smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc2c1O	40835931	SQYJGJIGIBPVLM-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	
Cc1ccn2c3c(c(C(=O)O)c2c1)C(=O)c1ncccc1C3=O	1857651175	HQTFUBGMKDUOMC-UHFFFAOYSA-N	306.277	2.116	10	1	DECF	
C[C@@H](CCCCCC(=O)O)NC[C@@H](O)c1ccc(O)c(O)c1	27557827	XECSIJTYTZDVGO-XHDPSFHLSA-N	311.378	2.144	10	1	DECF	
O=C1OC(c2ccc(O)c(O)c2)=C/C1=C/c1ccc(O)c(O)c1	72112717	TZBZGNPXKXHFKI-WZUFQYTHSA-N	312.277	2.490	10	1	DECF	in-vitro
CC1=CCC[C@@](C)(CC(=O)c2cc(O)c(O)cc2O)OC1=O	14618549	QNBHDATYDIMBOB-INIZCTEOSA-N	306.314	2.418	10	1	DECF	biogenic
CC(=O)c1c2c(n3cccc(F)c13)C(=O)c1cccnc1C2=O	40379304	GCRIUZBTQYCNHM-UHFFFAOYSA-N	308.268	2.451	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2CCO[C@@H]2O1	14828628	UBZLJWZWSDCTKZ-DCXZOGHSSA-N	324.288	2.096	10	1	DECF	biogenic
O=C1OC[C@@H](Cc2ccc(O)c(O)c2)[C@@H]1Cc1cccc(O)c1	2356330597	MJMVFOFWTGVQBW-HIFRSBDPSA-N	314.337	2.378	10	1	DECF	
COCCCCOc1ccc(/C=C2\C(=O)NC(=O)N=C2O)cc1	45318482	QQIFCGZXTCXKNK-UHFFFAOYSA-N	318.329	2.082	10	1	DECF	
COc1cccc2c1C(=O)c1c(ccc(C[C@H]3CO3)c1O)C2=O	13454760	BIDNXOUISFSLGP-JTQLQIEISA-N	310.305	2.118	10	1	DECF	
CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CO[C@H](C)CN2C1=O	103183050	JNKNQKNJFOCEND-MLGOLLRUSA-N	316.401	2.165	10	1	DECF	
O=C1c2[nH]cc3c2C(=[N+]([O-])CC3)c2c(-c3ccc(O)cc3)c[nH]c21	238740629	NFGSRBLYAWMEES-UHFFFAOYSA-N	319.320	2.164	10	1	DECF	
Oc1ccc2c(c1O)O[C@H]1c3ccc4c(c3OC[C@@H]21)OCO4	2356409190	BHEWGLSSFZGDOE-ZANVPECISA-N	300.266	2.436	10	1	DECF	
COc1c(O)c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	14644837	CDCVPVHYGWRUCI-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1ccc2c(c1)O[C@@H]1c3cc(O)c(O)cc3CO[C@H]1[C@@H]2O	59727836	ITTMSOHPADBFBP-ZACQAIPSSA-N	316.309	2.172	10	1	DECF	
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(OC)cc1	40880433	WGKLCHBGQMKIIW-MSOLQXFVSA-N	300.402	2.453	10	1	DECF	
COc1ccc(N(C)Cc2cnc3nc(N)nc(N)c3c2C)cc1	3814975	OGVIBBZMKHYOMI-UHFFFAOYSA-N	324.388	2.143	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c(O)cc(CN3CCCC3)cc21	6093798	FVAHTIRWHXVIPZ-UHFFFAOYSA-N	323.348	2.469	10	1	DECF	
O=C1CN2Cc3c(Cl)cc(N4CCCCC4)cc3N=C2N1	29206737	MEENORHVWXVWNL-UHFFFAOYSA-N	304.781	2.263	10	1	DECF	
COc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1O	14644835	QEPIIJKRRCODFT-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
O=C(O)[C@H]1Nc2c(cccc2N2CCOCC2)[C@H]2C=CC[C@@H]12	62241733	BUBNBCQHMMYXBQ-KFNAQCHYSA-N	300.358	2.062	10	1	DECF	
O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\[C@H]3CCS(=O)(=O)C3)c2c1	13120554	MMROEZHDSWTHAH-YLKVRRTASA-N	324.318	2.053	10	1	DECF	
COc1ccc2oc3cc(O)c(O)c(O)c3c(=O)c2c1OC	14648918	IGTOCWFRBRUVNC-UHFFFAOYSA-N	304.254	2.080	10	1	DECF	biogenic
C[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	34140462	NLCHNUHNZBPKDF-QQJQTLPOSA-N	304.298	2.107	10	1	DECF	in-man
COc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)c(O)c3)oc12	14645263	FPSMUVCMXQTXND-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
Cc1ccc(C)n1-c1ccc(-c2nnn(C(=O)N(C)C)n2)cc1	96258088	IOHQEWJUXVBZPO-UHFFFAOYSA-N	310.361	2.277	10	1	DECF	
CCOC(=O)[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)[C@@H](C)CC	1857572749	HVPJIFMATYEQCZ-WJLVXLOQSA-N	321.373	2.205	10	1	DECF	
Oc1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)cc1O	1250465078	WWADDXKQGCOTIK-UHFFFAOYSA-N	311.341	2.478	10	1	DECF	
O=C1OC[C@@H](Cc2cccc(O)c2O)[C@@H]1Cc1cccc(O)c1	2356310807	NHWWOCIDXQDDJV-HIFRSBDPSA-N	314.337	2.378	10	1	DECF	
CN(CCO)c1ccc(-c2nc3cc(CCO)ccc3[nH]2)cc1	587192853	GUXVKIPODDFIPX-UHFFFAOYSA-N	311.385	2.193	10	1	DECF	
CN(CCO)c1ccc(-c2nc3nc(Cl)ncc3[nH]2)cc1	587193353	ZIQNFDOXLUSGGZ-UHFFFAOYSA-N	303.753	2.102	10	1	DECF	
COc1cc(O)c2c(c1)OC[C@@H](c1ccc(O)c(O)c1)C2=O	2356728241	DCARJVFHBKAVDR-JTQLQIEISA-N	302.282	2.171	10	1	DECF	
COc1cccc(O)c1[C@@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21	962899211	QPGYGRCQJPNAND-BLLLJJGKSA-N	317.316	2.228	10	1	DECF	
O=C1c2ccc(O)cc2O[C@@H]2c3cc(O)c(O)cc3CO[C@H]12	14638440	ZKTRTVSORJMRTK-HZPDHXFCSA-N	300.266	2.019	10	1	DECF	biogenic,in-vitro
CC(=O)N[C@@H](C(=O)NCc1ccccc1)c1cc(C)ccc1O	28008335	RUDXMQKDHMEKNC-QGZVFWFLSA-N	312.369	2.194	10	1	DECF	
Nc1ccc(C2(O)C(=O)c3ccccc3C2=O)c2ncccc12	98084408	DNSPJJHBABBQHO-UHFFFAOYSA-N	304.305	2.084	10	1	DECF	
COc1c[c-](C/N=N/c2ccc([N+](=O)[O-])cn2)cc(OC)c1=O	169690811	DPZQVYMKCJHJHJ-WUKNDPDISA-N	317.281	2.370	10	1	DECF	
COC1=C(O)[C@H](O)C=C2O[C@@H](c3ccc(O)c(O)c3)C=C[C@H]21	2356854260	RNECSZXMEHHZMV-OASPWFOLSA-N	304.298	2.016	10	1	DECF	
COc1ccc(C2=NN[C@@]3(S2)C(=O)Nc2ccccc23)cc1	28824726	ZKPRQYGVPYDRPR-INIZCTEOSA-N	311.366	2.498	10	1	DECF	
Cc1ccccc1-c1nnc(CN2C(=O)CSC2=S)o1	103265651	QEOPQVQPKACXGK-UHFFFAOYSA-N	305.384	2.405	10	1	DECF	
N=C(NO)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1	45336039	WFEDBRCBFUWORO-AWEZNQCLSA-N	312.329	2.162	10	1	DECF	
COc1c(-c2ccc(O)cc2)oc2c(O)c(O)cc(O)c2c1=O	14645186	GEZRDCGMQPFDMN-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O	384288	KEMMCAFUPKPXPJ-UHFFFAOYSA-N	303.321	2.410	10	3	DECF	
COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3CN1CC2	6017795	NZFYGBOUVBINBH-AWEZNQCLSA-N	313.353	2.468	10	1	DECF	biogenic,in-vitro
Cc1ccc(CNS(=O)(=O)/C=C/c2ccc(O)c(O)c2)cc1	96917388	BVKYTSLAWRDWJO-CMDGGOBGSA-N	319.382	2.497	10	1	DECF	
COc1c(O)cc2c(c1OC)C(=O)c1ccc(C)c(O)c1C2=O	14760773	DSTAVZIYZCVUGN-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	biogenic
COc1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](OC)C2=O	14728155	OGSJOKOYASYPQN-IAGOWNOFSA-N	316.309	2.438	10	1	DECF	biogenic
O=C(/C=C/c1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1	13340507	CCHKZGVRIOKSEE-ZZXKWVIFSA-N	316.309	2.308	10	1	DECF	
COc1ccc2c(c1O)CN1CCc3cc(O)c(O)cc3[C@@H]1C2	225013864	WDZUKYLSGVBAHN-AWEZNQCLSA-N	313.353	2.468	10	1	DECF	
COc1ccc(OC)c2c1C(=O)[C@H]1C[C@@]1(Br)C2=O	1617913	JBWKGXGTUYAQNA-UANNBLPKSA-N	311.131	2.236	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@@H]1C=C(C)O[C@H](OC)[C@H]1C2=O	195421519	LTEMXFQHSPJXMG-VMDBXTETSA-N	318.325	2.222	10	1	DECF	
CC(=O)c1c2c(n3cccc(F)c13)C(=O)c1ncccc1C2=O	40864638	KIUCGFQWJIXYOO-UHFFFAOYSA-N	308.268	2.451	10	1	DECF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(O)cc3[nH]2)c1	586948063	KIZHUROQUNXANE-UHFFFAOYSA-N	319.342	2.013	10	1	DECF	
CCCCOC(=O)c1cc(=O)c(O)c2c(O)c(O)c(F)cc2c1	1857565571	JIUZLGCCLYIFHG-UHFFFAOYSA-N	322.288	2.413	10	1	DECF	
N=c1oc2c(O)c(O)ccc2cc1C(=O)Nc1ccc(O)cc1	26492416	DGNVGNFSASREEE-UHFFFAOYSA-N	312.281	2.281	10	1	DECF	
COc1cc2c(c(O)c1O)C(=O)[C@@H](c1ccc(O)cc1)CO2	205293030	UKMJOIGCIGJENF-SNVBAGLBSA-N	302.282	2.171	10	1	DECF	
COc1cc(CC(=O)c2ccc(OC)c(O)c2O)ccc1O	64559177	KARNXWYMBGPHAU-UHFFFAOYSA-N	304.298	2.246	10	1	DECF	
C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(N(C)C)cc1	96929066	RUOFFEDFEBCPQA-UVMWJGKXSA-N	316.361	2.409	10	1	DECF	
O=[N+]([O-])c1ccc2[nH]c(O)c(N=N[C@@H]3CCS(=O)(=O)C3)c2c1	254010600	MMROEZHDSWTHAH-SSDOTTSWSA-N	324.318	2.053	10	1	DECF	
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N=[N+]=[N-])[C@H]1NC(C)=O	73278492	NKJJEHLVGXTLCT-YNEHKIRRSA-N	310.354	2.159	10	1	DECF	
COc1c(-c2ccc(O)cc2)oc2cc(O)c(O)c(O)c2c1=O	14644898	DAEBTLQZOWXOBW-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1cc2c(c3c1OCO3)C(=O)c1c(ccc(C)c1O)C2=O	14760792	UYIXEAPBVDHJRW-UHFFFAOYSA-N	312.277	2.213	10	1	DECF	biogenic
COc1cc(OC)c2c(c1)C(=O)c1c(O)cc(C)c(O)c1C2=O	196581136	ALFXRKPBCOIWEG-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCNCC1	1857650450	GVCPAWHFHUVLRD-LLVKDONJSA-N	310.353	2.021	10	1	DECF	
O=C(O)c1cc(O)c(O)cc1-c1cc2c(O)cccc2oc1=O	169309743	UABVCEIBDLWQIT-UHFFFAOYSA-N	314.249	2.275	10	1	DECF	
CO[C@@H]1CC=C2CCCN3C(=O)c4cc(O)c(O)cc4C[C@@]23C1	13405226	WXHIBTLDYRFPKW-FZKQIMNGSA-N	315.369	2.364	10	1	DECF	biogenic
O=[N+]([O-])c1cc(CN2CCSCC2)c(O)c2ncccc12	96916541	OROKSGKKMUUACX-UHFFFAOYSA-N	305.359	2.397	10	1	DECF	
CN1CCN(C2=NC(=O)/C(=C/c3ccc(F)cc3)S2)CC1	19848768	MYNWZQRHOXAUFM-RAXLEYEMSA-N	305.378	2.043	10	1	DECF	
COc1ccc(N2CCN(Cc3cnc4ccncn34)CC2)cc1	43071031	CLJVVRVQKCBMQY-UHFFFAOYSA-N	323.400	2.060	10	1	DECF	
O=S(=O)(/C=C/c1ccc(O)c(O)c1)CCCCCCCO	1857533943	NAXNLFLZKRDTCC-DHZHZOJOSA-N	314.403	2.426	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@@H]1C=C(C)O[C@H](OC)[C@@H]1C2=O	169344141	LTEMXFQHSPJXMG-SEHCQNQUSA-N	318.325	2.222	10	1	DECF	
CN1C(=O)c2ccc(OC(=O)CCc3ccc(N)cc3)cc2C1=O	53295283	FCPZWAQOMCDXRA-UHFFFAOYSA-N	324.336	2.033	10	1	DECF	
C[C@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc1ccc(O)c(O)c1	14720477	DEJPAJWPCTUPPL-YPMHNXCESA-N	320.341	2.224	10	1	DECF	biogenic
O=c1oc(Oc2ccc(F)cc2F)nn1-c1ccc(O)c(O)c1	43206282	PTJXEVOEBPGYRR-UHFFFAOYSA-N	322.223	2.307	10	1	DECF	
COc1c(O)cc2occ(-c3ccc(O)c(O)c3)c(=O)c2c1O	14645991	VYCWOMOGAIPFPW-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
CC(=O)N(C1CCCCC1)[C@H]1C(=O)C(=O)c2ccccc2C1=O	265985	NYKCPAODYWPTIW-OAHLLOKOSA-N	313.353	2.185	10	1	DECF	
O=C(CNC(=O)c1ccccn1)/N=N/c1c(O)[nH]c2ccccc12	101782625	LFXNGJDQGCTVMI-QZQOTICOSA-N	323.312	2.309	10	1	DECF	
O=C1NN=C(c2ccccc2)/C1=C/Nc1cc(-c2ccco2)[nH]n1	72179555	PIVAAXLOKAZZMT-BENRWUELSA-N	319.324	2.500	10	1	DECF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)cc1O)O2	587404168	OMJXPBTXNJMGNT-OAHLLOKOSA-N	301.298	2.401	10	1	DECF	
N=c1oc2c(O)c(O)ccc2cc1C(=O)Nc1ccccc1O	26496957	IAIZVEJXAPIHSB-UHFFFAOYSA-N	312.281	2.281	10	1	DECF	
COc1ccc2c(c1)[C@@](C=[N+]=[N-])(c1cnccn1)N(C(C)C)CC2	962093185	SLTYLMWQQNXVGC-SFHVURJKSA-N	323.400	2.296	10	1	DECF	
CCOC(=O)c1cc(O)c2c(c1)C(=O)c1c(O)cccc1C2=O	199900905	NAPMVPUVSANYCE-UHFFFAOYSA-N	312.277	2.050	10	1	DECF	
COc1c(C)c(O)c2c(c1OC)C(=O)c1c(O)cccc1C2=O	2356626385	WDACTVCJHNVGNV-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
CN1CCN(C(=O)c2cccc3c(N)c4ccccc4nc23)CC1	29248333	PFPKIARQKRUGFR-UHFFFAOYSA-N	320.396	2.358	10	1	DECF	
N[C@@H]1Cc2c3n(c4cc(O)c(O)cc24)C(=O)C[C@H]2CCC[C@@H]1[C@@H]32	27894461	TXXRECMGVIKRAT-CGLCWLIESA-N	312.369	2.480	10	1	DECF	
COc1cc(O)cc2c1C(=O)[C@@H](Cc1ccc(O)c(O)c1)CO2	13481886	MEVZQUMOUGNZRF-JTQLQIEISA-N	316.309	2.246	10	1	DECF	endogenous,in-man
COc1cc2c(cc1O)[C@@H]1Cc3ccc(O)c(O)c3CN1CC2	2356692802	LMCDPTITCNKVNR-AWEZNQCLSA-N	313.353	2.468	10	1	DECF	
COc1ccc(N2NC(=O)/C(=C\c3cccc(OC)c3)C2=O)cc1	40972727	SRLNVDNGUHDFAR-LFIBNONCSA-N	324.336	2.165	10	1	DECF	
CN(C)c1ccc(/C=C2\N=C(NNc3ccccc3)NC2=O)cc1	1863387	SYOPARNWMBYTOQ-VBKFSLOCSA-N	321.384	2.196	10	1	DECF	
O=C1OC[C@@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1O	2356767259	XZCLFXNAFVVPJG-HIFRSBDPSA-N	314.337	2.378	10	1	DECF	
CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@@H](C)CN2C1=O	103183049	JNKNQKNJFOCEND-LRDDRELGSA-N	316.401	2.165	10	1	DECF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(O)c(O)c(O)c1)O2	587402809	CNLZODVVJGAKJR-CQSZACIVSA-N	301.298	2.401	10	1	DECF	
Cc1sc2nc(-c3cc(O)c(O)cc3O)[nH]c(=O)c2c1C	96907917	ODJIIGRSMZYNLT-UHFFFAOYSA-N	304.327	2.385	10	1	DECF	
COc1cc([C@H]2CC(c3ccc(O)cc3O)=NN2)ccc1O	95586499	HEIULSZHDWHAMC-GFCCVEGCSA-N	300.314	2.251	10	1	DECF	
Cc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccccc3)=N2)cc1	6868710	SYNQFOKNCVZYGQ-HNNXBMFYSA-N	307.353	2.342	10	1	DECF	
CNC1=NC(=O)/C(=C/c2cnn(-c3ccc(F)cc3F)c2)S1	73129467	HFJHGOGKAAZGLN-QCDXTXTGSA-N	320.324	2.340	10	1	DECF	
NC[C@@H]1O[C@H](COCc2ccccc2)Cc2c1ccc(O)c2O	13823813	JAZQRIDSKRIHDH-GUYCJALGSA-N	315.369	2.256	10	1	DECF	
O=c1cc(-c2ccc3[nH]c(O)nc3c2)oc2c(O)c(O)ccc12	13586395	PSKLHWFPZCSSBB-UHFFFAOYSA-N	310.265	2.453	10	1	DECF	
CC1(C)OC(=O)C(=CNc2ccc3ncsc3c2)C(=O)O1	48931303	OABMSURPTPRPEL-UHFFFAOYSA-N	304.327	2.428	10	1	DECF	
COc1ccc2c(c1O)O[C@H]1c3ccc(O)c(O)c3OC[C@H]21	2356407393	WPDUKDYMZYNKAB-OTYXRUKQSA-N	302.282	2.422	10	1	DECF	
CC1=NN(C(=O)CN2CCSCC2)[C@@H](c2ccccc2O)C1	653729239	NSVLNTMMSLPHIB-CQSZACIVSA-N	319.430	2.090	10	1	DECF	
CN1C(=O)NC(=O)/C(=C\Nc2ccc(-c3ccccc3)cc2)C1=O	1772657242	FDUMDERTAXNRDP-RVDMUPIBSA-N	321.336	2.358	10	1	DECF	
COc1ccc(OC)c2c1C(=O)[C@H]1C[C@]1(Br)C2=O	1617914	JBWKGXGTUYAQNA-CAAJLBCPSA-N	311.131	2.236	10	1	DECF	
CCCCNC(=O)Nc1c(=O)[nH]c(C)c2cc(O)c(O)cc12	28095219	GNHKRURIKISWNX-UHFFFAOYSA-N	305.334	2.169	10	1	DECF	
COc1cc(C2=NN(C(=N)N)[C@@H](c3ccccc3)C2)ccc1O	653740499	XOQCOKONYBENGO-CQSZACIVSA-N	310.357	2.445	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CCO[C@H]2O1	14828623	UBZLJWZWSDCTKZ-CVJBHZAOSA-N	324.288	2.096	10	1	DECF	biogenic
O=C1c2ccccc2C(=O)c2c1nnn2-c1ccc(Cl)nc1	1911580638	VCOKEGJCZJHISM-UHFFFAOYSA-N	310.700	2.091	10	1	DECF	
Cc1cc2c(cc1C)C(=O)[C@@H](O)[C@@H](c1cccc(O)c1O)O2	1772614359	UGWUDJMEXBMACX-IAGOWNOFSA-N	300.310	2.392	10	1	DECF	
COC(=O)[C@]12O[C@@]1(CC=C(C)C)C(=O)c1ccccc1C2=O	15194594	KFXPBEAXNBSFIQ-IRXDYDNUSA-N	300.310	2.103	10	1	DECF	biogenic,in-vitro
Cc1[nH]n(C(N)=S)c(=O)c1/N=N/c1cccc([N+](=O)[O-])c1C	169325946	ODPFDBFFPIWFIX-CCEZHUSRSA-N	320.334	2.209	10	1	DECF	
CC(C)OC(=O)c1cc(=O)c(O)c2c(O)c(O)c(F)cc2c1	1857569754	SRLJPPCSRBEALM-UHFFFAOYSA-N	308.261	2.021	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@@H]1C=C(C)O[C@@H](OC)[C@@H]1C2=O	49808126	LTEMXFQHSPJXMG-OVWKYPIYSA-N	318.325	2.222	10	1	DECF	
COc1ccc(-c2oc3c(O)c(O)ccc3c(=O)c2O)cc1O	112978719	XQQSUZHRWFDWJJ-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	
COc1ccc2c(c1O)O[C@@H]1c3ccc(O)c(O)c3OC[C@H]21	238782562	WPDUKDYMZYNKAB-YMTOWFKASA-N	302.282	2.422	10	1	DECF	
O=c1cc(-c2ccc([N+](=O)[O-])cc2)oc2cc(O)c(O)c(O)c12	73197582	OOQHFLXCURRCNW-UHFFFAOYSA-N	315.237	2.485	10	1	DECF	
COCC1=C(OC)[C@@H]2C(=O)c3ccccc3C(=O)[C@@H]2C=C1O	2356713927	WUMJGALCHPNHQD-RISCZKNCSA-N	300.310	2.300	10	1	DECF	
OCCNCc1cc2c(cc1O)OC=C(c1ccc(O)cc1)C2	473154276	GBPHUFXFHUTMIY-UHFFFAOYSA-N	313.353	2.156	10	1	DECF	
Cc1cc2c(cc1C)C(=O)[C@H](O)[C@@H](c1cccc(O)c1O)O2	1772614358	UGWUDJMEXBMACX-DLBZAZTESA-N	300.310	2.392	10	1	DECF	
CN(C)c1ccc(/C=C/c2ncc([N+](=O)[O-])n2CCO)cc1	103255989	XVCURTCSSYEJRB-VMPITWQZSA-N	302.334	2.020	10	1	DECF	
O=C(O)c1cc(O)c(O)cc1-c1c(C(=O)O)cccc1[N+](=O)[O-]	26498112	NBTNBSMKNQTBFG-UHFFFAOYSA-N	319.225	2.069	10	1	DECF	
COc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1O	6484595	AIRNGFONAMWZBC-FOCLMDBBSA-N	307.331	2.464	10	1	DECF	
O=c1c2c(oc3cc(O)cc(O)c13)-c1ccc(O)c(O)c1CO2	14618306	XUFSGVREMRKLBR-UHFFFAOYSA-N	314.249	2.175	10	1	DECF	biogenic,in-vitro
O=C(O)[C@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@H]12	102992498	WGUAPOVFDKLQGB-VGIXGZPDSA-N	310.693	2.492	10	1	DECF	
Oc1ccc([C@H]2Oc3cc(O)c(Cl)c(O)c3C[C@@H]2O)cc1O	14642756	BHTBHJNGFQRAJI-XHDPSFHLSA-N	324.716	2.200	10	1	DECF	endogenous,in-man
O=C(O)[C@@H]1Nc2c(cccc2N2CCOCC2)[C@@H]2C=CC[C@H]12	169299785	BUBNBCQHMMYXBQ-DETPVDSQSA-N	300.358	2.062	10	1	DECF	
O=C(O)c1ccc(Br)c([C@@H]2NCCS2)c1O	146851748	HYLCMVHTEPFTQQ-SECBINFHSA-N	304.165	2.188	10	1	DECF	
NC/C(=C\c1ccc(O)c(O)c1)C(=O)NC/C=C/c1ccccc1	103245086	BUAWQIWFXKEHPS-UYHGDYIZSA-N	324.380	2.270	10	1	DECF	
CCOC(=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	13481222	QAOZGAHPBXKQQI-UHFFFAOYSA-N	312.277	2.050	10	1	DECF	biogenic
N=c1oc2c(O)c(O)ccc2cc1C(=O)Nc1cccc(O)c1	3834101	YYFYFDIKBMWNJK-UHFFFAOYSA-N	312.281	2.281	10	1	DECF	
O=C1c2cc(-c3nn[nH]n3)sc2C(=O)c2c(Cl)cccc21	653791314	JKLGHCQUJKOQTB-UHFFFAOYSA-N	316.729	2.357	10	1	DECF	
CC1CCN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])CC1	13677675	KECUETVLTOGOCM-UHFFFAOYSA-N	308.334	2.311	10	1	DECF	
Oc1cc2c(cc1O)[C@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4	14763356	QNMYAYDPWHAXCP-XXFAHNHDSA-N	300.266	2.436	10	1	DECF	biogenic
CCOC(=O)c1c2c(n3ccccc13)C(=O)c1cccnc1C2=O	35063540	VEWSNJOFIXAIAH-UHFFFAOYSA-N	320.304	2.286	10	1	DECF	
Cc1n(Cc2ccccc2)c2c([n+]1C)C(=O)c1ccccc1C2=O	17353737	HKGDZBYJSUYOQS-UHFFFAOYSA-N	317.368	2.445	10	1	DECF	
COc1cc2c(cc1O)[C@H]1COc3c(ccc(O)c3O)[C@H]1O2	40918185	IZQVNIRLVRNEHA-RFAUZJTJSA-N	302.282	2.422	10	1	DECF	
Cc1ccc(O)c([C@@H]2C(=O)NC(=O)N2c2ccc3[nH]cnc3c2)c1	113894587	NTNRIUAFBHODRG-OAHLLOKOSA-N	322.324	2.374	10	1	DECF	
O=C1C[C@H]2c3cc(O)c(O)cc3[C@H](c3ccc(O)c(O)c3)[C@H]2O1	1857770136	NZKVZAOTASFTDL-POJUEXTFSA-N	314.293	2.054	10	1	DECF	
O=C1Nc2ncccc2/C1=C/c1ccc(N2CCOCC2)cc1	299836294	NDSPZHRDBTZJBB-VBKFSLOCSA-N	307.353	2.411	10	1	DECF	
COc1ccc2c(c1)CN(C)C(=O)CCN2C[C@H](O)C(C)(C)C	299852349	QTKGSROFAFIJKB-INIZCTEOSA-N	320.433	2.271	10	1	DECF	
O=C1c2ccccc2C(=O)c2c1nnn2Cc1ccc(F)cc1	714079	NGTDOQADPQHNDO-UHFFFAOYSA-N	307.284	2.241	10	1	DECF	
O=C(C=Cc1ccc(O)c(O)c1)Nc1cc(O)ccc1C(=O)O	2356771063	OSILFOKGSJBVLY-UHFFFAOYSA-N	315.281	2.154	10	1	DECF	
CN1CCN(C2=NC(=O)/C(=C/c3ccc(F)c(F)c3)S2)CC1	96174733	XUSSJXIJSMKFAR-LCYFTJDESA-N	323.368	2.183	10	1	DECF	
Cc1cc2c(cc1C)C(=O)[C@H](O)[C@H](c1cccc(O)c1O)O2	1772614360	UGWUDJMEXBMACX-IRXDYDNUSA-N	300.310	2.392	10	1	DECF	
O=c1c(F)c(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc12	13586386	YINCNTBPLYVMFY-UHFFFAOYSA-N	304.229	2.422	10	1	DECF	
O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N\[C@@H]3CCS(=O)(=O)C3)c2c1	13120553	MMROEZHDSWTHAH-DZARACRASA-N	324.318	2.053	10	1	DECF	
COc1cc(-c2oc3c(O)c(O)ccc3c(=O)c2O)ccc1O	14644616	LATGNVTUYQHKQK-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
C=c1cc(C)c(=C)c2c(c1)c(=C)c1c(C)n(CC(=O)O)c(C)cc12	2356834041	KLPYJRDMVLHKFG-UHFFFAOYSA-N	319.404	2.316	10	1	DECF	
C[C@@H](Cc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1	26991053	PXJVLAOYQYPBNI-NSHDSACASA-N	303.358	2.272	10	1	DECF	
COc1ccc2c(c1)[C@](C=[N+]=[N-])(c1cnccn1)N(C(C)C)CC2	962093176	SLTYLMWQQNXVGC-GOSISDBHSA-N	323.400	2.296	10	1	DECF	
COc1cc(C[C@H](N)c2ccc(O)c(O)c2)cc(OC)c1OC	169329187	NTYUWKSKVQIIGW-LBPRGKRZSA-N	319.357	2.366	10	1	DECF	
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@H]2CO	6072093	OUFIJYAHFBAFBX-QWHCGFSZSA-N	312.321	2.017	10	1	DECF	biogenic,in-vitro
Cc1ccc(-c2csc3nc(N4NC(=O)CC4=O)cn23)cc1	103259611	CUBPRUYTGIEQFN-UHFFFAOYSA-N	312.354	2.139	10	1	DECF	
COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2	14642979	PCXUCZXALRCETF-RHSMWYFYSA-N	318.325	2.152	10	1	DECF	biogenic
NC[C@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(O)c(O)c1	653699471	VWNKWTPRMLMOGX-HNNXBMFYSA-N	323.352	2.327	10	1	DECF	
CO[C@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	14728138	OUULKVZKMGWNNK-CVEARBPZSA-N	302.282	2.135	10	1	DECF	biogenic
COc1ccc2c(c1O)CN1CCc3cc(O)c(O)cc3[C@H]1C2	225013898	WDZUKYLSGVBAHN-CQSZACIVSA-N	313.353	2.468	10	1	DECF	
COc1cc(O)c2c(c1)C(=O)c1cc(O)c(OC)c(C)c1C2=O	2356719766	HUJAVTBSGOADPG-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
C[C@@H]1CCC(=O)OC[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356793730	HNHPTZHAIBEYPE-YPMHNXCESA-N	320.341	2.386	10	1	DECF	
O=C1c2ccc(O)cc2O[C@@H]2c3ccc(O)c(O)c3CO[C@@H]12	14610045	JZKMGBIDNPULDV-CVEARBPZSA-N	300.266	2.019	10	1	DECF	biogenic
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cccc(F)c1F	43068570	XONHUDSWPIVNPO-UHFFFAOYSA-N	305.236	2.172	10	1	DECF	
O[C]1C=C(O)C=C2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C12	2356332240	BICQNTHTPOXVIU-UHFFFAOYSA-N	303.246	2.230	10	1	DECF	
C[N+](C)(C)Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O	95587583	FEXFJUAVGJIUNQ-UHFFFAOYSA-O	312.345	2.079	10	1	DECF	
COc1cccc(C/N=N/c2ncnc(N)c2[N+](=O)[O-])c1OC	169688841	YASHFDUUIWBLJA-ISLYRVAYSA-N	318.293	2.268	10	1	DECF	
O=C1N=C(O)/C(=C\c2ccc(-c3ccc(F)cc3O)o2)C(=O)N1	15924675	DHYWKROGVBRSQF-UHFFFAOYSA-N	316.244	2.381	10	3	DECF	
O=C1c2ccccc2C(=O)c2c1nnn2-c1ccnc(Cl)c1	1911575779	BMUXYBBFFBYEDU-UHFFFAOYSA-N	310.700	2.091	10	1	DECF	
O=C(O)[C@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@@H]2C=CC[C@H]12	169298482	SLERUHSLMRNVML-RBOXIYTFSA-N	312.369	2.461	10	1	DECF	
C[C@]1(c2cc(C(=O)O)ccc2O)NCCc2nc3ccccn3c21	962992128	XZYQNGXQCCDTTM-GOSISDBHSA-N	323.352	2.147	10	1	DECF	
NC[C@@H]1O[C@H](COc2ccccc2)Cc2c1ccc(O)c2O	13823811	KOHDNXKBNHHXKQ-LRDDRELGSA-N	301.342	2.118	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@@H]1C=C(C)O[C@@H](OC)[C@H]1C2=O	102070529	LTEMXFQHSPJXMG-LGFNAOKASA-N	318.325	2.222	10	1	DECF	
COc1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)ccc1O	13524753	GOIJDLAWUUTOIP-ZDUSSCGKSA-N	301.342	2.242	10	1	DECF	
CC(=O)C(=O)[C@]1(C)CC[C@@H]2CC(=O)CC[C@@]2(C)[C@@H]1CC(=O)O	2356479382	NOONIMVJSKMYOV-VGOVLVCLSA-N	308.374	2.411	10	1	DECF	
Oc1ccc2c(c1O)OC[C@@H]1c3cc4c(cc3O[C@@H]21)OCO4	14763404	GGIPOZCJJKKBBV-PSLIRLAXSA-N	300.266	2.436	10	1	DECF	biogenic
COc1cc(/C=C\c2nc3cc(N)c(N)cc3[nH]2)cc(O)c1O	587786027	RRIYITZFZKFYCF-IHWYPQMZSA-N	312.329	2.318	10	1	DECF	
CC1=C2C(=O)NN=C2CCN1c1ccc(Br)cc1	5582469	CTRXHSDVFVFXGZ-UHFFFAOYSA-N	306.163	2.419	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C=CO[C@H]2O1	6093804	QLPXJOSOFOPAMO-ASCAZGACSA-N	322.272	2.219	10	1	DECF	biogenic
CCOC(=O)c1cc2c(s1)C(=O)c1c(O)cccc1C2=O	299833232	MXEVHDLHEJOJPP-UHFFFAOYSA-N	302.307	2.406	10	1	DECF	
COc1c(-c2ccccc2)oc2c(O)c(O)c(O)c(O)c2c1=O	14645332	PUAVZLQKDBTYAS-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1cc(C(=O)C(=O)c2ccccn2)cc(OC)c1OC	29047383	XZKXAVXUHPUPNG-UHFFFAOYSA-N	301.298	2.173	10	1	DECF	
COc1c(O)c(O)c2occ(-c3ccc(O)cc3)c(=O)c2c1O	2356417666	IEYFRLHURXGMJO-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	
C[C@@H](O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586893394	VXSSLDLUGGPHNF-SECBINFHSA-N	306.321	2.262	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)cc1F	42920070	VTZMBPXNIGEOGE-UHFFFAOYSA-N	305.236	2.172	10	1	DECF	
N=C(N)NC(=N)Nc1ccc(Cl)cc1C(=O)c1ccccc1	20459046	HAJLUVJLYDPZOH-UHFFFAOYSA-N	315.764	2.401	10	1	DECF	
CC(C)(Cc1ccc(O)cc1)NC[C@@H](O)c1ccc(O)c(O)c1	136671517	CTXHFGIUMIBAFO-QGZVFWFLSA-N	317.385	2.448	10	1	DECF	
C[C@H]1CCC(=O)OC[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356793729	HNHPTZHAIBEYPE-WCQYABFASA-N	320.341	2.386	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1c(F)ccc(F)c1F	43009606	GIWRCSLENCJWTI-UHFFFAOYSA-N	323.226	2.311	10	1	DECF	
Cc1cc2c(cc1O)[C@@H](c1cccc(F)c1O)N[C@H](C(=O)O)C2	963474940	XVQOOPYWLBLUFY-DZGCQCFKSA-N	317.316	2.234	10	1	DECF	
COC(=O)Cn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	13652356	YZLBGCGHCZWAON-UHFFFAOYSA-N	319.316	2.386	10	1	DECF	
OC1=Cc2c(cc(O)c(O)c2O)O[C@H]1c1ccc(O)c(O)c1	2356820123	FILSIIBNLWVFNL-HNNXBMFYSA-N	304.254	2.247	10	1	DECF	
COc1ccc(N2CC[C@H](N)[C@H](c3ccccn3)C2)cc1OC	36310937	BXQOXJQZJVWZOG-CABCVRRESA-N	313.401	2.420	10	1	DECF	
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@@H]2CO	6072089	OUFIJYAHFBAFBX-OLZOCXBDSA-N	312.321	2.017	10	1	DECF	biogenic
COC(=O)[C@]12CSC[C@H]1C[C@H](c1ccc(N(C)C)cc1)N2	31900994	WTSUOXOXGJZUOL-XPKDYRNWSA-N	306.431	2.062	10	1	DECF	
O=C(O)[C@@H]1Nc2c(cccc2N2CCOCC2)[C@H]2C=CC[C@@H]21	62241729	BUBNBCQHMMYXBQ-PVXIVEMSSA-N	300.358	2.062	10	1	DECF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(F)c3[nH]2)c1	586948634	KVWAISRXXBMLHW-UHFFFAOYSA-N	321.333	2.446	10	1	DECF	
CN(CCO)c1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1	587193018	PMHVQGZXNFTFOE-UHFFFAOYSA-N	311.341	2.357	10	1	DECF	
Oc1ccccc1CNc1ncnc2c1ncn2[C@@H]1CCCO1	40403989	LHJCXDMSWQSKLF-ZDUSSCGKSA-N	311.345	2.453	10	1	DECF	
COc1cc(C[C@@H](N)c2ccc(O)c(O)c2)cc(OC)c1OC	169329186	NTYUWKSKVQIIGW-GFCCVEGCSA-N	319.357	2.366	10	1	DECF	
COc1cc(O)c2c(c1OC)C(=O)c1cc(C)cc(O)c1C2=O	14760821	XEWRTZLESCLJSY-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	biogenic
O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(F)cc(F)c2O)N1	962900235	PFOKLMKEEDSNCQ-JSGCOSHPSA-N	323.270	2.498	10	1	DECF	
Cc1cc([C@H]2Oc3cc(O)cc(O)c3C[C@@H]2O)c(C)c(O)c1O	169348114	NPQJQSSNEAKXHD-SUMWQHHRSA-N	318.325	2.163	10	1	DECF	
CC(=O)N(C1CCCCC1)[C@@H]1C(=O)C(=O)c2ccccc2C1=O	13112110	NYKCPAODYWPTIW-HNNXBMFYSA-N	313.353	2.185	10	1	DECF	
O=C(O)Cc1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1	29549395	JPKAYPYWQXQYJG-UHFFFAOYSA-N	318.417	2.211	10	1	DECF	
O=C1c2cc([N+](=O)[O-])sc2C(=O)c2cc([N+](=O)[O-])sc21	1648905	JINIASJFBXDUOB-UHFFFAOYSA-N	310.268	2.401	10	1	DECF	
Oc1ccccc1CNc1ncnc2c1ncn2[C@H]1CCCO1	40403992	LHJCXDMSWQSKLF-CYBMUJFWSA-N	311.345	2.453	10	1	DECF	
O=C(O)c1cc(O)c(O)cc1-c1cc2cc(O)ccc2oc1=O	169309742	SCAURLDVWSAPGC-UHFFFAOYSA-N	314.249	2.275	10	1	DECF	
Cc1ccc([N+](=O)[O-])cc1/N=N/c1c(C)[nH]n(C(N)=S)c1=O	169325958	KBUDHIFJPBZMIW-CCEZHUSRSA-N	320.334	2.209	10	1	DECF	
CCOC(=O)C(=[N+]=[N-])[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21	963100478	BCDJVTSNUJFIEN-SUMWQHHRSA-N	317.364	2.295	10	1	DECF	
COc1cc(C(=O)C(=O)c2cccc(O)c2)cc(OC)c1OC	29047514	VSMRVJSYGFKTGJ-UHFFFAOYSA-N	316.309	2.484	10	1	DECF	
CN(C)Cc1ccc(C(=O)NCc2ccc(F)cc2)c(O)c1O	72106525	RBSMCBOYYQXMSE-UHFFFAOYSA-N	318.348	2.229	10	1	DECF	
C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccc(N(C)C)cc1	96929065	RUOFFEDFEBCPQA-LZGFCCKTSA-N	316.361	2.409	10	1	DECF	
O=C1/C(=C\c2cccc(O)c2)C=NN1C(=O)c1ccccc1O	169697280	BIUMRDHYCWGNLD-WQLSENKSSA-N	308.293	2.150	10	1	DECF	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@H]4C(=O)C(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O	169684390	XHDFWRAKNUDZSD-MYKODXHASA-N	320.429	2.109	10	1	DECF	
COc1ccc2oc3cc(O)c(O)c(OC)c3c(=O)c2c1O	238763792	JXTRONMGACAEHH-UHFFFAOYSA-N	304.254	2.080	10	1	DECF	biogenic,in-vitro
O=C(O)[C@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@H]12	1065922	WGUAPOVFDKLQGB-KORWRZNCSA-N	310.693	2.492	10	1	DECF	
Cc1cncc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c12	586948678	SABBESXYJIZVOJ-UHFFFAOYSA-N	318.358	2.010	10	1	DECF	
CC1=CCC[C@](C)(CC(=O)c2cc(O)c(O)cc2O)OC1=O	14618550	QNBHDATYDIMBOB-MRXNPFEDSA-N	306.314	2.418	10	1	DECF	biogenic
CCCCOC(=O)CC[C@@H]1Cc2ccc(O)c(O)c2C(=O)O1	2356654746	IXGJZYNLMAZBRN-LLVKDONJSA-N	308.330	2.303	10	1	DECF	
COc1c(O)cc(O)c2c1O[C@@H](c1ccc(O)c(O)c1)CC2=O	14643983	DQVNDBVGXKWWNS-CYBMUJFWSA-N	318.281	2.224	10	1	DECF	biogenic
O=C1OC(c2ccc(O)c(O)c2)=CC1=Cc1ccc(O)c(O)c1	2356474486	TZBZGNPXKXHFKI-UHFFFAOYSA-N	312.277	2.490	10	1	DECF	
Nc1ccc(N2C(=O)c3ccc(OCCF)cc3C2=O)cc1	40943401	OBKMGSCABSKABR-UHFFFAOYSA-N	300.289	2.418	10	1	DECF	
CC(=O)N[C@H](C(=O)NCc1ccccc1)c1cc(C)ccc1O	28008339	RUDXMQKDHMEKNC-KRWDZBQOSA-N	312.369	2.194	10	1	DECF	
COc1cc(OC)c2ccc(=O)oc2c1C(=O)C(=O)C(C)C	299857376	CRYMFGQAFXDXLP-UHFFFAOYSA-N	304.298	2.218	10	1	DECF	
COc1cc2oc(-c3ccc(O)cc3)c(O)c(=O)c2c(O)c1O	14644928	YLRSIAJFRWNBHO-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2cc(F)ccc21	36338803	XIGSWLZGUARZJY-MLPAPPSSSA-N	321.315	2.025	10	1	DECF	
COc1ccc(C[C@@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1	28474308	XSHSAWVDZIHHRQ-LSDHHAIUSA-N	303.402	2.400	10	1	DECF	
COc1ccccc1OCCNCCc1ccc(O)c(O)c1	653856278	RNAXJKKVCJEZIO-UHFFFAOYSA-N	303.358	2.318	10	1	DECF	
Cc1c(O)c(O)c2c(c1O)C(=O)[C@@H](Cc1ccc(O)cc1)CO2	2356452430	PHVAJSHZGQKOKJ-JTQLQIEISA-N	316.309	2.251	10	1	DECF	
O=C(CN1C(=O)CSC1=S)Oc1ccc(Cl)cc1	1772616734	IYWTYEYOVNNZAS-UHFFFAOYSA-N	301.776	2.106	10	1	DECF	
CNCCNc1ccc2ncnc3c2c1C(=O)c1ccccc1-3	13589937	SPGVCDNPEZGOIZ-UHFFFAOYSA-N	304.353	2.473	10	1	DECF	
Nc1ccc(C(=O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)cc1	13490152	IFQODAIKTVKMDK-UHFFFAOYSA-N	324.292	2.157	10	1	DECF	
CC(=O)N1N=C(c2ccc(C)nc2)O[C@H]1c1ccc(O)c(O)c1	96935251	JDBLEHLSUMJMCQ-INIZCTEOSA-N	313.313	2.040	10	1	DECF	
COc1ccc(C2=NN[C@]3(S2)C(=O)Nc2ccccc23)cc1	28824727	ZKPRQYGVPYDRPR-MRXNPFEDSA-N	311.366	2.498	10	1	DECF	
Cc1cc(O)c2c(c1)C(=O)c1c(O)c(O)c(Cl)c(O)c1C2=O	13386565	LSXDSQPJNKGFHK-UHFFFAOYSA-N	320.684	2.246	10	1	DECF	biogenic
C[C@H](Cc1ccc(O)c(O)c1)N[C@H]1Cc2ccc(O)c(O)c2C1	29059231	UJZZCKKTGGVANC-MFKMUULPSA-N	315.369	2.197	10	1	DECF	
COc1c(O)ccc2c1OC(c1ccc(O)c(O)c1)=C[C@H]2O	238745206	DRXQLTPOWSVUMZ-GFCCVEGCSA-N	302.282	2.279	10	1	DECF	
COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(O)cc3CN1CC2	14886027	NZFYGBOUVBINBH-CQSZACIVSA-N	313.353	2.468	10	1	DECF	biogenic
COc1cc2c(c(O)c1OC)C(=O)c1ccc(C)c(O)c1C2=O	14760776	KKLGXXIKRQSIID-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	biogenic
C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCOCC1	1857767949	PLWOCWBCOPWVDG-NSHDSACASA-N	311.337	2.448	10	1	DECF	
O=C(CCC(=O)c1ccc(O)c(O)c1)Cc1ccc(O)c(O)c1	238768354	YSYPZDDDDSUFHB-UHFFFAOYSA-N	316.309	2.284	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@H]1C=C(C)O[C@@H](OC)[C@@H]1C2=O	102070536	LTEMXFQHSPJXMG-RMLVOYDJSA-N	318.325	2.222	10	1	DECF	
CC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	103297440	HHIMKXBURGQUEF-FDQGKXFDSA-N	311.429	2.274	10	1	DECF	
COc1cc(C2=NN(C(=N)N)[C@H](c3ccccc3)C2)ccc1O	653740498	XOQCOKONYBENGO-AWEZNQCLSA-N	310.357	2.445	10	1	DECF	
COc1ccc2c(c1O)C(=O)c1c(cc(C)c(O)c1OC)C2=O	473156097	SLDOOOYICLSPEH-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
COc1cc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)ccc1O	14760695	OZVBXGBZPZBKJO-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
COC(=O)Cc1cc(NCc2cc(O)ccc2O)ccc1O	13735382	GHQGQYAVVLRDHS-UHFFFAOYSA-N	303.314	2.131	10	1	DECF	
COc1ccc(-c2coc3cc(O)c(O)c(O)c3c2=O)cc1O	39004853	UTMSPYXAMXSXRW-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
O=[N+]([O-])c1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1	11422317	FYKLEAMVFXMBBT-AWEZNQCLSA-N	300.314	2.436	10	1	DECF	
COCC1=C(OC)[C@@H]2C(=O)c3ccccc3C(=O)[C@H]2C=C1O	2356713926	WUMJGALCHPNHQD-FZMZJTMJSA-N	300.310	2.300	10	1	DECF	
Nc1ccc(NC(=O)Nc2ccc(NC3=NCCN3)cc2)cc1	49033667	DGRQHSBRHXYSFS-UHFFFAOYSA-N	310.361	2.284	10	1	DECF	
C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCNCC1	1857650451	GVCPAWHFHUVLRD-NSHDSACASA-N	310.353	2.021	10	1	DECF	
Oc1cc2c(cc1O)[C@@H]1Oc3cc4c(cc3[C@@H]1CO2)OCO4	14763352	QNMYAYDPWHAXCP-FVMDXXJSSA-N	300.266	2.436	10	1	DECF	biogenic
NC[C@@H]1O[C@@H](COc2ccccc2)Cc2c1ccc(O)c2O	26576192	KOHDNXKBNHHXKQ-WBMJQRKESA-N	301.342	2.118	10	1	DECF	
Oc1ccc2c(c1O)O[C@@H]1c3ccc4c(c3OC[C@H]21)OCO4	238775179	BHEWGLSSFZGDOE-NOZJJQNGSA-N	300.266	2.436	10	1	DECF	
OC1=C[C]2OC(c3cc(O)c(O)c(O)c3)=C(O)C=C2C(O)=C1O	2356840116	GLYOZRRPMXCYGW-UHFFFAOYSA-N	319.245	2.302	10	1	DECF	
COc1cc(O)c2c(c1)OC[C@H](c1ccc(O)c(O)c1)C2=O	238740065	DCARJVFHBKAVDR-SNVBAGLBSA-N	302.282	2.171	10	1	DECF	
NCCCCNc1ccc(O)c2c1C(=O)c1ccccc1C2=O	1857536729	USYNEIPFKZWLCQ-UHFFFAOYSA-N	310.353	2.318	10	1	DECF	
O=C1OC[C@@H](Cc2cccc(O)c2O)[C@H]1Cc1cccc(O)c1	2356310808	NHWWOCIDXQDDJV-UKRRQHHQSA-N	314.337	2.378	10	1	DECF	
CC(C)(C)NC[C@@H](O)COc1cc(O)c(O)c2c1CCCC2	169319525	BCIUHQBLEFNVQW-LLVKDONJSA-N	309.406	2.104	10	1	DECF	
COc1cc(-c2coc3cc(O)c(O)c(O)c3c2=O)ccc1O	14645989	FOYZEKURDCJBSQ-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
C[C@H]1C(=O)NN=C(c2ccc(N)cc2)c2cc3c(cc21)OCCO3	29123931	QEQZCLORUBPAKB-SNVBAGLBSA-N	323.352	2.026	10	1	DECF	
CC(=O)N(c1ccccc1)[C@H]1C(=O)C(=O)c2ccccc2C1=O	6363261	FFFKRKGHYMELNP-OAHLLOKOSA-N	307.305	2.056	10	1	DECF	
O=[N+]([O-])c1ccc(C[C@H]2NCCc3cc(O)c(O)cc32)cc1	11422316	FYKLEAMVFXMBBT-CQSZACIVSA-N	300.314	2.436	10	1	DECF	
O=C1c2nc3n(c2C(=O)c2nc4n(c21)CCCCC4)CCCCC3	84602890	PIGCTDWFLPEXRC-UHFFFAOYSA-N	324.384	2.308	10	1	DECF	
COC1=C(O)[C@H](O)C=C2O[C@H](c3ccc(O)c(O)c3)C=C[C@H]21	2356854261	RNECSZXMEHHZMV-WQAKAFBOSA-N	304.298	2.016	10	1	DECF	
CCOC(=O)Cc1ccc2c(c1O)C(=O)c1sccc1C2=O	299831550	COUPJYCUVXNCKB-UHFFFAOYSA-N	316.334	2.335	10	1	DECF	
CCN1C(=O)/C(=C\C=C\C=C\c2ccco2)C(=O)NC1=S	1857759774	RWOPIXPNFHZSRA-LYDVKKHVSA-N	302.355	2.039	10	1	DECF	
COCC1=C(OC)[C@H]2C(=O)c3ccccc3C(=O)[C@@H]2C=C1O	2356713925	WUMJGALCHPNHQD-BXUZGUMPSA-N	300.310	2.300	10	1	DECF	
COc1ccc(N2C(=O)[C@@H](N=[N+]=[N-])[C@@H]2[C@H]2COC(C)(C)O2)cc1	73351277	VDKDFDANZWORNP-AGIUHOORSA-N	318.333	2.241	10	1	DECF	
CC(=O)C(=O)[C@]1(C)CC[C@@H]2CC(=O)CC[C@@]2(C)[C@H]1CC(=O)O	2356479381	NOONIMVJSKMYOV-MCPWVCTESA-N	308.374	2.411	10	1	DECF	
O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccco1	1857626911	RJAGHGTWLAORIL-UHFFFAOYSA-N	316.313	2.250	10	1	DECF	
COc1c(O)ccc2c1OC(c1ccc(O)c(O)c1)=C[C@@H]2O	2356774810	DRXQLTPOWSVUMZ-LBPRGKRZSA-N	302.282	2.279	10	1	DECF	
CC(C)CCC(=O)OCC(=O)NCc1ccc(N(C)C)cc1	7096672	OPVWEWWBTOOQOL-UHFFFAOYSA-N	306.406	2.348	10	1	DECF	biogenic
O=C(O)c1ccc(Br)c([C@H]2NCCS2)c1O	146851931	HYLCMVHTEPFTQQ-VIFPVBQESA-N	304.165	2.188	10	1	DECF	
O=C1C[C@@H](c2cccc(O)c2O)Oc2cc3c(c(O)c21)OCO3	14643333	KGKAAUBCGDPTDT-JTQLQIEISA-N	316.265	2.239	10	1	DECF	biogenic
CC(=O)c1c2c(n3cccc(O)c13)C(=O)c1ncccc1C2=O	40874584	VVNJCDJSPZEYCY-UHFFFAOYSA-N	306.277	2.018	10	1	DECF	
Cn1c2c(c3ccc(CC(=O)O)cc3c1=O)C(=O)c1ccccc1-2	95585527	XPZPWVJSZSLRTQ-UHFFFAOYSA-N	319.316	2.377	10	1	DECF	
Cc1cc(C)c(C2C(=O)N3CCOCCN3C2=O)c(C(C)C)c1	103170173	HWWWCRJYTDTLLW-UHFFFAOYSA-N	316.401	2.126	10	1	DECF	
Nc1ccc(OCCN2CCN(c3ccc(N)cc3)CC2)cc1	26720060	YEWYGNPPTRAZOX-UHFFFAOYSA-N	312.417	2.052	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(F)c(F)c(F)c1	43066170	MJAOWQUYFUDQEB-UHFFFAOYSA-N	323.226	2.311	10	1	DECF	
Cn1c2c(c3ccccc3c1=O)C(=O)c1cc3c(cc1-2)OCO3	13652359	OKCIVKFJZUXQJQ-UHFFFAOYSA-N	305.289	2.479	10	1	DECF	
COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)cc1O)[C@@H](C2)C3=O	587448537	DQUVBWZNUSGCCP-BTDLBPIBSA-N	314.293	2.301	10	1	DECF	
O=C1c2cc([N+](=O)[O-])sc2C(=O)c2c([N+](=O)[O-])csc21	1647982	ZPTJGLPQTLNGGS-UHFFFAOYSA-N	310.268	2.401	10	1	DECF	
COc1ccc2c(c1O)O[C@H]1c3ccc(O)c(O)c3OC[C@@H]21	2356407394	WPDUKDYMZYNKAB-XPTSAGLGSA-N	302.282	2.422	10	1	DECF	
O=C1OC(c2ccc(O)c(O)c2)=C/C1=C/c1cc(O)cc(O)c1	13367232	NKCVEROYQKLTRJ-JYOAFUTRSA-N	312.277	2.490	10	1	DECF	endogenous,in-man
COc1cc2c(c(O)c1O)C(=O)[C@@H](Cc1ccc(O)cc1)CO2	2356512272	WYOZGBMNTWCNDD-JTQLQIEISA-N	316.309	2.246	10	1	DECF	
CN(C)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	95591577	FYYBLJCUXCGZNL-UHFFFAOYSA-N	305.337	2.400	10	1	DECF	
C[C@@H]1C(=O)NN=C(c2ccc(N)cc2)c2cc3c(cc21)OCCO3	29123929	QEQZCLORUBPAKB-JTQLQIEISA-N	323.352	2.026	10	1	DECF	
COC(=O)c1cccc(-c2ccc3c(n2)C(=O)C(=N)C=C3O)n1	29565011	LFCMFGVEIOTERK-UHFFFAOYSA-N	309.281	2.045	10	1	DECF	
O=[N+]([O-])c1ccc2[nH]c(O)c(N=N[C@H]3CCS(=O)(=O)C3)c2c1	254010604	MMROEZHDSWTHAH-ZETCQYMHSA-N	324.318	2.053	10	1	DECF	
Cc1ccc2c(O)c(C(=O)NCc3ccc(N)cc3)cnc2n1	28524296	QZGMXJAEOXKUSU-UHFFFAOYSA-N	308.341	2.156	10	1	DECF	
C[C@@H]1CCCN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1	13677671	XYGDVCGCANBLDC-SNVBAGLBSA-N	308.334	2.311	10	1	DECF	
[N-]=[N+]=N[C@@H]1C[C@@H](CO)S[C@@H]1n1cnc2c(Cl)ncnc21	6585397	NWBOSDXEMSFRBL-ZTNVNUCQSA-N	311.758	2.155	10	1	DECF	
COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O	587449193	IIXIJNPVUXWCKQ-DYZYQPBXSA-N	314.293	2.301	10	1	DECF	
Oc1ccc([C@@H]2C[C@H](c3ccc(O)c(O)c3)OC[C@H]2O)cc1	238745303	SCNKREQBVRXLEP-IAOVAPTHSA-N	302.326	2.410	10	1	DECF	
CCOCc1c(O)cc2c(c1O)C(=O)c1cccc(O)c1C2=O	196186948	LHINKCSFCHRRBG-UHFFFAOYSA-N	314.293	2.115	10	1	DECF	
NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O	73403394	XJKGSILOBGDHAT-ZDUSSCGKSA-N	313.382	2.493	10	1	DECF	
O=C(CCc1ccc(O)c(O)c1)OCc1ccc([N+](=O)[O-])o1	103238835	LMETXPLAQOCORL-UHFFFAOYSA-N	307.258	2.275	10	1	DECF	
CC(=O)c1ccccc1N/C=C1\C(=O)N=C2C=C(C)C=CN2C1=O	103277327	MAYONRGNNDSJAV-GXDHUFHOSA-N	321.336	2.426	10	1	DECF	
CCOC(=O)C(=[N+]=[N-])[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21	963100473	BCDJVTSNUJFIEN-DYVFJYSZSA-N	317.364	2.295	10	1	DECF	
C[n+]1nn(-c2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O	169310472	VLYBYDWHLZVSBC-UHFFFAOYSA-N	324.747	2.126	10	1	DECF	
COc1cc(/C=C/c2nc3ccc(C(=N)N)cc3[nH]2)cc(O)c1O	587786351	SNMQKDFZIJXFAD-GORDUTHDSA-N	324.340	2.437	10	1	DECF	
C[C@@H](Cc1ccc(O)c(O)c1)N[C@H]1Cc2ccc(O)c(O)c2C1	29059227	UJZZCKKTGGVANC-GWCFXTLKSA-N	315.369	2.197	10	1	DECF	
Cc1cc(O)c2c(c1O)C(=O)c1c(cc(Cl)c(O)c1O)C2=O	238759140	QSIKMTZXUMLYLR-UHFFFAOYSA-N	320.684	2.246	10	1	DECF	
O=c1[nH]ncc(/N=N/Cc2ccc(O)c([N+](=O)[O-])c2)c1Cl	169720950	STQPWSCWNBVEBQ-FYWRMAATSA-N	309.669	2.321	10	1	DECF	
COc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2	14643903	UZQWHZRLSLEWHW-GFCCVEGCSA-N	318.281	2.224	10	1	DECF	biogenic,in-vitro
O=C(NO)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O	73169338	CGYZEKBYZBJMED-ZDUSSCGKSA-N	313.313	2.348	10	1	DECF	
[N-]=[N+]=N[C@@H]1C[C@@H](CO)S[C@H]1n1cnc2c(Cl)ncnc21	6585384	NWBOSDXEMSFRBL-BAJZRUMYSA-N	311.758	2.155	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@H]1C=C(C)O[C@H](OC)[C@@H]1C2=O	169344142	LTEMXFQHSPJXMG-NCHVAJSOSA-N	318.325	2.222	10	1	DECF	
Cc1cc(C)c(C2C(=O)N3CCSCCN3C2=O)c(C)c1	103272829	KXORWUDUNRQEFD-UHFFFAOYSA-N	304.415	2.028	10	1	DECF	
COc1c(O)ccc2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc12	14644618	GHUPMTRNFXDXOB-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1cc(-c2nc3c([nH]2)C(=O)c2ccccc2C3=O)ccn1	1857652691	AHYNJPCABODKSJ-UHFFFAOYSA-N	305.293	2.256	10	1	DECF	
CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CCCOCN2C1=O	103192079	WHWZBOMHQLVZTM-INIZCTEOSA-N	316.401	2.167	10	1	DECF	
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN=[N+]=[N-]	95871840	MWWPHJMXSSKQGA-ZDUSSCGKSA-N	315.333	2.069	10	1	DECF	
C[C@H](O)Cc1nc2ccc3c(c2[nH]1)C(=O)c1ccccc1C3=O	586893401	VXSSLDLUGGPHNF-VIFPVBQESA-N	306.321	2.262	10	1	DECF	
CC(=O)N(c1ccccc1)[C@@H]1C(=O)C(=O)c2ccccc2C1=O	265987	FFFKRKGHYMELNP-HNNXBMFYSA-N	307.305	2.056	10	1	DECF	
Cc1c(CN2CCOCC2)oc2c1C(=O)C(=O)c1ccccc1-2	169353276	IJUMFAWKLWDGLZ-UHFFFAOYSA-N	311.337	2.466	10	1	DECF	
COc1ccc([C@H]2COc3c(ccc(O)c3O)C2)c(O)c1O	14645774	BPAJYCPZCVWTTL-SECBINFHSA-N	304.298	2.236	10	1	DECF	biogenic
O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc(O)c(O)c(O)c1	1857604522	UERCRTCKPBLQQB-UHFFFAOYSA-N	319.269	2.111	10	1	DECF	
O=C(c1ccc(O)cc1O)[C@H]1CCc2c(ccc(O)c2O)C1	2356341458	PQSPWMMSVYPZPZ-JTQLQIEISA-N	300.310	2.497	10	1	DECF	
COc1cc(O)c2c(=O)c3c(O)c(O)ccc3oc2c1OC	14648958	VHHWNXPFWRHUMZ-UHFFFAOYSA-N	304.254	2.080	10	3	DECF	biogenic
COc1cc2c(c(OC)c1O)C(=O)c1c(O)cc(C)cc1C2=O	14760783	PRLWQGIPHXIGFR-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	biogenic
COc1cc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O	238735266	AIWJWHYSKZHQND-LBPRGKRZSA-N	318.281	2.224	10	1	DECF	
O=[N+]([O-])c1cc(-c2cc(-c3cnccn3)no2)cc(O)c1O	49067079	PYGXYILLKTYMLN-UHFFFAOYSA-N	300.230	2.118	10	1	DECF	
C[C@@H]1CCC[C@@H](C[C@@H]2Cc3c(O)c(O)cc(O)c3C(=O)O2)O1	2356324962	VJAXQPIMLAFBFH-KXUCPTDWSA-N	308.330	2.233	10	1	DECF	
CN1C=CC2=C3[C]4C(=c5ncsc5=C31)CCN4c1ccccc12	2356848232	DNIRANHPEHYMND-UHFFFAOYSA-N	316.409	2.084	10	1	DECF	
COc1ccc(N2CC[C@@H](N)[C@H](c3ccccn3)C2)cc1OC	36310939	BXQOXJQZJVWZOG-HUUCEWRRSA-N	313.401	2.420	10	1	DECF	
Cc1cccc(COc2cccc(C=C3C(=O)NNC3=O)c2)c1	40938469	PBZLIABQEVGPCQ-UHFFFAOYSA-N	308.337	2.118	10	1	DECF	
CCNC(=O)c1cc2c(N3CCOCC3)ccc(OC)c2o1	49111177	JAUZUFUIJBCTLP-UHFFFAOYSA-N	304.346	2.028	10	1	DECF	
NC[C@@H](C(=O)Nc1ccc2cnccc2c1)c1ccc(O)c(O)c1	653699472	VWNKWTPRMLMOGX-OAHLLOKOSA-N	323.352	2.327	10	1	DECF	
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(OCCO)ccc12	27205904	HQVQUGUHAFIPRI-UHFFFAOYSA-N	314.293	2.242	10	1	DECF	
Oc1ccc2c(c1O)OC[C@H]1c3cc4c(cc3O[C@H]21)OCO4	14763402	GGIPOZCJJKKBBV-BJOHPYRUSA-N	300.266	2.436	10	1	DECF	biogenic
O=C1OC[C@@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1O	2356767260	XZCLFXNAFVVPJG-UKRRQHHQSA-N	314.337	2.378	10	1	DECF	
COc1cc2oc3cc(O)c(O)c(OC)c3c(=O)c2cc1OC	14648881	HXDDCCDTVYUVJA-UHFFFAOYSA-N	318.281	2.383	10	1	DECF	biogenic
CCCCn1cnc2c1C(=O)c1ncn(CCCC)c1C2=O	84602893	HWFINAQEUCRHMS-UHFFFAOYSA-N	300.362	2.455	10	1	DECF	
C[C@@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1[N+](=O)[O-]	96929072	CKQRUGDZZJYJAU-VQCYPWCPSA-N	318.289	2.251	10	1	DECF	
COc1cccc([C@@H]2Cc3c(ccc(O)c3O)[C@H](CN)O2)c1	13823801	GKRQKKOXKDSLTJ-HOTGVXAUSA-N	301.342	2.420	10	1	DECF	
CC1=NN(C(=O)CN2CCSCC2)[C@H](c2ccccc2O)C1	653729238	NSVLNTMMSLPHIB-AWEZNQCLSA-N	319.430	2.090	10	1	DECF	
O=C1OC[C@@H](Cc2ccc(O)c(O)c2)[C@H]1Cc1cccc(O)c1	2356330598	MJMVFOFWTGVQBW-UKRRQHHQSA-N	314.337	2.378	10	1	DECF	
OC1=Cc2c(cc(O)c(O)c2O)O[C@@H]1c1ccc(O)c(O)c1	2356820124	FILSIIBNLWVFNL-OAHLLOKOSA-N	304.254	2.247	10	1	DECF	
COc1cc2c(c(O)c1O)C(=O)C[C@@H](c1ccc(O)c(O)c1)O2	14643912	PHGRMBKBKPAXKQ-NSHDSACASA-N	318.281	2.224	10	1	DECF	biogenic
N=C(NO)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1O	49763022	KHBNTJSDDOWUHZ-ZDUSSCGKSA-N	312.329	2.162	10	1	DECF	
CN(C)CCNc1ccc(O)c2c1C(=O)c1ccccc1C2=N	27630469	YCEOMELHAWHGFH-UHFFFAOYSA-N	309.369	2.326	10	1	DECF	
CN1CCN(c2ccc3nc(-c4ccc(O)c(O)c4)[nH]c3c2)CC1	1250464811	MVXUYTYCSNVLLY-UHFFFAOYSA-N	324.384	2.393	10	1	DECF	
Oc1ccc2c(c1O)O[C@H]1c3ccc4c(c3OC[C@H]21)OCO4	2356409188	BHEWGLSSFZGDOE-RNCFNFMXSA-N	300.266	2.436	10	1	DECF	
C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCN(C)CC1	1857652193	JUFRVGGFBXPCOS-GFCCVEGCSA-N	324.380	2.363	10	1	DECF	
O=C(O)[C@H]1Nc2c(cccc2N2CCOCC2)[C@@H]2C=CC[C@@H]12	195437895	BUBNBCQHMMYXBQ-GHJWDPDVSA-N	300.358	2.062	10	1	DECF	
Cc1cc2c(cc1C)C(=O)[C@@H](O)[C@H](c1cccc(O)c1O)O2	1772614361	UGWUDJMEXBMACX-SJORKVTESA-N	300.310	2.392	10	1	DECF	
COc1c(O)c(O)c(O)c2c(=O)c(-c3ccc(O)cc3)coc12	14646151	NHKRWDZHHWTCAH-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
O=C1c2ccc(O)cc2O[C@H]2c3cc(O)c(O)cc3CO[C@H]12	14638436	ZKTRTVSORJMRTK-JKSUJKDBSA-N	300.266	2.019	10	1	DECF	biogenic
Cc1ccnc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12	586948001	JJOHLDKIFMZWGD-UHFFFAOYSA-N	318.358	2.010	10	1	DECF	
Cc1c(/C=C2\C(=O)NN=C2c2cnccn2)[nH]c2ccccc12	28386094	BVXORFMGHHUQAM-WQLSENKSSA-N	303.325	2.184	10	1	DECF	
CN(C)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1	26397202	CUBPQYMSPOTCSW-OAHLLOKOSA-N	303.387	2.155	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1c(F)cccc1F	42919953	LIEQFRXBJLZAPA-UHFFFAOYSA-N	305.236	2.172	10	1	DECF	
Oc1ccc([C@@H]2CNCCc3c(F)c(O)c(O)c(F)c32)cc1	26388890	MMEPSOHTUJFLBI-NSHDSACASA-N	307.296	2.359	10	1	DECF	
CCN1Cc2cc(OC)ccc2N(CC(C)(C)O)CCC1=O	299852813	XXKHAWJWUPPULE-UHFFFAOYSA-N	306.406	2.025	10	1	DECF	
Cn1c(=O)ccc2c(-c3cnc(-c4cccnc4)s3)[nH]nc21	653833430	PFOGDCSCNOVGQE-UHFFFAOYSA-N	309.354	2.447	10	1	DECF	
CCOC(=O)[C@H](CC(C)C)NC(=O)NCc1ccc(N)cc1	117858313	RRSLIYOSFOKPNH-AWEZNQCLSA-N	307.394	2.046	10	1	DECF	
Oc1ccc(CCN[C@H]2CCc3cc(O)c(O)cc3C2)cc1O	27900870	ADAIAMAHTNLSLY-AWEZNQCLSA-N	315.369	2.199	10	1	DECF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3cccc(O)c3[nH]2)c1	586947767	FANRFQQOGXOCEQ-UHFFFAOYSA-N	319.342	2.013	10	1	DECF	
COc1cc2c(c(OC)c1O)C(=O)c1c(ccc(C)c1O)C2=O	14760789	UKUQUIGVHDWZRU-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	biogenic,in-vitro
O=c1c2cc(O)c(O)cc2nc2n1Cc1cc3ccccc3nc1-2	28874403	RKNNJIBYRWYYOF-UHFFFAOYSA-N	317.304	2.385	10	1	DECF	
O=C1OC[C@H](Cc2cccc(O)c2O)[C@H]1Cc1cccc(O)c1	95620787	NHWWOCIDXQDDJV-DZGCQCFKSA-N	314.337	2.378	10	1	DECF	endogenous,in-man
COc1ccc(NCCCN)c2c1C(=O)c1ccccc1C2=O	28768285	ZRLBMHTWRHEADA-UHFFFAOYSA-N	310.353	2.231	10	1	DECF	
Cc1cnc(SCc2ccc3c(O)nc(O)nc3n2)s1	587564379	QYHBGDXETRRBNB-UHFFFAOYSA-N	306.372	2.493	10	1	DECF	
COc1ccc(C(=O)C(=O)c2cn(Cc3ccccc3)nn2)cc1	96932349	SIUIELRWKSVVOC-UHFFFAOYSA-N	321.336	2.401	10	1	DECF	
O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCc1ccccc1	96901588	WMAHYSAKGZMURI-CMDGGOBGSA-N	305.355	2.188	10	1	DECF	
O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](c2c(O)cccc2F)N1	962923719	RUVQXTHXHJUMDY-WFASDCNBSA-N	305.280	2.359	10	1	DECF	
O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCc1ccc(F)cc1	96917386	CMEQZQKGBJJBEX-BQYQJAHWSA-N	323.345	2.327	10	1	DECF	
COc1ccc2c(c1)CN(C)C(=O)CCN2C[C@@H](O)C(C)(C)C	299852350	QTKGSROFAFIJKB-MRXNPFEDSA-N	320.433	2.271	10	1	DECF	
Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(O)c(O)c1O)O2	587402973	DCUAXWVJWHMRQK-CYBMUJFWSA-N	301.298	2.401	10	1	DECF	
C[C@@H](C[C@H]1CC=CC(=O)O1)OC(=O)CCc1ccc(O)c(O)c1	14720479	DEJPAJWPCTUPPL-WCQYABFASA-N	320.341	2.224	10	1	DECF	biogenic
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2CCO[C@@H]2O1	14828625	UBZLJWZWSDCTKZ-NTCNTBNZSA-N	324.288	2.096	10	1	DECF	biogenic
O=C1CSC(=S)N1Cc1nnc(-c2ccccc2F)o1	103265657	ULHQVTSYLQGKQO-UHFFFAOYSA-N	309.347	2.236	10	1	DECF	
CCCc1cc(O)c2c(c1O)C(=O)c1cc(O)cc(O)c1C2=O	2356801963	QXZPMGRMUNJHJU-UHFFFAOYSA-N	314.293	2.237	10	1	DECF	
O=C(CCc1cc(O)c(O)c(O)c1)Nc1cccc(C(=O)O)c1	35274455	SIPFYLFVHRBZAL-UHFFFAOYSA-N	317.297	2.073	10	1	DECF	
COc1cc(/N=N/c2ccc(S(N)(=O)=O)cc2)ccc1O	6041673	PSDIXIAIHMIHBY-FOCLMDBBSA-N	307.331	2.464	10	1	DECF	
COc1cc2c(cc1O)[C@H]1Cc3ccc(O)c(O)c3CN1CC2	238779053	LMCDPTITCNKVNR-CQSZACIVSA-N	313.353	2.468	10	1	DECF	
O=C(O)[C@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]12	13144944	WGUAPOVFDKLQGB-DGAHNEANSA-N	310.693	2.492	10	1	DECF	
Cc1nc2c(c3c1C(=O)c1c(O)cccc1C3=O)C(=O)CCC2	40379071	FIZONXIEVPEKNX-UHFFFAOYSA-N	307.305	2.390	10	1	DECF	
CCOc1ccccc1/N=N/c1c(C)[nH]n(C(N)=S)c1=O	169325509	GNIXQUTXGDLZKC-FOCLMDBBSA-N	305.363	2.391	10	1	DECF	
[N-]=[N+]=N[C@H]1C[C@H](CO)S[C@@H]1n1cnc2c(Cl)ncnc21	6585399	NWBOSDXEMSFRBL-KORWRZNCSA-N	311.758	2.155	10	1	DECF	
Cc1ccn2c3c(c(C(=O)O)c2c1)C(=O)c1cccnc1C3=O	1857767037	DLTSUTJRTVITAX-UHFFFAOYSA-N	306.277	2.116	10	1	DECF	
CN(C)CCNC(=O)c1ccc2c(N)c3ccccc3nc2c1	5957830	MUEZPZYBMMFYRX-UHFFFAOYSA-N	308.385	2.262	10	1	DECF	
COc1ccc(N2CC[C@H](N)[C@@H](c3ccccn3)C2)cc1OC	28821833	BXQOXJQZJVWZOG-GJZGRUSLSA-N	313.401	2.420	10	1	DECF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(O)c(O)c1O)O2	587402975	DCUAXWVJWHMRQK-ZDUSSCGKSA-N	301.298	2.401	10	1	DECF	
Oc1ccc([C@@H]2Oc3cc(O)c(Cl)c(O)c3C[C@H]2O)cc1O	14642759	BHTBHJNGFQRAJI-ABAIWWIYSA-N	324.716	2.200	10	1	DECF	endogenous,in-man
CC[C@H]1C(=O)NN=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3	29124399	KUSZVITVGOCRJK-GFCCVEGCSA-N	323.352	2.373	10	1	DECF	
Cc1cc(-n2nnc3c2C(=O)c2ccccc2C3=O)ccc1F	1911583588	ROCMXAPLOMGRPK-UHFFFAOYSA-N	307.284	2.490	10	1	DECF	
C[C@@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1O	34140461	NLCHNUHNZBPKDF-PXIFSJAGSA-N	304.298	2.107	10	1	DECF	in-man
Cc1sc2nc(-c3cc(O)c(O)c(O)c3)[nH]c(=O)c2c1C	96907916	QETDBFVUNCZZSX-UHFFFAOYSA-N	304.327	2.385	10	1	DECF	
O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](c2c(O)cccc2F)N1	962923717	RUVQXTHXHJUMDY-SWLSCSKDSA-N	305.280	2.359	10	1	DECF	
O=c1c(-c2ccc([N+](=O)[O-])c(O)c2)coc2cc(O)c(O)cc12	28875469	GPRLGQDTCWBGKZ-UHFFFAOYSA-N	315.237	2.485	10	1	DECF	
CCOC(=O)c1c2c(n3ccccc13)C(=O)c1ncccc1C2=O	34406434	OQYRVZDWHQOCGR-UHFFFAOYSA-N	320.304	2.286	10	1	DECF	
CC(=O)Oc1ccc2c(c1)C(=O)c1cc(C(=O)O)ccc1C2=O	3810507	QKVDFGAKEFJROU-UHFFFAOYSA-N	310.261	2.086	10	1	DECF	
COc1cc2c(c(O)c1O)C(=O)C[C@H](c1ccc(O)c(O)c1)O2	14643909	PHGRMBKBKPAXKQ-LLVKDONJSA-N	318.281	2.224	10	1	DECF	biogenic
Oc1ccc([C@H]2Oc3cc(O)c(Cl)c(O)c3C[C@H]2O)cc1O	14642753	BHTBHJNGFQRAJI-IAQYHMDHSA-N	324.716	2.200	10	1	DECF	endogenous,in-man
O=C1NC(=O)C(=CNc2ccc(-c3ccccc3)cc2)C(=O)N1	1857744133	IVCPBQGFOOFDIT-UHFFFAOYSA-N	307.309	2.015	10	1	DECF	
C[C@@H]1CCC[C@H](C[C@H]2Cc3c(O)c(O)cc(O)c3C(=O)O2)O1	2356324961	VJAXQPIMLAFBFH-BBBLOLIVSA-N	308.330	2.233	10	1	DECF	
Oc1ccc([C@H]2CNCCc3c(F)c(O)c(O)c(F)c32)cc1	26388893	MMEPSOHTUJFLBI-LLVKDONJSA-N	307.296	2.359	10	1	DECF	
O=C1c2[nH]cc3c2C(=[N+](O)CC3)c2c(-c3ccc(O)cc3)c[nH]c21	14824227	LWAKZGNGUQUICK-UHFFFAOYSA-O	320.328	2.055	10	1	DECF	
Cc1nc(-c2noc(-c3cc(O)c(O)c([N+](=O)[O-])c3)n2)cs1	49069518	HDAVSRVBZVBZJN-UHFFFAOYSA-N	320.286	2.488	10	1	DECF	
COc1cc2c3c(c1)O[C@@H](c1ccc(O)c(O)c1O)[C@@H](C2)C3=O	587453268	XVQPWSVZUKALBI-BTDLBPIBSA-N	314.293	2.301	10	1	DECF	
O=C(O)[C@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@@H]2C=CC[C@@H]12	135602503	SLERUHSLMRNVML-GHJWDPDVSA-N	312.369	2.461	10	1	DECF	
C[C@H](CCCCCC(=O)O)NC[C@@H](O)c1ccc(O)c(O)c1	27557829	XECSIJTYTZDVGO-IAQYHMDHSA-N	311.378	2.144	10	1	DECF	
C[C@H](CCCCCC(=O)O)NC[C@H](O)c1ccc(O)c(O)c1	27557833	XECSIJTYTZDVGO-ABAIWWIYSA-N	311.378	2.144	10	1	DECF	
CC(=O)c1c(O)cc2c(c1C)C(=O)c1c(O)cc(O)cc1C2=O	13307177	VQTDYUMJGQPCBS-UHFFFAOYSA-N	312.277	2.090	10	1	DECF	biogenic
COc1cc2c(c(O)c1O)C(=O)c1c(OC)cc(C)cc1C2=O	196149461	NZEDELHSHSQXBS-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
COc1ccc([C@@H]2COc3c(ccc(O)c3O)C2)c(O)c1O	14645772	BPAJYCPZCVWTTL-VIFPVBQESA-N	304.298	2.236	10	1	DECF	biogenic
COc1cc(C(=O)O)c(OC)c2c1C(=O)c1ccccc1C2=O	3798988	SJOVOXDYBBDMLU-UHFFFAOYSA-N	312.277	2.177	10	1	DECF	
O=C1c2ccc(O)cc2O[C@H]2c3ccc(O)c(O)c3CO[C@@H]12	14610041	JZKMGBIDNPULDV-HOTGVXAUSA-N	300.266	2.019	10	1	DECF	biogenic,in-vitro
CC(=O)C(=O)[C@@]1(C)CC[C@H]2CC(=O)CC[C@]2(C)[C@@H]1CC(=O)O	53298200	NOONIMVJSKMYOV-SCTFDZSOSA-N	308.374	2.411	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(F)cc(F)c1	42919952	VPWNFWIHKHEIID-UHFFFAOYSA-N	305.236	2.172	10	1	DECF	
O=C1OC(c2ccc(O)c(O)c2)=C/C1=C\c1cc(O)cc(O)c1	238754496	NKCVEROYQKLTRJ-QDEBKDIKSA-N	312.277	2.490	10	1	DECF	
O=C(CNC(=O)c1ccccn1)N=Nc1c(O)[nH]c2ccccc12	253986911	LFXNGJDQGCTVMI-UHFFFAOYSA-N	323.312	2.309	10	1	DECF	
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)cc2c1=O	14644606	IPNIQWBEBIDVGQ-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
O=C(NCCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccccc12	13456464	WZXAQGWKWUDQQY-UHFFFAOYSA-N	324.336	2.121	10	1	DECF	
O=C(O)/C(=C/c1ccccc1)c1cc(O)c(O)cc1C(=O)O	96910393	ULJDJCKWWIKHIA-IZZDOVSWSA-N	300.266	2.421	10	1	DECF	
O=c1c(OCCO)c(-c2ccc(O)c(O)c2)oc2ccccc12	27208516	MBRRMRVEXLLAKG-UHFFFAOYSA-N	314.293	2.242	10	1	DECF	
NCCCCc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	5939645	LNTVMYGYFWLQSS-UHFFFAOYSA-N	311.337	2.155	10	1	DECF	
COc1ccc([C@H]2CC(=O)c3c(O)cc(O)c(O)c3O2)cc1O	34052708	IAFSGFVZGVPMIR-CYBMUJFWSA-N	318.281	2.224	10	1	DECF	
CN(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1	26397205	CUBPQYMSPOTCSW-HNNXBMFYSA-N	303.387	2.155	10	1	DECF	
Cc1ccc2nc(-c3cc(NS(C)(=O)=O)ccc3O)[nH]c2n1	586948311	NGWPAHVNQDGIKG-UHFFFAOYSA-N	318.358	2.010	10	1	DECF	
COc1c(O)c(O)c2oc3cc(O)cc(C)c3c(=O)c2c1O	2356660250	IQYJYAUKZNTWTJ-UHFFFAOYSA-N	304.254	2.086	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c(O)cc(Cn3ccnc3)cc21	29346113	QVFKYONVRHNIOJ-UHFFFAOYSA-N	320.304	2.118	10	1	DECF	
COc1ccc(OCC(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1	13585695	BRSBOOFHOICZHI-UHFFFAOYSA-N	319.269	2.276	10	1	DECF	
O=C(CCc1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1	202617934	GQGAKMDGSLWLHO-UHFFFAOYSA-N	318.325	2.228	10	1	DECF	
COc1cc2c(cc1O)CCN1Cc3cc(O)c(O)cc3C[C@@H]21	31500966	JBRMCLMXSZKCKB-AWEZNQCLSA-N	313.353	2.468	10	1	DECF	
CCN(Cc1ccc(N2CCCC2)cc1)c1nnnn1CC	95665706	ZNYKSYDLHSXLAB-UHFFFAOYSA-N	300.410	2.320	10	1	DECF	
C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O	1319961	ZUGCDOZAVASBQT-VARNEJRRSA-N	304.386	2.286	10	1	DECF	
N=C1c2nc3n(c2C(=O)c2nc4n(c21)CCCCC4)CCCCC3	84602895	ZRTHTAGNUDTBEL-UHFFFAOYSA-N	323.400	2.493	10	1	DECF	
COc1cc2c(cc1O)CCN1Cc3cc(O)c(O)cc3C[C@H]21	14886012	JBRMCLMXSZKCKB-CQSZACIVSA-N	313.353	2.468	10	1	DECF	biogenic
C[C@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1O	100081561	QFVMABQAPDBPMA-JTQLQIEISA-N	309.325	2.300	10	1	DECF	
COCc1c(O)cc2c(c1O)C(=O)c1ccc(OC)cc1C2=O	230594766	UEWKZNUFVSRCET-UHFFFAOYSA-N	314.293	2.028	10	1	DECF	
CC(C)NC(=O)OCc1cnc2c(c1)C(=O)c1ccccc1C2=O	28021744	JMGCRFRACCEYBT-UHFFFAOYSA-N	324.336	2.492	10	1	DECF	
COC(=O)c1c2c(n3ccccc13)C(=O)c1cccc(O)c1C2=O	1857766982	MXJMJQHUYHCGIQ-UHFFFAOYSA-N	321.288	2.207	10	1	DECF	
COc1cc2c3c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](C2)C3=O	587449191	IIXIJNPVUXWCKQ-BTDLBPIBSA-N	314.293	2.301	10	1	DECF	
O=C1O[C@@H](c2ccc(O)c(O)c2)C(c2ccc(O)cc2)=C1O	45498197	FZVVHOMGSDJSNH-HNNXBMFYSA-N	300.266	2.371	10	1	DECF	
CCOC(=O)C(=[N+]=[N-])[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21	963100476	BCDJVTSNUJFIEN-GUYCJALGSA-N	317.364	2.295	10	1	DECF	
COc1ccc2c(c1OC)C(=O)c1oc([C@H](C)O)cc1C2=O	13306608	PMZOFUIYYIIGJO-ZETCQYMHSA-N	302.282	2.126	10	1	DECF	biogenic
O=C1OC[C@H](Cc2cccc(O)c2O)[C@@H]1Cc1cccc(O)c1	2356310809	NHWWOCIDXQDDJV-ZFWWWQNUSA-N	314.337	2.378	10	1	DECF	
COc1cc(O)c2c(=O)c3cc(O)c(O)c(OC)c3oc2c1	14649022	YMWRHUWNNOOQLF-UHFFFAOYSA-N	304.254	2.080	10	1	DECF	biogenic
CCOC(=O)c1cn[nH]c1/N=[N+](/[O-])c1cc([N+](=O)[O-])ccc1O	40420903	KFEPCBZNOFGPMT-FOCLMDBBSA-N	321.249	2.126	10	1	DECF	
C[C@H](Cc1ccc(O)c(O)c1)N[C@@H]1Cc2ccc(O)c(O)c2C1	29059221	UJZZCKKTGGVANC-ZWNOBZJWSA-N	315.369	2.197	10	1	DECF	
C[C@H]1CCC(=O)OC[C@@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356793727	HNHPTZHAIBEYPE-AAEUAGOBSA-N	320.341	2.386	10	1	DECF	
COc1ccc(C=CC(=O)NCCc2ccc(O)c(O)c2)cc1	2356415486	MLKAIKGTPHYWOJ-UHFFFAOYSA-N	313.353	2.479	10	1	DECF	
O=C(CCc1ccc(O)c(O)c1)NCCc1ccc(O)cc1	14502734	RIYORZPRGANLCW-UHFFFAOYSA-N	301.342	2.095	10	1	DECF	biogenic
C[C@@H](Cc1ccc(O)c(O)c1)N[C@@H]1Cc2ccc(O)c(O)c2C1	29059215	UJZZCKKTGGVANC-GXFFZTMASA-N	315.369	2.197	10	1	DECF	
Cc1cccc(-c2nnc(CN3C(=O)CSC3=S)o2)c1	103265634	UQBJJHPQHYLNRO-UHFFFAOYSA-N	305.384	2.405	10	1	DECF	
COc1c(-c2ccc(O)c(O)c2)oc2c(O)c(O)ccc2c1=O	14644614	WGIWCQHSJILTOY-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1cc([C@H]2CC(=O)Oc3c2ccc(O)c3O)ccc1O	1911581700	WIMGVDLHIAPOJO-SNVBAGLBSA-N	302.282	2.253	10	1	DECF	
CN(CCO)c1ccc(-c2nc3cc4[nH]c(O)nc4cc3[nH]2)cc1	587192798	DGDBYZDUZVMHCV-UHFFFAOYSA-N	323.356	2.240	10	1	DECF	
COc1c2c(cc3c1C(=O)c1c(O)cccc1C3=O)C[C@H](O)CC2	6483462	XVJWWBRQLNXKLY-SNVBAGLBSA-N	324.332	2.026	10	1	DECF	
C[C@H](O)Cn1c([N+](=O)[O-])cnc1/C=C/c1ccccc1[N+](=O)[O-]	96929071	CKQRUGDZZJYJAU-FGEFZZPRSA-N	318.289	2.251	10	1	DECF	
CC[C@@H]1C(=O)NN=C(c2ccc(N)cc2)c2cc3c(cc21)OCO3	29124397	KUSZVITVGOCRJK-LBPRGKRZSA-N	323.352	2.373	10	1	DECF	
C[C@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCOCC1	1857767948	PLWOCWBCOPWVDG-LLVKDONJSA-N	311.337	2.448	10	1	DECF	
Cc1nnsc1C1=NNC(=O)/C1=C\c1cn(C)c2ccccc12	28954926	VVGVKIOAKXRIHZ-GHXNOFRVSA-N	323.381	2.256	10	1	DECF	
COc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@@H](O)C2	14642988	PCXUCZXALRCETF-YOEHRIQHSA-N	318.325	2.152	10	1	DECF	biogenic
COc1ccc(C[C@@H]2C(=O)C(=O)[C@H]2NCCC(C)(C)C)cc1	28474314	XSHSAWVDZIHHRQ-GJZGRUSLSA-N	303.402	2.400	10	1	DECF	
Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c(F)cccc21	36338797	LUJLYHZANVLNIU-XFFZJAGNSA-N	321.315	2.025	10	1	DECF	
Cc1ccc(-c2nnc(CN3C(=O)CSC3=S)o2)cc1	103265641	BUSOXDAWZJXTNF-UHFFFAOYSA-N	305.384	2.405	10	1	DECF	
COc1cc(C)cc([C@@H]2NC(=O)c3c(OC)cc(O)cc32)c1O	2356768957	YGJCXQFOBXGSDS-OAHLLOKOSA-N	315.325	2.256	10	1	DECF	
O=c1cc(CNCc2ccc(O)cc2)oc2ccc(O)c(O)c12	71411029	HQSLACZDECKCMJ-UHFFFAOYSA-N	313.309	2.200	10	1	DECF	
COc1c(O)c(O)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc12	40919160	PEOZKVMXPVPVBH-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	
COc1ccc2c(c1OC)C(=O)c1oc(C(C)=O)cc1C2=O	13306600	KVXCWSDWGOWJSF-UHFFFAOYSA-N	300.266	2.275	10	1	DECF	biogenic
CN1C(=O)/C(=C/Nc2cccc3ccccc23)C(=O)NC1=S	1772625458	RGMFDFIKGQTFFC-FMIVXFBMSA-N	311.366	2.009	10	1	DECF	
O=C(O)c1c(-c2c(O)cc(O)cc2O)oc2cc(O)c(O)cc12	14615651	OYMZVRJQIIYPTP-UHFFFAOYSA-N	318.237	2.326	10	1	DECF	biogenic
CO[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	14728139	OUULKVZKMGWNNK-HZPDHXFCSA-N	302.282	2.135	10	1	DECF	biogenic
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2CCO[C@H]2O1	14828626	UBZLJWZWSDCTKZ-ASCAZGACSA-N	324.288	2.096	10	1	DECF	biogenic
COc1ccc(OC)c2c1C(=O)c1ccc(C(=O)O)cc1C2=O	3810506	GKTYFTLQOWTUFY-UHFFFAOYSA-N	312.277	2.177	10	1	DECF	
O=C(O)c1cn(Cc2ccc(O)c(O)c2)c2ccccc2c1=O	1911586299	NPTSZRQFPQUMMM-UHFFFAOYSA-N	311.293	2.159	10	1	DECF	
CO[C@@H]1CC=C2CCCN3C(=O)c4cc(O)c(O)cc4C[C@]23C1	13405234	WXHIBTLDYRFPKW-ACJLOTCBSA-N	315.369	2.364	10	1	DECF	biogenic
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(F)ccc1F	43075372	KUAURVQVGCLXAC-UHFFFAOYSA-N	305.236	2.172	10	1	DECF	
Cc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1O	40834595	YAVCANMPDRWCLC-UHFFFAOYSA-N	322.368	2.270	10	1	DECF	
COc1ccc2c(c1OC)C(=O)c1oc([C@@H](C)O)cc1C2=O	13306612	PMZOFUIYYIIGJO-SSDOTTSWSA-N	302.282	2.126	10	1	DECF	biogenic
Cc1cc2c(cc1O)[C@H](c1cccc(F)c1O)N[C@H](C(=O)O)C2	963474944	XVQOOPYWLBLUFY-ZFWWWQNUSA-N	317.316	2.234	10	1	DECF	
C[C@@H](CCCCCC(=O)O)NC[C@H](O)c1ccc(O)c(O)c1	27557831	XECSIJTYTZDVGO-NHYWBVRUSA-N	311.378	2.144	10	1	DECF	
N=C(NO)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1	45336042	WFEDBRCBFUWORO-CQSZACIVSA-N	312.329	2.162	10	1	DECF	
COc1ccc(OC)c2c1C(=O)[C@@H]1C[C@]1(Br)C2=O	1617916	JBWKGXGTUYAQNA-DAZKTRTLSA-N	311.131	2.236	10	1	DECF	
O=S(=O)(/C=C/c1ccc(O)c(O)c1)NCCc1ccccc1	96917376	YYXFMSNAQMMMDW-PKNBQFBNSA-N	319.382	2.231	10	1	DECF	
COc1c(O)cc2oc3ccc(O)c(O)c3c(=O)c2c1OC	143468905	PRYBSIGSJBIQKA-UHFFFAOYSA-N	304.254	2.080	10	1	DECF	
COCC1=C(OC)[C@H]2C(=O)c3ccccc3C(=O)[C@H]2C=C1O	2356713928	WUMJGALCHPNHQD-SMDDNHRTSA-N	300.310	2.300	10	1	DECF	
Nc1ccc(C2=NNC(=S)Cc3cc4c(cc32)OCO4)cc1	24167	LAHWWBYSCZERON-UHFFFAOYSA-N	311.366	2.223	10	1	DECF	
COc1ccc2c(c1)O[C@H]1c3cc(O)c(O)cc3CO[C@H]1[C@H]2O	14638421	ITTMSOHPADBFBP-ULQDDVLXSA-N	316.309	2.172	10	1	DECF	biogenic,in-vitro
COc1cc(O)c(C(=O)Cc2ccc(O)c(O)c2)cc1OC	64560457	IYTNMWAJZCJYEJ-UHFFFAOYSA-N	304.298	2.246	10	1	DECF	
COC1=C(O)[C@H](O)C=C2O[C@@H](c3ccc(O)c(O)c3)C=C[C@@H]21	2356854262	RNECSZXMEHHZMV-ZWKOPEQDSA-N	304.298	2.016	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1cc(F)c(F)cc1F	43009070	KCGXGCQJUYUMSK-UHFFFAOYSA-N	323.226	2.311	10	1	DECF	
COc1cc(O)cc2c1C(=O)[C@H](Cc1ccc(O)c(O)c1)CO2	13481885	MEVZQUMOUGNZRF-SNVBAGLBSA-N	316.309	2.246	10	1	DECF	endogenous,in-man
C[C@@H](Nc1c(Nc2ccncc2)c(=O)c1=O)c1ccccc1O	100081563	QFVMABQAPDBPMA-SNVBAGLBSA-N	309.325	2.300	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)c1ccc(OC)c(O)c1C2=O	14725239	MCQJOJXMLIXJGB-UHFFFAOYSA-N	314.293	2.193	10	1	DECF	biogenic
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)cc1O)O2	587404167	OMJXPBTXNJMGNT-HNNXBMFYSA-N	301.298	2.401	10	1	DECF	
COc1c2c(c(OC)c3c1C(=O)c1ccccc1C3=O)OCO2	14725205	UECQNAWZQLRCME-UHFFFAOYSA-N	312.277	2.208	10	1	DECF	biogenic
O=C(O)c1cccc([C@H]2NCCc3c(C(=O)O)cccc32)c1O	963135163	XGEAFLZCFMSLJB-AWEZNQCLSA-N	313.309	2.024	10	1	DECF	
C[C@]12C[C@@H](O)[C@H]3[C@@H](CC[C@@H]4C(=O)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O	169684389	XHDFWRAKNUDZSD-FUPRIHAASA-N	320.429	2.109	10	1	DECF	
Oc1ccc(-c2nnnn2-c2nc3ccccc3s2)cc1O	1857607374	BRRXJTXUMARURX-UHFFFAOYSA-N	311.326	2.350	10	1	DECF	
COc1cc2c(c(C)c1C(=O)O)C(=O)c1c(O)cccc1C2=O	13334448	QYKOMVRHNZHDBN-UHFFFAOYSA-N	312.277	2.183	10	1	DECF	endogenous,in-man
COc1cccc2c1C(=O)c1c(ccc(C[C@@H]3CO3)c1O)C2=O	13454757	BIDNXOUISFSLGP-SNVBAGLBSA-N	310.305	2.118	10	1	DECF	
O=C(COc1ccccc1F)c1cc(O)c(O)c([N+](=O)[O-])c1	13585699	NMBLHZUYFBTOQU-UHFFFAOYSA-N	307.233	2.407	10	1	DECF	
O=C(C=Cc1ccc(O)c(O)c1)Nc1ccc(O)cc1C(=O)O	2356737284	IDUUXROOZBOOPH-UHFFFAOYSA-N	315.281	2.154	10	1	DECF	
CO[C@@H]1C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1	14728141	OUULKVZKMGWNNK-JKSUJKDBSA-N	302.282	2.135	10	1	DECF	biogenic
CC(=O)O[C@H]1CC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](N=[N+]=[N-])C1	13558392	LFLXGHWVFJOKPD-BZPMIXESSA-N	317.301	2.186	10	1	DECF	
Cc1ccc(O)c([C@H]2C(=O)NC(=O)N2c2ccc3[nH]cnc3c2)c1	113894584	NTNRIUAFBHODRG-HNNXBMFYSA-N	322.324	2.374	10	1	DECF	
O=C1c2ccc(CN3CCCCC3)cc2C(=O)c2nccnc21	28239008	GRSVVOGEOLLQCO-UHFFFAOYSA-N	307.353	2.238	10	1	DECF	
Nc1ccc(N=Nc2cc(S(=O)(=O)O)ccc2O)c(N)c1	2356826306	HINBYJWOYICUDB-UHFFFAOYSA-N	308.319	2.219	10	1	DECF	
Nc1ccc(Cn2cnc([C@H]3NC(=O)c4ccccc4N3)c2)cc1	1857759198	YVILXZFPNCVOBV-QGZVFWFLSA-N	319.368	2.368	10	1	DECF	
O=C(c1ccc(O)c(O)c1)n1ncc2ccc(Cl)cc2c1=O	587652390	QQTQITYBFVBOQB-UHFFFAOYSA-N	316.700	2.150	10	1	DECF	
COc1cc([C@H]2CC(=O)c3c(O)cc(O)cc3O2)cc(O)c1O	2356559210	AIWJWHYSKZHQND-GFCCVEGCSA-N	318.281	2.224	10	1	DECF	
COc1cc(O)c(O)cc1-c1coc2cc(O)cc(O)c2c1=O	95099481	DIABWADIZQBKGQ-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic,in-vitro
CC(=O)c1c(C)cc2c(c1O)C(=O)c1c(O)cc(O)cc1C2=O	13307165	OJBWMXFOIJKIJP-UHFFFAOYSA-N	312.277	2.090	10	1	DECF	biogenic
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@H]2CO	6072090	OUFIJYAHFBAFBX-STQMWFEESA-N	312.321	2.017	10	1	DECF	biogenic
COc1ccc(OC)c2c1C(=O)[C@@H]1C[C@@]1(Br)C2=O	1617915	JBWKGXGTUYAQNA-IYQDAUBNSA-N	311.131	2.236	10	1	DECF	
COc1ccc([C@H]2Oc3cc(O)ccc3C(=O)C2=O)cc1OC	957811081	QRXUFZGERZFQFM-QGZVFWFLSA-N	314.293	2.295	10	1	DECF	
COc1cc2c(c(OC)c1O)C(=O)c1ccc(C)c(O)c1C2=O	14760775	IEZBRJAWYVAYOT-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	biogenic
O=[N+]([O-])c1cc(C[C@@H]2NCCc3cc(O)c(O)cc32)ccc1O	11422318	XIMNZXWVJOZOQW-LBPRGKRZSA-N	316.313	2.141	10	1	DECF	
COc1cc2c(c(OC)c1C(=O)O)C(=O)c1ccccc1C2=O	13481220	AMASNOYUTARFHX-UHFFFAOYSA-N	312.277	2.177	10	1	DECF	biogenic
Cc1ccc(C)n1-c1ccccc1C(=O)NS(=O)(=O)C1CC1	219903138	XSWOUEHXBWLMOQ-UHFFFAOYSA-N	318.398	2.316	10	1	DECF	
COc1ccccc1-n1nnc2c1C(=O)c1ccccc1C2=O	1911573321	PVBXEQACXLZKQF-UHFFFAOYSA-N	305.293	2.051	10	1	DECF	
CC(C)OC(=O)c1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O	5114462	KQBPPKIWYDVYHG-UHFFFAOYSA-N	324.336	2.192	10	1	DECF	
COc1cc(/C=C\c2nc3ccc(C(=N)N)cc3[nH]2)cc(O)c1O	587786338	SNMQKDFZIJXFAD-DJWKRKHSSA-N	324.340	2.437	10	1	DECF	
CN1C(=O)/C(=C/Nc2ccc3ccccc3c2)C(=O)NC1=S	1772570891	OGWZBYGVGBVYPX-UKTHLTGXSA-N	311.366	2.009	10	1	DECF	
CC[C@@H](C)c1ccc2[nH]c(C=[N+]=[N-])c(C[C@H](N)C(=O)O)c2c1	587642979	QNLQQAFEYQSIBY-RNCFNFMXSA-N	300.362	2.285	10	1	DECF	
O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/[C@H]3CCS(=O)(=O)C3)c2c1	101739033	MMROEZHDSWTHAH-BZSVUZHVSA-N	324.318	2.053	10	1	DECF	
O=C(O)[C@H]1Nc2c(cccc2N2CCOCC2)[C@H]2C=CC[C@H]12	62241726	BUBNBCQHMMYXBQ-FFSVYQOJSA-N	300.358	2.062	10	1	DECF	
COc1cc2c(c(O)c1C)C(=O)c1c(ccc(OC)c1O)C2=O	206479589	LWWWNDVDXAKGAI-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
O=C(NO)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1	73169610	KFBWSDJVPXJVAM-AWEZNQCLSA-N	313.313	2.348	10	1	DECF	
CC(=O)Oc1cc(O)cc2c1C(=O)c1c(O)cc(C)cc1C2=O	40873418	AXXGOVVXDCDKQJ-UHFFFAOYSA-N	312.277	2.107	10	1	DECF	
CN1c2ccn(C)c2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@H]21	473089913	MUCRARBANLISEC-KRWDZBQOSA-N	322.368	2.359	10	1	DECF	
Cc1ccc([C@H]2CC(=O)NC(NC(=O)c3ccccc3)=N2)cc1	6868712	SYNQFOKNCVZYGQ-OAHLLOKOSA-N	307.353	2.342	10	1	DECF	
CN(Cc1ccc(N2CCCC2)cc1)C(=O)C=C1CCN(C#N)C1	1857583760	PKDVVBWNBMWWKW-UHFFFAOYSA-N	324.428	2.358	10	1	DECF	
Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(O)c(O)c(O)c1)O2	587402808	CNLZODVVJGAKJR-AWEZNQCLSA-N	301.298	2.401	10	1	DECF	
CC(=O)N1N=C(c2ccncc2)O[C@@H]1c1ccc(N(C)C)cc1	72177188	YGPPSAUHSFEDIX-QGZVFWFLSA-N	310.357	2.387	10	1	DECF	
O=C1OC(c2ccc(O)c(O)c2)=C/C1=C\c1ccc(O)c(O)c1	17041	TZBZGNPXKXHFKI-VZUCSPMQSA-N	312.277	2.490	10	1	DECF	in-vitro
CCCCC(=O)NS(=O)(=O)c1ccc(/N=N\N(C)C)cc1	101428506	VWHDBTQMWUGSBH-PEZBUJJGSA-N	312.395	2.242	10	1	DECF	
CC(=O)c1cccc(N/C=C2\C(=O)N=C3C=C(C)C=CN3C2=O)c1	103277331	CSWFKDXKOQTPCN-XNTDXEJSSA-N	321.336	2.426	10	1	DECF	
O=[N+]([O-])c1ccc(O/N=[N+](\[O-])N2CCCCC2)c([N+](=O)[O-])c1	29127395	GWAUBFAYFMBEMP-VBKFSLOCSA-N	311.254	2.160	10	1	DECF	
O=C1c2c(O)cccc2C(=O)c2c1c(C(=O)O)c1ccccn21	1857651146	AMFANKIYIPCCGV-UHFFFAOYSA-N	307.261	2.119	10	1	DECF	
Cc1ccc(O)c([C@@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1	963525461	MQXVPBWVAJFBQA-WMLDXEAASA-N	313.353	2.403	10	1	DECF	
O=[N+]([O-])c1cc(C[C@H]2NCCc3cc(O)c(O)cc32)ccc1O	13760859	XIMNZXWVJOZOQW-GFCCVEGCSA-N	316.313	2.141	10	1	DECF	
COc1c(O)c(O)cc2oc(-c3ccc(O)cc3)c(O)c(=O)c12	14760665	RDGLQEGHDXGATK-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
CC(=O)C(=O)[C@]1(C)CC[C@@H]2CC(=O)CC[C@]2(C)[C@H]1CC(=O)O	2356479380	NOONIMVJSKMYOV-HQQPKKBNSA-N	308.374	2.411	10	1	DECF	
O=C(O)c1cc(O)c(O)cc1-c1cc2ccc(O)cc2oc1=O	169309745	IKNNINXPFNRPTO-UHFFFAOYSA-N	314.249	2.275	10	1	DECF	
CCC(=O)c1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O	14819819	KUZUTAHZOJAQQT-UHFFFAOYSA-N	312.277	2.172	10	1	DECF	biogenic
O=C(CNC(=O)c1ccccn1)/N=N\c1c(O)[nH]c2ccccc12	15880082	LFXNGJDQGCTVMI-MRCUWXFGSA-N	323.312	2.309	10	1	DECF	
COc1ccc([C@@H]2CC(=O)c3c(O)cc(O)c(O)c3O2)cc1O	34052707	IAFSGFVZGVPMIR-ZDUSSCGKSA-N	318.281	2.224	10	1	DECF	
COc1c(O)cc2c(c1O)C(=O)c1ccc(C)c(OC)c1C2=O	85636862	VWFDBJAEKUQNOC-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
O=C(O)c1cc(O)c(O)cc1-c1cc2cccc(O)c2oc1=O	169309744	CWXJHYBSBFYICC-UHFFFAOYSA-N	314.249	2.275	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@H]1C=C(C)O[C@H](OC)[C@H]1C2=O	195421525	LTEMXFQHSPJXMG-IXBGWNDUSA-N	318.325	2.222	10	1	DECF	
O=C1c2n[nH]c(-c3ccc(O)cc3)c2C2=NCCc3c[nH]c1c32	13687147	JRVADSNKCFLGOY-UHFFFAOYSA-N	304.309	2.048	10	1	DECF	
CC(=O)NS(=O)(=O)c1ccc(/N=N\N2CCCCCC2)cc1	101393448	QIORWLRIECTVGV-ICFOKQHNSA-N	324.406	2.386	10	1	DECF	
COc1ccc2c(c1)C(=O)[C@@H](Cc1cc(O)cc(O)c1O)CO2	1857645902	XXDHQSSDAOGNAJ-JTQLQIEISA-N	316.309	2.246	10	1	DECF	
Cc1nc(Br)cn1CC(=O)c1ccc(O)c(O)c1	45356780	YTTRNYCSCOUYMS-UHFFFAOYSA-N	311.135	2.248	10	1	DECF	
O=C1c2[nH]cc3c2C(=NCC3)c2n[nH]c(-c3ccc(O)cc3)c21	13687174	OZISHNLYLZJVSG-UHFFFAOYSA-N	304.309	2.048	10	1	DECF	
CCOC(=O)[C@H](CC(C)C)NC(=O)/C=C/c1ccc(O)c(O)c1	1857618996	FADSYJBYJILDDT-CFNZNRNTSA-N	321.373	2.205	10	1	DECF	
CC(=O)c1c2c(n3cccc(O)c13)C(=O)c1cccnc1C2=O	40974257	CKBGCRFMEFCSRT-UHFFFAOYSA-N	306.277	2.018	10	1	DECF	
O=c1c(-c2cccc(O)c2O)coc2cc3c(c(O)c12)OCO3	149610875	HMGKMKCGGPSESV-UHFFFAOYSA-N	314.249	2.306	10	1	DECF	
Oc1ccc([C@@H]2Oc3cc(O)c(Cl)c(O)c3C[C@@H]2O)cc1O	14642762	BHTBHJNGFQRAJI-NHYWBVRUSA-N	324.716	2.200	10	1	DECF	endogenous,in-man
Cc1cnc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc2c1	586949049	YCGVWWZXZGOMIT-UHFFFAOYSA-N	318.358	2.010	10	1	DECF	
C[C@@H]1CCC[C@H](C[C@@H]2Cc3c(O)c(O)cc(O)c3C(=O)O2)O1	2356324966	VJAXQPIMLAFBFH-OPRDCNLKSA-N	308.330	2.233	10	1	DECF	
C[C@@H]1CCC(=O)OC[C@H](OC(=O)C=Cc2ccc(O)c(O)c2)C1	2356793728	HNHPTZHAIBEYPE-DGCLKSJQSA-N	320.341	2.386	10	1	DECF	
COc1cc(OC)c2c(c1)O[C@@H](c1ccc(O)c(O)c1)[C@H](O)C2	14642985	PCXUCZXALRCETF-PBHICJAKSA-N	318.325	2.152	10	1	DECF	biogenic
O=C(O)[C@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@@H]12	5589296	SLERUHSLMRNVML-KFNAQCHYSA-N	312.369	2.461	10	1	DECF	
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(O)c3)C2=O)cc1	1857766739	OMNOSRRMISICIS-UHFFFAOYSA-N	322.320	2.367	10	1	DECF	
COc1cccc2c1C(=O)c1c(OC)cc(C(=O)O)cc1C2=O	27903010	YDGGLCBSMFIEFV-UHFFFAOYSA-N	312.277	2.177	10	1	DECF	
O=C1CC(=O)C(=O)C(c2c[nH]c3c2ccc2ccccc23)C1=O	169717678	QTIABKBZJLFFOP-UHFFFAOYSA-N	305.289	2.085	10	1	DECF	
O=C1c2oc3cc(O)cc(O)c3c2C(=O)c2c(O)ccc(O)c21	13652339	GUOUXJKQFFBZSL-UHFFFAOYSA-N	312.233	2.031	10	1	DECF	
CO[C@H]1Cc2cc(O)c(O)cc2O[C@@H]1c1ccc(O)c(O)c1	38192470	QDRVVEMAZQEUKQ-JKSUJKDBSA-N	304.298	2.200	10	1	DECF	
COC(=O)c1ccc(N)c(-c2ccc3c(n2)C(=O)C(=N)C=C3O)c1	29565029	JNBNIIPHPYXRKW-UHFFFAOYSA-N	323.308	2.232	10	1	DECF	
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)c(F)c1	42923084	UGTRSOVFRMFZKM-UHFFFAOYSA-N	305.236	2.172	10	1	DECF	
COC1=C(O)[C@H](O)C=C2O[C@H](c3ccc(O)c(O)c3)C=C[C@@H]21	2356854259	RNECSZXMEHHZMV-BIMULSAOSA-N	304.298	2.016	10	1	DECF	
COc1cc2c(c(O)c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2	238747985	WYOZGBMNTWCNDD-SNVBAGLBSA-N	316.309	2.246	10	1	DECF	
O=C(O)c1cccc([C@@H]2NCCc3c(C(=O)O)cccc32)c1O	963135164	XGEAFLZCFMSLJB-CQSZACIVSA-N	313.309	2.024	10	1	DECF	
O=C(O)[C@@H]1Nc2c(cccc2N2CCOCC2)[C@@H]2C=CC[C@@H]12	195437889	BUBNBCQHMMYXBQ-NORZTCDRSA-N	300.358	2.062	10	1	DECF	
COc1cc(O)c2c(c1)-c1c(cc(OC)c(O)c1O)COC2=O	15263536	GKWRUJYKMWQUML-UHFFFAOYSA-N	318.281	2.158	10	1	DECF	biogenic
C[C@@H]1CCC[C@@H](C[C@H]2Cc3c(O)c(O)cc(O)c3C(=O)O2)O1	2356324971	VJAXQPIMLAFBFH-UTLUCORTSA-N	308.330	2.233	10	1	DECF	
NC(=S)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(O)cc1	40424254	PCKXOBFTBPFENG-CQSZACIVSA-N	313.382	2.493	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2C=CO[C@@H]2O1	6093807	QLPXJOSOFOPAMO-NTCNTBNZSA-N	322.272	2.219	10	1	DECF	biogenic
C[C@@H](c1cc2c(o1)C(=O)c1ccccc1C2=O)N1CCN(C)CC1	1857652194	JUFRVGGFBXPCOS-LBPRGKRZSA-N	324.380	2.363	10	1	DECF	
O=c1oc2cc(O)c(O)cc2cc1Cc1ccc(O)c(O)c1	238762751	SYZWBXUQWCQGNT-UHFFFAOYSA-N	300.266	2.206	10	1	DECF	
COc1ccc(C[C@@H]2Cc3c(ccc(O)c3O)[C@H](CN)O2)cc1	13823807	XSPPZAPYKHJYHP-DYVFJYSZSA-N	315.369	2.290	10	1	DECF	
COc1cc(O)c(C(=O)C(=O)c2ccccc2)c(OC)c1OC	200009299	YJTKWZNFYTXAMB-UHFFFAOYSA-N	316.309	2.484	10	1	DECF	
Oc1ccc(CCN[C@@H]2CCc3cc(O)c(O)cc3C2)cc1O	27900867	ADAIAMAHTNLSLY-CQSZACIVSA-N	315.369	2.199	10	1	DECF	
Oc1ccc2c(c1O)O[C@@H]1c3ccc4c(c3OC[C@@H]21)OCO4	2356409189	BHEWGLSSFZGDOE-TVQRCGJNSA-N	300.266	2.436	10	1	DECF	
COc1ccc([C@@H]2COc3cc(O)ccc3C2=O)c(O)c1O	14758823	DIBYNSQDXNQPSM-NSHDSACASA-N	302.282	2.171	10	1	DECF	biogenic
CC(=O)Nc1cc(O)c(O)c(C(=O)NCc2ccc(F)cc2)c1	72105564	SCSNDPNNHFAYII-UHFFFAOYSA-N	318.304	2.125	10	1	DECF	
CCOC(=O)c1c(O)cc2c(c1O)C(=O)c1ccccc1C2=O	13481217	PGBLLBBQEDRQID-UHFFFAOYSA-N	312.277	2.050	10	1	DECF	biogenic
COc1cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2cc1O	14644608	DZMMKNCBWCZLDC-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1ccc(C[C@H]2Cc3c(ccc(O)c3O)[C@H](CN)O2)cc1	26576269	XSPPZAPYKHJYHP-GUYCJALGSA-N	315.369	2.290	10	1	DECF	
Nc1ccc2c3c(n(CCCO)c(=O)c2c1)-c1ccccc1C3=O	95552613	QULVXENPAVDXSB-UHFFFAOYSA-N	320.348	2.178	10	1	DECF	
C[C@H](C[C@H]1CC=CC(=O)O1)OC(=O)CCc1ccc(O)c(O)c1	14720481	DEJPAJWPCTUPPL-DGCLKSJQSA-N	320.341	2.224	10	1	DECF	biogenic
COC(=O)c1cnn2c(O)c(Cc3ccc(F)cc3)c(C)nc12	8575364	LEEYVFIXHZJQQA-UHFFFAOYSA-N	315.304	2.260	10	1	DECF	
O=C1OC[C@H](Cc2cccc(O)c2)[C@@H]1Cc1cccc(O)c1O	2356767261	XZCLFXNAFVVPJG-ZFWWWQNUSA-N	314.337	2.378	10	1	DECF	
Oc1cc2c(cc1[C@H]1COc3c(ccc(O)c3O)C1)OCO2	40407614	YHXYUISAVRRVIL-SECBINFHSA-N	302.282	2.251	10	1	DECF	
O=C(/C=C\c1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1	95919015	CCHKZGVRIOKSEE-UTCJRWHESA-N	316.309	2.308	10	1	DECF	biogenic,in-vitro
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(F)ccc12	84655554	IDVOSPKYVIGGPS-UHFFFAOYSA-N	304.229	2.422	10	1	DECF	
O=c1cc(CNCc2cccc(O)c2)oc2ccc(O)c(O)c12	71340536	SFGMYAHKUDPVRH-UHFFFAOYSA-N	313.309	2.200	10	1	DECF	
COc1cc(OC)c2c(c1)C(=O)[C@H]1C=C(C)O[C@@H](OC)[C@H]1C2=O	102070532	LTEMXFQHSPJXMG-NCAQKEMTSA-N	318.325	2.222	10	1	DECF	
Oc1ccc2c(c1O)OC[C@H]1c3cc4c(cc3O[C@@H]21)OCO4	14763401	GGIPOZCJJKKBBV-VFZGTOFNSA-N	300.266	2.436	10	1	DECF	biogenic
CN(C)CCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	72176245	QDTLZWKQGGAWMR-XFXZXTDPSA-N	308.428	2.155	10	1	DECF	
COc1cccc(O)c1[C@H]1N[C@H](C(=O)O)Cc2cc(F)ccc21	962899214	QPGYGRCQJPNAND-LRDDRELGSA-N	317.316	2.228	10	1	DECF	
O=C1NC(=S)NC(=O)C1=C/C=C/c1cccc2ccccc12	1857636097	GJNFROAPKWKRER-XBXARRHUSA-N	308.362	2.310	10	1	DECF	
COc1ccc(N2CC[C@@H](N)[C@@H](c3ccccn3)C2)cc1OC	28821832	BXQOXJQZJVWZOG-LSDHHAIUSA-N	313.401	2.420	10	1	DECF	
COc1ccc(C[C@H]2C(=O)C(=O)[C@H]2NCCC(C)(C)C)cc1	28474311	XSHSAWVDZIHHRQ-CABCVRRESA-N	303.402	2.400	10	1	DECF	
CN1c2ccn(C)c2C(=O)N2CCc3c([nH]c4ccc(O)cc34)[C@@H]21	473089914	MUCRARBANLISEC-QGZVFWFLSA-N	322.368	2.359	10	1	DECF	
N=C(NO)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1O	49763024	KHBNTJSDDOWUHZ-CYBMUJFWSA-N	312.329	2.162	10	1	DECF	
O=C1C[C@H](c2cccc(O)c2O)Oc2cc3c(c(O)c21)OCO3	14643336	KGKAAUBCGDPTDT-SNVBAGLBSA-N	316.265	2.239	10	1	DECF	biogenic
Oc1cc2c(cc1O)[C@@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4	14763354	QNMYAYDPWHAXCP-ABKXIKBNSA-N	300.266	2.436	10	1	DECF	biogenic
CC1(C)OC(=O)C(=Cc2c[nH]c3ccc([N+](=O)[O-])cc23)C(=O)O1	96929599	HSTGNOVFTYNSCA-UHFFFAOYSA-N	316.269	2.296	10	1	DECF	
O=C(Nc1n[nH]c2nc(-c3ccc(O)c(O)c3)ccc12)C1CC1	13538534	KUDIRKNAQFWKAI-UHFFFAOYSA-N	310.313	2.385	10	1	DECF	
CCN1C(=O)S/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)C1=O	653876686	RFQWFOYXIFPCHK-WEVVVXLNSA-N	310.287	2.062	10	1	DECF	
O=C(O)[C@H]1Nc2c(O)cc(Cl)c([N+](=O)[O-])c2[C@H]2C=CC[C@@H]12	13144945	WGUAPOVFDKLQGB-ZTNVNUCQSA-N	310.693	2.492	10	1	DECF	
CCc1cc(C)cc(CC)c1[C@H]1C(=O)N2CO[C@@H](C)CN2C1=O	103183047	JNKNQKNJFOCEND-BLLLJJGKSA-N	316.401	2.165	10	1	DECF	
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@@H]2CO	6072092	OUFIJYAHFBAFBX-CHWSQXEVSA-N	312.321	2.017	10	1	DECF	biogenic
Cc1ccc2c(c1)c(/C=C1\C(=O)NN=C1c1cnns1)cn2C	28955012	CRSNPMQYYRHGKV-SDQBBNPISA-N	323.381	2.256	10	1	DECF	
C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cccc(O)c3O)CCN12	26266022	CTMZLUJLBFRESF-FRRDWIJNSA-N	304.390	2.233	10	1	DECF	
O=C1OC[C@H](Cc2ccc(O)c(O)c2)[C@@H]1Cc1cccc(O)c1	2356330600	MJMVFOFWTGVQBW-ZFWWWQNUSA-N	314.337	2.378	10	1	DECF	
COc1ccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)cc1	40864254	GTCMWECCHJOPLO-UHFFFAOYSA-N	315.297	2.480	10	1	DECF	
CCOCc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O	200559534	BNQYBSMUHWRJPQ-UHFFFAOYSA-N	314.293	2.115	10	1	DECF	
O=C(C=Cc1ccc(O)c(O)c1)Oc1ccc(C(=O)O)cc1O	2356723219	BMDBIOFBSSWKCK-UHFFFAOYSA-N	316.265	2.120	10	1	DECF	
CO[C@H]1CC=C2CCCN3C(=O)c4cc(O)c(O)cc4C[C@@]23C1	13405230	WXHIBTLDYRFPKW-SCLBCKFNSA-N	315.369	2.364	10	1	DECF	biogenic
CC(=O)N1N=C(c2ccncc2)O[C@H]1c1ccc(N(C)C)cc1	72177187	YGPPSAUHSFEDIX-KRWDZBQOSA-N	310.357	2.387	10	1	DECF	
O=C(NCc1ccc(O)c(O)c1)C(=O)c1c[nH]c2ccccc12	13760667	QCMQLUNTDWCTCG-UHFFFAOYSA-N	310.309	2.078	10	1	DECF	
CN(Cc1ccccc1)c1ccc2c(c1)CN1CC(=O)NC1=N2	29205426	JSXMBGVPKSJTGI-UHFFFAOYSA-N	306.369	2.256	10	1	DECF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccccc3[nH]2)c1	586948259	MNMQUYJBIVEZAN-UHFFFAOYSA-N	303.343	2.307	10	1	DECF	
COc1cc2c3c(c1)O[C@H](c1cc(O)c(O)cc1O)[C@@H](C2)C3=O	587448538	DQUVBWZNUSGCCP-DYZYQPBXSA-N	314.293	2.301	10	1	DECF	
CC(=O)c1ccc(N/C=C2\C(=O)N=C3C=C(C)C=CN3C2=O)cc1	103277334	PBEZAWVCESMZTR-XNTDXEJSSA-N	321.336	2.426	10	1	DECF	
O=C1NC(=S)/C(=C/c2ccccc2S(=O)(=O)O)S1	95556346	APGMUJIYCDRJFI-ALCCZGGFSA-N	301.370	2.058	10	1	DECF	
CS(=O)(=O)Nc1ccc(O)c(-c2nc3ccc(F)cc3[nH]2)c1	586949644	XAWBFWHPMKLKFN-UHFFFAOYSA-N	321.333	2.446	10	1	DECF	
COc1cc2[nH]c3c(c2cc1OC)C(=O)c1cnccc1C3=O	1857630052	GZETZQSNQQWTKO-UHFFFAOYSA-N	308.293	2.356	10	1	DECF	
O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(F)cc(F)c2O)N1	962900045	PFOKLMKEEDSNCQ-GXTWGEPZSA-N	323.270	2.498	10	1	DECF	
O=C(Cc1ccccc1C(=O)O)c1cc(O)c(O)c([N+](=O)[O-])c1	27750673	GGDMOMHKLKNQQI-UHFFFAOYSA-N	317.253	2.130	10	1	DECF	
COC(=O)c1cc(O)c(O)c2oc3cc(C)cc(O)c3c(=O)c12	2356804660	ZJIGJNBVELKEQI-UHFFFAOYSA-N	316.265	2.158	10	1	DECF	
O=C1C[C@@H](c2ccc(O)cc2O)N1c1ccc2c(c1)OCCO2	72120053	SJZDBMWGYFFDEU-ZDUSSCGKSA-N	313.309	2.347	10	1	DECF	
OCCc1cc(O)c(O)c(Br)c1Br	13450170	HVSZPOZWYPXFAP-UHFFFAOYSA-N	311.957	2.158	10	1	DECF	biogenic
CCCCOC(=O)CC[C@H]1Cc2ccc(O)c(O)c2C(=O)O1	2356654747	IXGJZYNLMAZBRN-NSHDSACASA-N	308.330	2.303	10	1	DECF	
CN(CCO)c1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1	587193261	WOIIRIYSKDMARQ-UHFFFAOYSA-N	311.341	2.357	10	1	DECF	
CO[C@H]1C(=O)c2ccc(O)cc2O[C@H]1c1ccc(O)c(O)c1	14728140	OUULKVZKMGWNNK-HOTGVXAUSA-N	302.282	2.135	10	1	DECF	biogenic
Nn1cnnc1/N=N/[CH-]c1ccc(-c2ccccc2[N+](=O)[O-])o1	169686943	ROUITNSITSZTDO-BMRADRMJSA-N	312.269	2.454	10	1	DECF	
CCOC(=O)C(=[N+]=[N-])[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21	963100471	BCDJVTSNUJFIEN-CXAGYDPISA-N	317.364	2.295	10	1	DECF	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\N1CCOCC1	34120209	DUKZGUYXVMIXJI-UVTDQMKNSA-N	305.765	2.279	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@H]2C=CO[C@H]2O1	6093809	QLPXJOSOFOPAMO-CVJBHZAOSA-N	322.272	2.219	10	1	DECF	biogenic
CN(C)CCNC(=O)c1ccc2nc3ccccc3c(N)c2c1	5957827	IYBJQHDVCSKJLO-UHFFFAOYSA-N	308.385	2.262	10	1	DECF	
O=c1cc(CNCc2ccccc2O)oc2ccc(O)c(O)c12	71410822	XAAZJZYWKMZNBE-UHFFFAOYSA-N	313.309	2.200	10	1	DECF	
COc1cccc([C@H]2Cc3c(ccc(O)c3O)[C@H](CN)O2)c1	26571642	GKRQKKOXKDSLTJ-CVEARBPZSA-N	301.342	2.420	10	1	DECF	
COC(=O)[C@@]12O[C@]1(CC=C(C)C)C(=O)c1ccccc1C2=O	15194596	KFXPBEAXNBSFIQ-IAGOWNOFSA-N	300.310	2.103	10	1	DECF	biogenic,in-vitro
C[C@@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	33833930	NDKNYUFZUFHDFQ-QZTNRIJFSA-N	302.282	2.462	10	1	DECF	biogenic,in-vitro
COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](O)C2	14642982	PCXUCZXALRCETF-WMLDXEAASA-N	318.325	2.152	10	1	DECF	biogenic
O=C1c2ccc(O)c(O)c2C(=O)N1Cc1ccc(F)c(F)c1F	42924181	VPADTMDTBUKMSD-UHFFFAOYSA-N	323.226	2.311	10	1	DECF	
O=C(O)c1cc(CN2CCCC2)c(O)c(CN2CCCC2)c1	29557474	RSBAOKOGONBVCB-UHFFFAOYSA-N	304.390	2.282	10	1	DECF	
CCOc1ccc(/C=C2\SC(=S)N(CCN)C2=O)cc1	205588230	GYJTUKQKGFMUTI-XFXZXTDPSA-N	308.428	2.245	10	1	DECF	
COC1(Nc2ccc([N+](=O)[O-])cc2)C(=O)c2ccccc2C1=O	1857577904	YUWIYDQYWKEMRI-UHFFFAOYSA-N	312.281	2.429	10	1	DECF	
CCOC(=O)Cn1ccc2c(Oc3ccc(N)cc3)ncnc21	95552172	JJOOYCFEQILVLX-UHFFFAOYSA-N	312.329	2.369	10	1	DECF	
CC(C)(Cc1ccc(O)cc1)NC[C@H](O)c1ccc(O)c(O)c1	26731069	CTXHFGIUMIBAFO-KRWDZBQOSA-N	317.385	2.448	10	1	DECF	in-vitro
O=C1CN2Cc3cc(N4CCCCC4)c(Cl)cc3N=C2N1	29205796	IVAHGUPABWGPFM-UHFFFAOYSA-N	304.781	2.263	10	1	DECF	
CN(CCO)c1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1	587192819	FKXZZYRRUPASAZ-UHFFFAOYSA-N	303.753	2.102	10	1	DECF	
Oc1cc(O)c2c(c1)OCc1c-2ncc2c(O)c(O)c(O)cc12	2356330843	BVSHNESTRQPHDD-UHFFFAOYSA-N	313.265	2.322	10	1	DECF	
COc1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)CC2=O	14643981	DQVNDBVGXKWWNS-ZDUSSCGKSA-N	318.281	2.224	10	1	DECF	biogenic
CC(C)(C)c1cccc2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12	169717676	BQFXRORPQYIOSF-UHFFFAOYSA-N	311.337	2.229	10	1	DECF	
O=C(O)[C@H]1Nc2c(cccc2N2CCOCC2)[C@@H]2C=CC[C@H]12	169299786	BUBNBCQHMMYXBQ-RBOXIYTFSA-N	300.358	2.062	10	1	DECF	
Nc1nc(-c2ccco2)nc2cn(Cc3ccccc3O)nc12	653846529	LFQIONJTAIBNFA-UHFFFAOYSA-N	307.313	2.422	10	1	DECF	
Cc1ccc(C)n1Cc1ccc(-c2nnn(C(=O)N(C)C)n2)cc1	96258084	ZYSLHCQKVJHFIG-UHFFFAOYSA-N	324.388	2.336	10	1	DECF	
COc1cc2c3c(c1)O[C@H](c1ccc(O)c(O)c1O)[C@@H](C2)C3=O	587453269	XVQPWSVZUKALBI-DYZYQPBXSA-N	314.293	2.301	10	1	DECF	
CN1CCN(C2=NC(=O)/C(=C/c3cccc(F)c3)S2)CC1	28287480	AXNKAHSGCQZNIK-RAXLEYEMSA-N	305.378	2.043	10	1	DECF	
COc1ccc([C@@H]2Oc3cc(O)ccc3C(=O)C2=O)cc1OC	957811080	QRXUFZGERZFQFM-KRWDZBQOSA-N	314.293	2.295	10	1	DECF	
COc1cc(-c2cc(=O)c3c(O)cc(O)c(O)c3o2)ccc1O	14760705	KZSRKQQVUFTOHJ-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1	384290	WTFXSFYJHOQTNO-UHFFFAOYSA-N	303.321	2.410	10	1	DECF	
C[C@@]1(c2cc(C(=O)O)ccc2O)NCCc2nc3ccccn3c21	962992129	XZYQNGXQCCDTTM-SFHVURJKSA-N	323.352	2.147	10	1	DECF	
O=c1c2c(oc3cc(O)cc(O)c13)-c1cc(O)c(O)cc1CO2	14725564	WOLQFWZOEYHATG-UHFFFAOYSA-N	314.249	2.175	10	1	DECF	biogenic
O=C1OCC(Cc2ccc(O)c(O)c2)=C1c1cc(O)cc(O)c1	66077463	BMROQCPWMNUZGZ-UHFFFAOYSA-N	314.293	2.062	10	1	DECF	in-vitro
COc1c(-c2ccc(O)c(O)c2)oc2c(O)cc(O)cc2c1=O	238764708	RXHLADDBOLOIJO-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	
[N-]=[N+]=N[C@H]1C[C@H](CO)S[C@H]1n1cnc2c(Cl)ncnc21	6585385	NWBOSDXEMSFRBL-GOZTUDAPSA-N	311.758	2.155	10	1	DECF	
CC(=O)OCOC(=O)c1ccc(-n2c(C)ccc2C)cc1O	219898884	CZVIKPZSIBRTKX-UHFFFAOYSA-N	303.314	2.477	10	1	DECF	
COc1cc(C)cc([C@H]2NC(=O)c3c(OC)cc(O)cc32)c1O	2356768956	YGJCXQFOBXGSDS-HNNXBMFYSA-N	315.325	2.256	10	1	DECF	
COc1ccc2c(c1O)O[C@@H]1c3ccc(O)c(O)c3OC[C@@H]21	2356407392	WPDUKDYMZYNKAB-LKFCYVNXSA-N	302.282	2.422	10	1	DECF	
COc1ccc(N2NC(=O)/C(=C\c3ccccc3OC)C2=O)cc1	40424375	PKIMDDFUWCJIKX-RVDMUPIBSA-N	324.336	2.165	10	1	DECF	
C[C@@H](C[C@@H]1CC=CC(=O)O1)OC(=O)CCc1ccc(O)c(O)c1	14720475	DEJPAJWPCTUPPL-AAEUAGOBSA-N	320.341	2.224	10	1	DECF	biogenic
COc1cc(C)cc2c1C(=O)c1c(cc(O)c(OC)c1O)C2=O	2356384585	LXUNKRJVPHRLFS-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	
CC(C)(C)NC[C@H](O)COc1cc(O)c(O)c2c1CCCC2	169319528	BCIUHQBLEFNVQW-NSHDSACASA-N	309.406	2.104	10	1	DECF	
NC(=S)N1N=C(c2ccccc2O)C[C@H]1c1ccc(O)cc1	29043774	PCKXOBFTBPFENG-AWEZNQCLSA-N	313.382	2.493	10	1	DECF	
O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1ccc(O)c(O)c1	95099109	NFWHNQANQSCHGT-DZGCQCFKSA-N	314.337	2.378	10	1	DECF	endogenous,in-man
COc1cc2c(cc1OC)C(=O)c1c(O)c(C)cc(O)c1C2=O	59064928	DQVJBPZRWJRGJO-UHFFFAOYSA-N	314.293	2.199	10	1	DECF	in-vitro
O=[N+]([O-])c1ccc2[nH]c(O)c(/N=N/[C@@H]3CCS(=O)(=O)C3)c2c1	101739028	MMROEZHDSWTHAH-VWUPPOFCSA-N	324.318	2.053	10	1	DECF	
O=C(O)[C@@H]1Nc2c(cccc2N2CCOCC2)[C@H]2C=CC[C@H]21	62241738	BUBNBCQHMMYXBQ-AXAPSJFSSA-N	300.358	2.062	10	1	DECF	
O=C1OC(c2ccc(O)c(O)c2)=CC1=Cc1cc(O)cc(O)c1	2356569524	NKCVEROYQKLTRJ-UHFFFAOYSA-N	312.277	2.490	10	1	DECF	
O=C1c2cccc(O)c2C(=O)c2c1cc1c(c2O)[C@@H]2C=CO[C@@H]2O1	6093803	QLPXJOSOFOPAMO-DCXZOGHSSA-N	322.272	2.219	10	1	DECF	biogenic
O=C(C=Cc1ccc(O)c(O)c1)OCCc1ccc(O)c(O)c1	2356419751	CCHKZGVRIOKSEE-UHFFFAOYSA-N	316.309	2.308	10	1	DECF	
O=c1cc(Oc2ccc(O)cc2)oc2cc(O)c(O)c(O)c12	14811469	ABOYWHFIYLNFAE-UHFFFAOYSA-N	302.238	2.408	10	1	DECF	biogenic,in-vitro
Cc1c(O)c(O)c2c(c1O)C(=O)[C@H](Cc1ccc(O)cc1)CO2	238750612	PHVAJSHZGQKOKJ-SNVBAGLBSA-N	316.309	2.251	10	1	DECF	
COc1ccc(C[C@H]2C(=O)C(=O)[C@@H]2NCCC(C)(C)C)cc1	28474305	XSHSAWVDZIHHRQ-HUUCEWRRSA-N	303.402	2.400	10	1	DECF	
C=Cc1c(O)cc2c(c1O)C(=O)c1c(cc(O)c(C)c1O)C2=O	6069007	QJYKEDOTWFLQFT-UHFFFAOYSA-N	312.277	2.236	10	1	DECF	biogenic
CO[C@H]1CC=C2CCCN3C(=O)c4cc(O)c(O)cc4C[C@]23C1	13405238	WXHIBTLDYRFPKW-UGSOOPFHSA-N	315.369	2.364	10	1	DECF	biogenic
Cc1c(C(=O)Nc2ccccc2O)nnn1Cc1ccccc1O	40861457	MNYPWFFPPJTNAA-UHFFFAOYSA-N	324.340	2.298	10	1	DECF	
CCOC(=O)CCC(C)=CCc1c(O)cc2c(c1O)CNC2=O	2356560747	DJPYXBQXHRJAHM-UHFFFAOYSA-N	319.357	2.173	10	1	DECF	
CC(=O)N1N=C(c2ccc(C)nc2)O[C@@H]1c1ccc(O)c(O)c1	96935252	JDBLEHLSUMJMCQ-MRXNPFEDSA-N	313.313	2.040	10	1	DECF	
O=C1c2cccc(O)c2C2=N[C@@H](CCCO)Oc3cccc1c32	96937633	JQHZTEBFCBBNCR-CQSZACIVSA-N	309.321	2.265	10	1	DECF	
N=c1[nH]c2c(C(=O)NCc3ccccc3)cc(O)c(O)c2s1	1857556737	PLMVVSCYPQNTMH-UHFFFAOYSA-N	315.354	2.050	10	1	DECF	
COc1c2c(cc3c1C(=O)c1c(O)cccc1C3=O)C[C@@H](O)CC2	5836445	XVJWWBRQLNXKLY-JTQLQIEISA-N	324.332	2.026	10	1	DECF	
O=C1OC[C@H](Cc2ccc(O)c(O)c2)[C@H]1Cc1cccc(O)c1	38420626	MJMVFOFWTGVQBW-DZGCQCFKSA-N	314.337	2.378	10	1	DECF	endogenous,in-man
O=C1O[C@H](c2ccc(O)c(O)c2)C(c2ccc(O)cc2)=C1O	45498195	FZVVHOMGSDJSNH-OAHLLOKOSA-N	300.266	2.371	10	1	DECF	
COC(=O)/C=C/c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O	38421144	GRZOCJIGSSBKQB-VOTSOKGWSA-N	324.288	2.059	10	1	DECF	
COc1cc([C@@H]2CC(c3ccc(O)cc3O)=NN2)ccc1O	95586498	HEIULSZHDWHAMC-LBPRGKRZSA-N	300.314	2.251	10	1	DECF	
Cc1c(CN2CCN(C)CC2)oc2c1C(=O)C(=O)c1ccccc1-2	169353278	XUOSRKOGPZFLEX-UHFFFAOYSA-N	324.380	2.381	10	1	DECF	
COc1ccc(N2NC(=O)/C(=C\c3ccccc3F)C2=O)cc1	40972729	XWLNHSCKJPPJKB-GXDHUFHOSA-N	312.300	2.296	10	1	DECF	
Cc1cc(CN2C(=O)c3ccc(O)c(O)c3C2=O)ccc1F	43019729	SNZJPXSPXXYSJH-UHFFFAOYSA-N	301.273	2.342	10	1	DECF	
C[C@H]1CCCN(CCC(=O)c2ccc(O)c(O)c2[N+](=O)[O-])C1	13677673	XYGDVCGCANBLDC-JTQLQIEISA-N	308.334	2.311	10	1	DECF	
O=C(O)[C@H]1Nc2c(C(=O)N3CCCC3)cccc2[C@H]2C=CC[C@H]12	5589295	SLERUHSLMRNVML-FFSVYQOJSA-N	312.369	2.461	10	1	DECF	
COc1cc(-c2oc3cc(O)cc(=O)c-3cc2O)cc(O)c1O	5732490	MPIZRTRIYBCZDS-UHFFFAOYSA-N	316.265	2.243	10	1	DECF	
C[C@H]1C(=O)c2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1	33833929	NDKNYUFZUFHDFQ-GYKQLYQFSA-N	302.282	2.462	10	1	DECF	biogenic,in-vitro
COc1ccccc1C(=O)C(=O)c1cn(Cc2ccccc2)nn1	96932330	AWLOTROFCFGEPS-UHFFFAOYSA-N	321.336	2.401	10	1	DECF	
O=C(O)/C(=C/c1ccc(O)cc1)c1cc(O)c(O)cc1C(=O)O	96921736	YJOUNFAKLPBLDQ-VZUCSPMQSA-N	316.265	2.127	10	1	DECF	
CN(CCO)c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1	587192733	AKCWEMDMSBWTPA-UHFFFAOYSA-N	311.341	2.387	10	1	DECF	
Cc1ccc(S(=O)(=O)N[C@@H](CCCCN)CN=[N+]=[N-])cc1	40933107	FDYGASNLLKMMNX-LBPRGKRZSA-N	311.411	2.081	10	1	DECF	
O=C(c1ccc(O)cc1O)[C@@H]1CCc2c(ccc(O)c2O)C1	685935807	PQSPWMMSVYPZPZ-SNVBAGLBSA-N	300.310	2.497	10	1	DECF	biogenic,in-vitro
Cc1nnsc1C1=NNC(=O)/C1=C\c1c[nH]c2ccccc12	28954921	HQBHTMAZUORBNX-WDZFZDKYSA-N	309.354	2.245	10	1	DECF	
COc1ccc(-c2oc3cc(O)c(O)c(O)c3c(=O)c2O)cc1	14644918	CAFWNRISMBVFFM-UHFFFAOYSA-N	316.265	2.291	10	1	DECF	biogenic
COc1cc(C[C@H]2NCCc3cc(O)c(O)cc32)ccc1O	13524756	GOIJDLAWUUTOIP-CYBMUJFWSA-N	301.342	2.242	10	1	DECF	
Cn1c2c(c3ccc(C(=O)O)cc3c1=O)C(=O)c1ccccc1-2	95584649	DHLNHOVFNILKBD-UHFFFAOYSA-N	305.289	2.448	10	1	DECF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(-c3cnc[nH]3)cc21	28246510	WUYHDMUFICGAKH-UHFFFAOYSA-N	301.277	2.249	10	1	DECF	
C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@@H]3[C@@H]1C[C@H](O)[C@H]2O	575125028	ZUGCDOZAVASBQT-HALLVCFASA-N	304.386	2.286	10	1	DECF	biogenic
C[C@H](Cc1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1	26991059	PXJVLAOYQYPBNI-LLVKDONJSA-N	303.358	2.272	10	1	DECF	
CC(=O)Nc1ccc2c(c1)C(=O)c1cc(NC(C)=O)ccc1C2=O	40919094	SNSGXIQBZKNIJT-UHFFFAOYSA-N	322.320	2.379	10	1	DECF	in-vivo
Oc1cc2c(cc1O)[C@H]1Oc3cc4c(cc3[C@H]1CO2)OCO4	14763357	QNMYAYDPWHAXCP-JDNHERCYSA-N	300.266	2.436	10	1	DECF	biogenic
CC[C@H](C)c1ccc2[nH]c(C=[N+]=[N-])c(C[C@H](N)C(=O)O)c2c1	587642982	QNLQQAFEYQSIBY-ZANVPECISA-N	300.362	2.285	10	1	DECF	
CNC1=NC(=O)/C(=C/c2cnn(-c3ccccc3F)c2)S1	73046245	ZZNKCLGSVNLQAC-SDQBBNPISA-N	302.334	2.201	10	1	DECF	
NC(=O)CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	95585343	JCGVYLSLGIYEEB-UHFFFAOYSA-N	318.332	2.088	10	1	DECF	
O=C1OC[C@H](Cc2cccc(O)c2)[C@H]1Cc1cccc(O)c1O	95620793	XZCLFXNAFVVPJG-DZGCQCFKSA-N	314.337	2.378	10	1	DECF	endogenous,in-man
Cc1ccc(O)c([C@H]2N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c1	963525463	MQXVPBWVAJFBQA-YOEHRIQHSA-N	313.353	2.403	10	1	DECF	
CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CO[C@H](C)CN2C1=O	103183052	JNKNQKNJFOCEND-WBMJQRKESA-N	316.401	2.165	10	1	DECF	
O=C1c2cccc(O)c2C2=N[C@H](CCCO)Oc3cccc1c32	96937632	JQHZTEBFCBBNCR-AWEZNQCLSA-N	309.321	2.265	10	1	DECF	
Oc1ccc2c(c1O)OC[C@@H]1c3cc4c(cc3O[C@H]21)OCO4	14763406	GGIPOZCJJKKBBV-RFAUZJTJSA-N	300.266	2.436	10	1	DECF	biogenic
Nc1ccc(S(=O)(=O)Nc2cc(F)c(O)c(F)c2)cc1	40845223	KFCPLBLWUKHLOU-UHFFFAOYSA-N	300.286	2.053	10	1	DECF	
Nc1ccc(Cn2cnc([C@@H]3NC(=O)c4ccccc4N3)c2)cc1	1857759197	YVILXZFPNCVOBV-KRWDZBQOSA-N	319.368	2.368	10	1	DECF	
NC[C@@H]1O[C@@H](COCc2ccccc2)Cc2c1ccc(O)c2O	26576776	JAZQRIDSKRIHDH-DYVFJYSZSA-N	315.369	2.256	10	1	DECF	
CCc1cc(C)cc(CC)c1[C@@H]1C(=O)N2CCCOCN2C1=O	103192077	WHWZBOMHQLVZTM-MRXNPFEDSA-N	316.401	2.167	10	1	DECF	
O=C1c2ccc(O)cc2O[C@@H]2c3cc(O)c(O)cc3CO[C@@H]12	14638438	ZKTRTVSORJMRTK-CVEARBPZSA-N	300.266	2.019	10	1	DECF	biogenic
COc1cc(/C=C/c2nc3cc(N)c(N)cc3[nH]2)cc(O)c1O	587786206	RRIYITZFZKFYCF-NSCUHMNNSA-N	312.329	2.318	10	1	DECF	
CCC(=O)NS(=O)(=O)c1ccc(/N=N\N2CCCCC2)cc1	101389535	GDJZPEMMXGWYKU-ICFOKQHNSA-N	324.406	2.386	10	1	DECF	
O=C1CN2Cc3c(ccc(N4CCCCC4)c3Cl)NC2=N1	29205391	OGPTZDNSPLINAS-UHFFFAOYSA-N	304.781	2.454	10	1	DECF	
COc1cc([C@@H]2CC(=O)Oc3c2ccc(O)c3O)ccc1O	1911581699	WIMGVDLHIAPOJO-JTQLQIEISA-N	302.282	2.253	10	1	DECF	
Cc1ccc2c(c1O)C(=O)c1c(cc(O)c(C(=O)O)c1C)C2=O	2356713031	WMIWGVOVOPFGRB-UHFFFAOYSA-N	312.277	2.188	10	1	DECF	
Cc1nccc2[nH]c(-c3cc(NS(C)(=O)=O)ccc3O)nc12	586948033	JWKRLKRNLWFUMM-UHFFFAOYSA-N	318.358	2.010	10	1	DECF	
O=C(/C=C/c1ccc(O)c(O)c1)OCc1ccc([N+](=O)[O-])o1	103238830	SEPKDTOLMAINTE-QHHAFSJGSA-N	305.242	2.356	10	1	DECF	
O=C(Cc1ccc(O)c(O)c1)OCCc1ccc([N+](=O)[O-])cc1	1857540662	KJJQEPNJKGAYBQ-UHFFFAOYSA-N	317.297	2.334	10	1	DECF	
CC(C)=CCc1cccc2c(C3C(=O)C(=O)CC(=O)C3=O)c[nH]c12	169717682	ZXKWXMBUCWWPDM-UHFFFAOYSA-N	323.348	2.440	10	1	DECF