA-N	345.356	-1.159	0	40	EAAB	
CC12CN3CC(C)(CN(C1)C3[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C2O	19323021	SROWMOMOKMQMBI-NLAAWAEMSA-N	332.397	-3.233	0	40	EAAB	
NCCC(=O)N[C@@H]1CC[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O	257237118	HFGAAVRSQWODSY-GAJNKVMBSA-N	335.368	-1.701	0	40	EAAB	
Cn1c(=O)c2c(ncn2CCn2nc3ccccn3c2=O)n(C)c1=O	32777055	WRZJFIQXBPCZIA-UHFFFAOYSA-N	341.331	-1.057	0	40	EAAB	
CN1CCCN(CCN)CCN(CC(N)=O)CCCN(C)CC1	68604143	WRHAPQYBYNOUIT-UHFFFAOYSA-N	328.505	-1.308	0	40	EAAB	
Cn1nnc([C@@H](O)CN2CCN(C[C@H](O)c3nnn(C)n3)CC2)n1	22035545	HCYDERIELJCZNX-UWVGGRQHSA-N	338.376	-2.882	0	40	EAAB	
O=C(NCCCN1CCOCC1)C(=O)NCCN1CCOCC1	38717978	YOKDNAKTSKWOOY-UHFFFAOYSA-N	328.413	-1.727	0	40	EAAB	
CC(C)(C)OC(=O)N1CC(NC(=O)[C@@H]2COCCO2)(C(N)=O)C1	585079465	OIYYJEXTUPPRTF-VIFPVBQESA-N	329.353	-1.007	0	40	EAAB	
CCS(=O)(=O)C([C@H](O)[C@H](O)[C@H](O)[C@@H](C)O)S(=O)(=O)CC	5437757	GAYPCIYXXTVAMZ-FNCVBFRFSA-N	334.412	-2.355	0	40	EAAB	
O=S1(=O)CC[C@H](NNC(=S)N[C@@H]2CCS(=O)(=O)C2)C1	6303360	VDNOSIVUSRWVGX-SFYZADRCSA-N	327.453	-1.671	0	40	EAAB	
CC(=O)N[C@H]1[C@@H](Oc2ccccc2C=O)O[C@@H](CO)[C@@H](O)[C@@H]1O	4088064	DIOIKYCIVSLRPT-JARUQAPTSA-N	325.317	-1.178	0	40	EAAB	
CO[C@H]1O[C@H](OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O	95627347	BRJNDIXPWSJTGH-PUGXJXRHSA-N	344.313	-5.150	0	40	EAAB	
Cc1nccc(C(=O)N2CC[C@@](O)(CNS(C)(=O)=O)[C@H](O)C2)n1	257270127	MSWWOLKWLNHRKZ-DGCLKSJQSA-N	344.393	-1.728	0	40	EAAB	
OC[C@@H]1O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)[C@H](O)[C@@H]1O	4159269	BTFFXIPHHREHCW-CYFJXOGMSA-N	337.336	-1.726	0	40	EAAB	
Nc1nccnc1C(=O)N1CCN(C(=O)CN2CCOCC2)CC1	36713626	CFHIOTWIYNHGFG-UHFFFAOYSA-N	334.380	-1.325	0	40	EAAB	
COC(=O)[C@@H]1N[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)SC1(C)C	5639493	SGIHDTCYLFWNOK-MMDZMLKVSA-N	325.383	-2.595	0	40	EAAB	
Cn1c(=O)c2c(ncn2CCNC(CO)(CO)CO)n(C)c1=O	3983853	FZKJGONGWRYXLO-UHFFFAOYSA-N	327.341	-3.261	0	40	EAAB	biogenic
Nc1ncnc2[nH]c(S[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)nc12	4824175	VHJCJYPMHZRSFT-NUPWSADLSA-N	329.338	-2.173	0	40	EAAB	
CC(C)(C)OC(=O)NCC(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	36367411	JCDVXIPESUHXEV-OLSRCRKSSA-N	337.325	-2.146	0	40	EAAB	biogenic
Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCN(S(C)(=O)=O)CC1	36708417	ZTDNEUKGKMAVHJ-UHFFFAOYSA-N	330.366	-1.982	0	40	EAAB	
CN(C)S(=O)(=O)N1CC[C@@]2(C[C@@H](NS(C)(=O)=O)CCO2)C1	96107886	PJHGSWLJJIGUBP-WDEREUQCSA-N	341.455	-1.035	0	40	EAAB	
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)NCC(=O)O)[C@@H](O)[C@H]1O	5010515	MJEKUTDBGOEGON-HIHLCYOISA-N	338.280	-2.772	0	40	EAAB	
Cn1nccc1C(=O)N1CC[C@]2(Cc3nn(C)c(=O)c(=O)n3C2)C1	306139560	TUFXLXYZAMAUEM-HNNXBMFYSA-N	330.348	-1.236	0	40	EAAB	
CS(=O)(=O)N[C@@H]1CCCN(C(=O)Nc2cnn(CC(N)=O)c2)C1	65492913	OJOGAFIIFGISPC-SECBINFHSA-N	344.397	-1.086	0	40	EAAB	
CS(=O)(=O)NCC(=O)N1CCOC[C@H](Cc2cc(O)ncn2)C1	257262666	LMIAWRQETDVIET-SNVBAGLBSA-N	344.393	-1.251	0	40	EAAB	
O=C(O)CSCC(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1	567504013	GIDIVXWLSAKKHX-UHFFFAOYSA-N	329.378	-1.246	0	40	EAAB	
NC(=S)c1cn([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c2nc[nH]c(=O)c12	9703613	BVSMGATZUKRHIJ-VBKWPLKRSA-N	326.334	-2.030	0	40	EAAB	
COC(=O)[C@@H]1O[C@@H](Sc2ncnc3[nH]cnc23)[C@@H](O)[C@@H](O)[C@H]1O	8651709	PJFRVIWMZDBMEC-XTKNIRHUSA-N	342.333	-1.574	0	40	EAAB	
OC[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	44185569	GUBGYTABKSRVRQ-SQNOUCBBSA-N	342.297	-5.397	0	40	EAAB	
O=CNCCN(C=O)CCNS(=O)(=O)[C@@H]1CCS(=O)(=O)C1	217401274	VASUKPIHWZYNBM-SNVBAGLBSA-N	341.411	-2.703	0	40	EAAB	
O=C(CCCCCCC(=O)N(CCO)CCO)N(CCO)CCO	4832368	YBUNZZPYCUUCIB-UHFFFAOYSA-N	348.440	-1.047	0	40	EAAB	
O=S(=O)(O)C1C[C@@H](S(=O)(=O)O)N[C@H](S(=O)(=O)O)C1	5496339	TWCKTOPIQHDKGX-RFZPGFLSSA-N	325.342	-1.946	0	40	EAAB	
CS(=O)(=O)N1CCN(CC(=O)N2CCCC2)C[C@H](C(N)=O)C1	257334576	YGMSCDIJNYKBSG-NSHDSACASA-N	332.426	-1.713	0	40	EAAB	
CN1CCC[C@]1(C)C(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586238	NKODZKNVPLQOLP-HGTKMLMNSA-N	327.425	-1.265	0	40	EAAB	
NC(=O)c1csc([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)n1	5461003	XDDGVTBJYGSVPM-BDVNFPICSA-N	340.250	-1.487	0	40	EAAB	
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CCCCN)C(=O)O	3798304	LOGFVTREOLYCPF-WYUUTHIRSA-N	344.412	-1.616	0	40	EAAB	
Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1N	13511986	NJQONZSFUKNYOY-JXOAFFINSA-N	337.225	-2.138	0	40	EAAB	in-vivo
OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253615137	HIWPGCMGAMJNRG-HCWCNFHFSA-N	342.297	-5.397	0	40	EAAB	in-vitro
OCC1=C[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	4073951	RJWJHRPNHPHBRN-DHUSWFQYSA-N	346.332	-2.802	0	40	EAAB	biogenic
CN(CC(N)=O)C[C@@H]1CN(C(=O)NC[C@@H]2CCCN2C)CCO1	548679726	QOKKLSFNVBOTIW-QWHCGFSZSA-N	327.429	-1.092	0	40	EAAB	
NC(=O)CCNC[C@]1(O)CN(S(=O)(=O)c2ccccc2)C[C@H]1O	585290437	BFRQYZXEUDGKLI-OCCSQVGLSA-N	343.405	-1.752	0	40	EAAB	
CC(=O)N[C@@H]1[C@@H](O)CO[C@@H]1Cn1cc(CN2CCOCC2)nn1	1549162215	RORSPVOEXVLZTF-BFHYXJOUSA-N	325.369	-1.625	0	40	EAAB	
Cn1cc(CN2CC[C@@]3(C2)Cn2c(nn(C)c(=O)c2=O)CO3)cn1	306124200	BJAIZCZLTNIOIG-OAHLLOKOSA-N	332.364	-1.150	0	40	EAAB	
O=C1CC(=O)N([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)C(=O)N1	3870488	AODYJUNLDJOADV-MRNHWOGBSA-N	340.181	-2.989	0	40	EAAB	
CN(C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1)C(=O)CNC(=O)CN	572639266	YNOLZZRTUGHDQU-STQMWFEESA-N	340.403	-1.134	0	40	EAAB	
CN1CCN(CCO)C(=O)C12CCN(C(=O)C1CC(O)C1)CC2	1565554889	JIOYASWCWWIDGH-UHFFFAOYSA-N	325.409	-1.115	0	40	EAAB	
Nc1nc2c(ncn2[C@@H]2O[C@@H](CO)[C@H]3O[P@](=O)(O)O[C@@H]32)c(=O)[nH]1	4545950	UASRYODFRYWBRC-FULWYAMNSA-N	345.208	-1.524	0	40	EAAB	
COCCNC(=O)[C@@H]1CS[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)N12	257332180	XWCITLCXUHIGJL-YCEVYCCKSA-N	336.366	-3.524	0	40	EAAB	
CCCCC12CN3CC(C)(CN(C1)C3[C@H](O)[C@H](O)[C@H](O)CO)C2=O	19323396	LIIQHDIBQVFXHJ-UGDIUICRSA-N	342.436	-1.216	0	40	EAAB	biogenic
CNC(=O)[C@@H]1CN(C(=O)c2cnco2)CCN(S(C)(=O)=O)C1	257220202	DJZOFQMYFABGNZ-SECBINFHSA-N	330.366	-1.246	0	40	EAAB	
COC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C	4945673	UBQXUTJMEOVBBI-UHFFFAOYSA-N	337.336	-1.557	0	40	EAAB	
CNC(=O)[C@H]1CN(C(=O)c2cnccn2)CCN(S(C)(=O)=O)C1	607854038	SMXATOKNKOXWKZ-JTQLQIEISA-N	341.393	-1.444	0	40	EAAB	
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)c(C(C)=O)c(=O)n1C	5713007	YNVFTKSNADSCEO-CNABLZDZSA-N	345.377	-1.444	0	40	EAAB	
OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O	253615788	DLRVVLDZNNYCBX-PIQJMVDASA-N	342.297	-5.397	0	40	EAAB	in-vitro
CNC(=O)[C@H]1CN(C(=O)C2(N)CCCC2)CCN(S(C)(=O)=O)C1	585182330	MZVGECFDRLWXIF-NSHDSACASA-N	346.453	-1.276	0	40	EAAB	
O=C(COP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O	4523255	XPYBSIWDXQFNMH-PQLUHFTBSA-N	340.114	-3.143	0	40	EAAB	in-vivo
NC(=O)c1ccc[n+]([C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1	40762833	DAYLJWODMCOQEW-CDLYGTGVSA-O	335.229	-2.199	0	40	EAAB	
CO[C@H](O[C@@H](CO)[C@@H](O)S(=O)(=O)O)[C@H](O)S(=O)(=O)O	5052355	DLJVRBPNTDBJJO-UNTFVMJOSA-N	326.301	-3.251	0	40	EAAB	
O=C(N[C@@H](CO)C(=O)O)c1ccc(C(=O)N[C@H](CO)C(=O)O)cc1	5944694	NUOVFKCEGMHKTG-AOOOYVTPSA-N	340.288	-1.963	0	40	EAAB	
CS(=O)(=O)N1CCN(C(=O)[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)O)CC1	17068284	GUXQSXRUBRLQFO-ZDCRXTMVSA-N	332.378	-1.032	0	40	EAAB	
CN(C)S(=O)(=O)N1C[C@H]2O[C@H](C[C@H]2C(=O)N2CCOCC2)C1	107264364	STKFJFAFQQBVCI-IJLUTSLNSA-N	333.410	-1.259	0	40	EAAB	
CC(C)C(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(C(=O)CCO)C2)C1	514290104	SYLTUHJRYNFGRM-QWHCGFSZSA-N	325.409	-1.117	0	40	EAAB	biogenic,in-vitro
CC(C)C(=O)N1C[C@@H]2OCCS(=O)(=O)N(CC(=O)N(C)C)[C@@H]2C1	1534645817	ICFHCOILLVHWFU-NEPJUHHUSA-N	347.437	-1.028	0	40	EAAB	
CC1(C)O[C@@H]2O[C@H](C(=O)NCC(N)=O)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1	13426983	ZNMJIWKPLYNJEA-CUAHWVMCSA-N	330.337	-1.016	0	40	EAAB	biogenic
COCCN(CC(N)=O)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	58190979	SMLKLKBOIBWDBH-UHFFFAOYSA-N	334.354	-2.794	0	40	EAAB	
CSc1nc2c(ncn2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c(=O)[nH]1	5545843	YUYHWVWEDABSBD-DCPHZCSOSA-N	344.349	-2.186	0	40	EAAB	
C[C@H](C(=O)NC(N)=O)N1CCN(S(=O)(=O)N2CCCC2)CC1	32777707	BZRPEXODZWKZKK-SNVBAGLBSA-N	333.414	-1.472	0	40	EAAB	
COCCO[C@@H]1[C@H](O)[C@H](CO)O[C@H]1n1cnc2c(N)ncnc21	247880594	PUDXUJRJLRLJIU-OJPPFWEXSA-N	325.325	-1.309	0	40	EAAB	
CN(C)c1nc(Oc2ccc(=O)n(CC(N)=O)n2)nc(N(C)C)n1	27679478	KDCPAOXDJZPOMK-UHFFFAOYSA-N	334.340	-1.162	0	40	EAAB	
CCN(C(=O)CNC[C@H]1CN(C)CCO1)[C@H]1CCS(=O)(=O)C1	69565003	YECOIEKSZIEREN-STQMWFEESA-N	333.454	-1.058	0	40	EAAB	
O=C1NCCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCNC2=O)CC1	2452909	BJHQZIOEAMVFJU-VXGBXAGGSA-N	336.392	-1.290	0	40	EAAB	
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	13543637	GUBGYTABKSRVRQ-PIRXJBDWSA-N	342.297	-5.397	0	40	EAAB	biogenic
COCC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCC[C@@H]1COC	20465263	NBGYMUARIPKNAO-RKEKIRQTSA-N	332.397	-1.651	0	40	EAAB	biogenic,in-vitro
COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	248130791	JYFOSWJYZIVJPO-GHMOJZLGSA-N	330.289	-1.428	0	40	EAAB	biogenic,in-vitro
O=C(CN1CCN(CCO)CC1)N1CC[C@](O)(CN2CCCC2)C1	257339930	ZDUCCXFTUIZBQV-KRWDZBQOSA-N	340.468	-1.345	0	40	EAAB	
CSc1nc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)c(C(C)=O)c(=O)n1C	5713006	YNVFTKSNADSCEO-AAQQEJRNSA-N	345.377	-1.444	0	40	EAAB	
COc1ccc(CN(CC(=O)NC(N)=O)CC(=O)NC(N)=O)cc1	32831211	RWYRZPYTKDYBFP-UHFFFAOYSA-N	337.336	-1.113	0	40	EAAB	
OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O	1857776328	HDTRYLNUVZCQOY-QMZVFIAOSA-N	342.297	-5.397	0	40	EAAB	
CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1Oc1ccccc1C(=O)O	5197045	CPWDQTVVDKAHLL-PFFFPCNUSA-N	341.316	-1.293	0	40	EAAB	
OCC1=C[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	238759900	RJWJHRPNHPHBRN-YCPVJKJISA-N	346.332	-2.802	0	40	EAAB	
CC1(C)O[C@H]2[C@H](O1)[C@H](CS(C)(=O)=O)O[C@@H]2n1ncc(O)nc1=O	253501161	WJOLFGCXPCLESC-NORCUCSASA-N	347.349	-1.194	0	40	EAAB	
CCc1nccn1CC(=O)N1CCN([C@@H]2COC[C@@H](O)[C@H]2O)CC1	643586313	YJLSXERUUXWPIH-IOASZLSFSA-N	338.408	-1.290	0	40	EAAB	
O=C(CN1CCO[C@H](Cn2cncn2)C1)N[C@@H]1CCCCNC1=O	72253381	BHHXHUFPNUZXRU-QWHCGFSZSA-N	336.396	-1.236	0	40	EAAB