smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CN1C(=O)C(=Cc2ccc(Cl)c(Cl)c2)C(=O)N(C)C1=O	4713726	OGERHQOUYIDUFQ-UHFFFAOYSA-N	313.140	2.427	10	50	DECA	
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cccc(O)c3)C2=O)c1	2847681	RXJUXDQSCXUYDJ-XNTDXEJSSA-N	322.320	2.367	10	50	DECA	
CCn1ccnc1[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2	275674452	VTYHJUZMEWATFV-RDJZCZTQSA-N	313.401	2.458	10	50	DECA	
Nc1c(N2CCCC2)cc(O)c2c1C(=O)c1ccccc1C2=O	3999351	WLJKZZOXXCJUGT-UHFFFAOYSA-N	308.337	2.350	10	50	DECA	biogenic
COc1ccc(/C=C2/SC(N3CCCC3)=NC2=O)cc1O	78319	OODPHHWFEXAVTQ-UKTHLTGXSA-N	304.371	2.467	10	50	DECA	
CC(C)CCN1CCN(Cc2ccccc2O)C[C@@H]1CCO	23374030	CWHJHOGMNUMNRS-KRWDZBQOSA-N	306.450	2.307	10	50	DECA	
COC(=O)CN1C(=O)/C(=C\c2cccc(OC)c2)SC1=S	1205852	MJZKSEGDRFRRFG-YRNVUSSQSA-N	323.395	2.069	10	50	DECA	
COc1ccc(N2CC3(CN(Cc4nnc(C)s4)C3)C2)cc1	2356167542	RQDMXPOLIQDJSQ-UHFFFAOYSA-N	316.430	2.177	10	50	DECA	
Cc1nn(C)cc1-n1ccnc1-c1ccc(N(C)CCO)cc1	1857691360	HWSCMVLWGDRJDI-UHFFFAOYSA-N	311.389	2.010	10	50	DECA	
O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccoc1	4819699	UGUGTEYIZVDUAP-GHXNOFRVSA-N	316.313	2.250	10	50	DECA	
CN(C)c1ccc(/C=C2\SC(=S)NC2=O)cc1[N+](=O)[O-]	5016121	VQIZRMYNDORVSG-POHAHGRESA-N	309.372	2.150	10	50	DECA	
CN(C)c1ccc(CNC(=O)c2cc(-c3ccc[nH]3)[nH]n2)cc1	583649356	LNXHPCFRXAXIAH-UHFFFAOYSA-N	309.373	2.401	10	50	DECA	
C[C@H](CSC(=S)NCc1ccccc1)S(C)(=O)=O	2325772715	UIYZSOWZCLFGSO-SNVBAGLBSA-N	303.474	2.227	10	50	DECA	
COCCN1C(=O)/C(=C\c2ccccc2)C(C(=O)OC)=C1C	2899259	YVTVQRXXJBJNLU-KAMYIIQDSA-N	301.342	2.006	10	50	DECA	
CC(=O)Oc1ccc(OC(C)=O)c2c1C(=O)c1ccccc1C2=O	4187340	RLHYRFVLZOSXDH-UHFFFAOYSA-N	324.288	2.313	10	50	DECA	biogenic
COc1ccccc1/C=C1/C(=O)NN(c2ccc(F)cc2)C1=O	13536313	YPZXIVBOAZUHKQ-UVTDQMKNSA-N	312.300	2.296	10	50	DECA	
CN1CCC[C@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	72117693	SQOIXSXAQXHEQR-INIZCTEOSA-N	301.434	2.245	10	50	DECA	
O=C(O)CCCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S	1011300	YTEAQCYWZIQXRU-DHZHZOJOSA-N	323.395	2.458	10	50	DECA	
C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(O)cc1	2700357	UGGDEUINYPHAPB-WQLSENKSSA-N	323.395	2.458	10	50	DECA	
CO[C@H]1CCOC[C@@H]1NC(=O)c1c(C)c2cccc(C)c2n1C	1565526281	FDZSZIUKWGWFSX-GJZGRUSLSA-N	316.401	2.329	10	50	DECA	
CC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(C)=O)cc1C2=O	4713053	SDSHBEGQFSNUNA-UHFFFAOYSA-N	322.320	2.379	10	50	DECA	
COc1cc(NCc2ccc(N3CCOCC3)c(F)c2)ncn1	133193174	UBKAWDNUPRAKPI-UHFFFAOYSA-N	318.352	2.073	10	50	DECA	
CN1CCN(c2ccc(CNC(=O)c3cccs3)cc2)CC1	49740617	PXEFQRATJLPXQW-UHFFFAOYSA-N	315.442	2.430	10	50	DECA	
CN1C(=O)/C(=C/c2ccc[nH]2)C(=O)N(c2ccccc2)C1=S	502645	XDXLSMIWNAJOQW-RAXLEYEMSA-N	311.366	2.188	10	50	DECA	
CCCn1cnnc1CNCc1ccc(OC)c(COC)c1	952871862	FFLYEGGWJIJSNE-UHFFFAOYSA-N	304.394	2.133	10	50	DECA	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc[nH]1	19597146	YDDCIJKITBNBJT-NTMALXAHSA-N	315.716	2.335	10	50	DECA	
CC[C@H](N[C@@H]1CCc2nc(COC)nn2C1)c1ccccc1O	156721888	UUZHJPRHPAOBBY-OCCSQVGLSA-N	316.405	2.186	10	50	DECA	
COc1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1	4973749	WSEUYRGQPGVMBV-UHFFFAOYSA-N	302.330	2.377	10	50	DECA	
CC1=C([N+](=O)[O-])CS(=O)(=O)/C1=C\c1ccc(N(C)C)cc1	101250737	LKPXWDBZYWTSNM-ZSOIEALJSA-N	308.359	2.073	10	50	DECA	
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C\c1ccccc1	453499	PFYNTAXMTCGBIH-BENRWUELSA-N	310.284	2.492	10	50	DECA	
CCOC(=O)[C@@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1	4989021	AYGPNTYYTYMSKS-LLVKDONJSA-N	308.334	2.076	10	50	DECA	
Cc1cccc(N2C(=O)/C(=C/c3ccoc3)C(=O)NC2=S)c1	441017	DUSVUOAQUPAZER-MDWZMJQESA-N	312.350	2.419	10	50	DECA	
C[C@@H](C(=O)O)N1C(=O)/C(=C\Nc2ccccc2)SC1=S	16134365	UVVSUPAFRDSLTD-VKHJRQFRSA-N	308.384	2.273	10	50	DECA	
CC[C@@H](C)[C@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O	44082	DVPCIHZZWJUPQF-PSLIRLAXSA-N	319.357	2.396	10	50	DECA	biogenic
O=C(O)CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S	1322431	PFEOKQKYEJFZNV-WZUFQYTHSA-N	318.379	2.454	10	50	DECA	biogenic
COc1cccc(/C=C2/SC(=S)N([C@H](C)C(=O)O)C2=O)c1	12381001	FJIUKWTXHQDLEI-XAPLUZPNSA-N	323.395	2.370	10	50	DECA	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2nonc12	6699779	QNBLFMISMUWWFB-SNVBAGLBSA-N	315.354	2.363	10	50	DECA	
Cc1ccccc1[C@H](C(=O)NCc1ccc(O)cc1O)N(C)C	95496922	FFJIZNGUSSHGAJ-QGZVFWFLSA-N	314.385	2.325	10	50	DECA	
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccoc1	4815328	AXELCUBJYLVWRY-QPEQYQDCSA-N	314.272	2.081	10	50	DECA	
Cc1ccc([C@@H](C(=O)NCc2ccc(O)cc2O)N(C)C)cc1	91435326	BRICPXMRAVNEFQ-KRWDZBQOSA-N	314.385	2.325	10	50	DECA	
Nc1ccc(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)O)cc1	3878523	GSITZZUEHIPPMH-UHFFFAOYSA-N	309.303	2.167	10	50	DECA	
COc1cc([N+](=O)[O-])ccc1NC(=S)NCc1ccccn1	8682756	DNQXSBZLYVYBAH-UHFFFAOYSA-N	318.358	2.485	10	50	DECA	
CC(C)n1cc(C=C2C(=O)NC(=S)NC2=O)c2ccccc21	566642	NGZKAGREPFJFHC-UHFFFAOYSA-N	313.382	2.137	10	50	DECA	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@H](c2ccon2)C1	1875278967	QVAQAVSMLQSAFH-KMOQFTEPSA-N	300.314	2.115	10	50	DECA	
COC(=O)c1cc(OC[C@@H]2C[N@]2CC2CC2)ccc1N(C)C	1875385081	MNPYQPWYVJGKHK-DJJJIMSYSA-N	304.390	2.012	10	50	DECA	
C[C@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	1213690	ZUHLOKNILGGVCY-LWYMYGMPSA-N	309.368	2.067	10	50	DECA	
COc1ccc(-n2c(C)cc(/C=C3\NC(=O)NC3=O)c2C)cc1	15799705	YUHRKYBXPWGLKT-DHDCSXOGSA-N	311.341	2.283	10	50	DECA	
C[C@@H]1CCC[C@@H](C)N1C(=O)C(=O)NCc1ccc(N(C)C)cc1	170597748	XVSJVWNPBPDMDL-ZIAGYGMSSA-N	317.433	2.158	10	50	DECA	
OC[C@]1(NCc2ccc3c(c2)CCO3)CCOc2ccccc21	225649618	CXKJLTVOZWRTBJ-LJQANCHMSA-N	311.381	2.381	10	50	DECA	
Cc1cc(C(=O)C(=O)N(C)C)c(C)n1-c1ccc([N+](=O)[O-])cc1	4054609	RCHJQSCBZLZYTN-UHFFFAOYSA-N	315.329	2.273	10	50	DECA	
CCOC(=O)C1CCN(Cc2cc([N+](=O)[O-])ccc2O)CC1	4988307	FREWUSAIGFEDGG-UHFFFAOYSA-N	308.334	2.076	10	50	DECA	
CCOC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(O)c(OCC)c1	22064241	LOHFTMTXUOPWQL-WQLSENKSSA-N	317.341	2.141	10	50	DECA	
CN(C)c1ccc(/C=C/C(=O)NC(=O)c2ccccc2O)cc1	177332	OUOXWGOIQRXHGN-FMIVXFBMSA-N	310.353	2.428	10	50	DECA	
CCOC(=O)N1CC[C@@H](NCc2ccc3c(c2)CCCO3)C1	534650513	VAGPBJSMQZUPQR-OAHLLOKOSA-N	304.390	2.332	10	50	DECA	
Cc1c([C@H]2OCC[C@@H]2NCc2ccc3c(c2)CCO3)cnn1C	328645975	ZWWLSSCMCVNKKW-FUHWJXTLSA-N	313.401	2.283	10	50	DECA	
Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)[nH]1	15837715	GRJGUNMDRLQOCA-OQLLNIDSSA-N	323.352	2.294	10	50	DECA	
CN(Cc1cccc(N(C)C)c1)C(=O)c1cccc(O)c1O	193140485	QHAGJIJRCZGZSZ-UHFFFAOYSA-N	300.358	2.436	10	50	DECA	
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccco1	440986	VUBQAJDQFPQSDV-JYRVWZFOSA-N	314.272	2.081	10	50	DECA	
COc1ccc(N2CCN(C(=O)NC3CCCC3)CC2)cc1	9874222	ADKWCYNEWOQXLD-UHFFFAOYSA-N	303.406	2.469	10	50	DECA	
COc1ccccc1/C=C1/SC(=S)N([C@@H](C)C(=O)O)C1=O	16711889	IWDBBBIBRNNGFL-LBTPYSACSA-N	323.395	2.370	10	50	DECA	
COC(=O)c1cc(CN[C@H](C)c2cc(OC)ccc2O)cn1C	408516964	AUZBWPLJCYHZRO-LLVKDONJSA-N	318.373	2.377	10	50	DECA	
CC[C@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S	5809366	DLJAWAOAHJQVKI-ZFZMKPAXSA-N	308.384	2.146	10	50	DECA	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@@H]1CCNC1	843049554	PRVBGAOOLJXDRS-OAHLLOKOSA-N	318.421	2.379	10	50	DECA	
O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc[nH]1	4833568	UUBZQWQXGGPPIQ-XYOKQWHBSA-N	315.716	2.335	10	50	DECA	
Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccccc1	13111252	WNBRROQPFNUFHI-GDNBJRDFSA-N	323.352	2.186	10	50	DECA	
CCN1CCC[C@H]1CNCc1cc(-c2cncnc2)ccc1O	299787140	ZKVJFZKCUGRZHI-KRWDZBQOSA-N	312.417	2.423	10	50	DECA	
Cc1ccc(/C=C2\SC(N3CCN(C)CC3)=NC2=O)cc1	82850	GJRZEJOBVATPBF-KAMYIIQDSA-N	301.415	2.213	10	50	DECA	
CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)cc1	966881	FDOAJULQLDZKDQ-YRNVUSSQSA-N	323.395	2.371	10	50	DECA	
O=C1NC(=O)C(=CNc2ccccc2-c2ccccc2)C(=O)N1	7091937	HWXIDWOBLNLPCJ-UHFFFAOYSA-N	307.309	2.015	10	50	DECA	
CC(C)CCN1CCN(Cc2ccccc2O)C[C@H]1CCO	104538701	CWHJHOGMNUMNRS-QGZVFWFLSA-N	306.450	2.307	10	50	DECA	
Cc1nn(Cc2ccccc2)c(C)c1/C=C1/C(=O)NC(=O)N=C1O	3004304	FMHHLDRQIHLUOF-UHFFFAOYSA-N	324.340	2.138	10	50	DECA	
O=C(NCc1cccc(Cl)c1O)[C@H]1CCn2ccnc2C1	890759646	GCACIXPERROHTP-JTQLQIEISA-N	305.765	2.121	10	50	DECA	
O=C(O)/C=C/C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O	4837592	RYPDDHYEWBGMKY-BQYQJAHWSA-N	321.288	2.041	10	50	DECA	
CCOC(=O)c1c(SC)nn2c(O)c3c(nc12)CCCC3	253534690	GIUQYZMWORIPPM-UHFFFAOYSA-N	307.375	2.212	10	50	DECA	
CCN1C(=O)N[C@H]2c3ccc(N(C)C)cc3O[C@@]13CCCO[C@H]23	1875319958	ABUKTOGQHQAWQL-ZMSDIMECSA-N	317.389	2.107	10	50	DECA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1	4884944	CJGZYFQKLRLDLW-UHFFFAOYSA-N	308.315	2.410	10	50	DECA	
CN(C(=O)[C@H]1C[C@H](N=[N+]=[N-])C1)[C@H](Cc1ccccc1)C(=O)O	1875358516	YUEMAWVUQJLXEK-JHJVBQTASA-N	302.334	2.230	10	50	DECA	
COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccccc2)C1=O	13633303	RXOUWRFCGHZSCJ-SDNWHVSQSA-N	322.320	2.362	10	50	DECA	
CCn1nncc1CNCc1cc(Br)ccc1O	841884995	BEPARZLMONCXNJ-UHFFFAOYSA-N	311.183	2.056	10	50	DECA	
NC(=O)CCCN1C(=O)/C(=C/c2ccccc2)SC1=S	1214696	RUYICEQRGRFGIJ-LUAWRHEFSA-N	306.412	2.153	10	50	DECA	
Cn1cccc1/C=C1/C(=O)N=C(S)N(c2ccccc2)C1=O	1295347	MEGFBASJGORXIQ-RAXLEYEMSA-N	311.366	2.268	10	50	DECA	
O=C1N=C(O)/C(=C\c2c[nH]nc2-c2ccc(Cl)cc2)C(=O)N1	4949653	PZVCWQJUYBTEEN-UHFFFAOYSA-N	316.704	2.320	10	50	DECA	
CCN(Cc1cc(Br)ccc1O)[C@@H](C)C(=O)O	236919874	SOXZUBGIGZLBPY-QMMMGPOBSA-N	302.168	2.450	10	50	DECA	
COc1cccc(CNC(=O)[C@H]2CC[C@H]3CCCCN32)c1O	824798184	IAAVXLZAMNGSST-ZIAGYGMSSA-N	304.390	2.034	10	50	DECA	
C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	1304741	NOXFPQYJWMPYFL-LWYMYGMPSA-N	309.368	2.067	10	50	DECA	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C[C@@H](C)O1	4614709	VMDWJVZCKMYDND-WMNKIYBBSA-N	318.398	2.472	10	50	DECA	
Cc1ccccc1N1C(=O)NC(=O)/C(=C\c2ccc(O)cc2)C1=O	560972	XXWVYYCMGIGOAL-GXDHUFHOSA-N	322.320	2.367	10	50	DECA	
COC1CCN(c2ccc(Cn3ccnc3[N+](=O)[O-])cc2)CC1	863949121	IZLFNZJQEOBKTN-UHFFFAOYSA-N	316.361	2.455	10	50	DECA	
CCCCN1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)cc2)C1=O	4508361	JJNFCQKKAXJQSR-KAMYIIQDSA-N	315.373	2.015	10	50	DECA	
CC[N+]1=C(SCC(=O)O)S/C(=C/Nc2ccccc2)C1=O	3877663	AVELPQMEESQCNX-UHFFFAOYSA-O	323.419	2.420	10	50	DECA	
Cc1ccc([C@H](C(=O)NCc2ccc(O)cc2O)N(C)C)cc1	91435327	BRICPXMRAVNEFQ-QGZVFWFLSA-N	314.385	2.325	10	50	DECA	
CC(=O)Nc1ccc(NC(C)=O)c2c1C(=O)c1ccccc1C2=O	4577185	KPHHXNVVLVNAMV-UHFFFAOYSA-N	322.320	2.379	10	50	DECA	
O=C1NC(c2cccs2)=C2C(=O)NC(c3cccs3)=C12	100025124	YIUHGBNJJRTMIE-UHFFFAOYSA-N	300.364	2.192	10	50	DECA	in-vitro
COc1cc(OC)c(/C=C2\SC(=S)NC2=O)c(OC)c1	15016516	UZCPUCWXFWKPEH-WDZFZDKYSA-N	311.384	2.201	10	50	DECA	
CSc1ccc(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1	37459	RRJSMTFHPUMQEM-UHFFFAOYSA-N	306.412	2.007	10	50	DECA	
Cc1ccc(N2NC(=O)/C(=C/c3ccc(O)c(O)c3)C2=O)cc1C	4460731	RMOCFAMMZUWGJO-ZSOIEALJSA-N	324.336	2.176	10	50	DECA	
CCc1nccn1[C@@H](C)CC(=O)NCc1c(O)cccc1O	1472063237	FKAHJGYMCLCDQY-NSHDSACASA-N	303.362	2.124	10	50	DECA	
COc1ccc(N2CCC(N(C)CCC3OCCO3)CC2)cc1	195565971	TVHRMEJQVZLHHL-UHFFFAOYSA-N	320.433	2.359	10	50	DECA	
CN1C(=O)C(=Cc2cccc(Cl)c2Cl)C(=O)N(C)C1=O	2831776	PQOYIRDHBNHONP-UHFFFAOYSA-N	313.140	2.427	10	50	DECA	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cccc(O)c1	440866	LELKHCYSQBTXLH-GXDHUFHOSA-N	308.293	2.059	10	50	DECA	
CC[C@@H](C)Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	2815113	VNFFBZZAJIJFMG-MRVPVSSYSA-N	322.748	2.267	10	50	DECA	
O=C(Nc1cc(C(=O)N2Cc3cccc(O)c3C2)ccn1)C1CC1	871204270	BXIMREWMPPBGJV-UHFFFAOYSA-N	323.352	2.292	10	50	DECA	
CS(=O)(=O)Cc1ccc(CNCc2cc(F)ccc2O)cc1	1616036448	VUUDWSZMUNJJJN-UHFFFAOYSA-N	323.389	2.366	10	50	DECA	
O=C1N=C(N2CCC(C(=O)O)CC2)S/C1=C/c1ccco1	1395053	ZPUDCARBRRDYJA-DHZHZOJOSA-N	306.343	2.047	10	50	DECA	
CN1C(=O)C(=Cc2c(Cl)cccc2Cl)C(=O)N(C)C1=O	3189329	BCMJMLBXQZCTGM-UHFFFAOYSA-N	313.140	2.427	10	50	DECA	
CN(Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)[C@H]1CCNC1	843049553	PRVBGAOOLJXDRS-HNNXBMFYSA-N	318.421	2.379	10	50	DECA	
Cc1cc(=O)oc2c(CN[C@H](C(=O)O)C(C)C)c(O)ccc12	42870	BBBNNWXWIBURGZ-AWEZNQCLSA-N	305.330	2.006	10	50	DECA	biogenic
Cc1cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)ccc1O	4036427	RRWYXVVIKNMSAE-UHFFFAOYSA-N	308.315	2.410	10	50	DECA	
Nc1ccc(CC(=O)N2CCC[C@@]3(CCc4c[nH]nc43)C2)cc1	1775984290	NEQNZWWIAQMBKT-GOSISDBHSA-N	310.401	2.041	10	50	DECA	
COc1cccc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)c1O	13576551	BPNUQQSCDCBEAN-UVTDQMKNSA-N	324.336	2.171	10	50	DECA	
CS(=O)(=O)Cc1ccc(CNCc2cccc(F)c2O)cc1	1615588183	YLDDRCKESMXPLU-UHFFFAOYSA-N	323.389	2.366	10	50	DECA	
O=c1ccc2cc(S(=O)(=O)Nc3ccc(O)cc3)ccc2o1	192685354	WBGPCQJYSVNHCS-UHFFFAOYSA-N	317.322	2.299	10	50	DECA	
CCCN(CCO)c1ccc(OC)c2c(N)nc(Cl)nc12	170610854	CEUDJDRVMNRBGF-UHFFFAOYSA-N	310.785	2.083	10	50	DECA	
CC(C)(C)N1C(=O)NC(=O)/C(=C/c2cc3ccccc3[nH]2)C1=O	100075447	MYABRXVEGPKWQN-XFXZXTDPSA-N	311.341	2.428	10	50	DECA	
COc1ccc(N/C=C2\C(=O)N(c3ccccc3)N=C2N)cc1	5175306	GVRLBGUIJVWUIG-PTNGSMBKSA-N	308.341	2.310	10	50	DECA	
COc1cccc(/C=C2\SC(=S)N(CCC(=O)O)C2=O)c1	12504550	WCTOQHZQAPZILK-FLIBITNWSA-N	323.395	2.371	10	50	DECA	
CC(C)Oc1ccc2ccccc2c1C=C1C(=O)NC(=O)NC1=O	2969608	DEUBASGISLFCDC-UHFFFAOYSA-N	324.336	2.376	10	50	DECA	
COc1ccc2c(c1)c(=O)oc1c(C)c(OCC(N)=O)ccc12	314161	ZOEMLMGAPPRIJS-UHFFFAOYSA-N	313.309	2.127	10	50	DECA	biogenic
O=C1c2ccccc2C(=O)C1(c1ccccc1)N1CCOCC1	19205428	JQBNDEHLOZCRIZ-UHFFFAOYSA-N	307.349	2.293	10	50	DECA	
O=C(O)CCCN1C(=O)/C(=C/c2ccccc2O)SC1=S	1298024	OVFWOEKHPAAQJT-FLIBITNWSA-N	323.395	2.458	10	50	DECA	
Cc1ccc(N2NC(=O)/C(=C/c3cc(C)ccc3O)C2=O)cc1	4724576	OIGCPWTUVANAQF-GDNBJRDFSA-N	308.337	2.470	10	50	DECA	
CC(C)(C)N1C(=O)NC(=O)/C(=C\c2c[nH]c3ccccc23)C1=O	9360407	JTBSTMPPMLOUSX-XYOKQWHBSA-N	311.341	2.428	10	50	DECA	
CCN1C(=O)/C(=C/c2cccc(OCC(=O)O)c2)SC1=S	977538	GOQDEJWEFJREDF-XFFZJAGNSA-N	323.395	2.371	10	50	DECA	
O=S(=O)(Nc1ccc(F)c(F)c1)c1cccc2nonc12	17032228	PTUSHTUASNSGCI-UHFFFAOYSA-N	311.269	2.302	10	50	DECA	
CCN(CCn1cccn1)C(=O)N[C@H](C)c1ccccc1O	534676845	AFNSWYPEHOKYIE-CYBMUJFWSA-N	302.378	2.381	10	50	DECA	
Cc1cc(/C=C2\NC(=S)N(C)C2=O)ccc1N1CCCC1	12513894	PCFIAEPLZXEPFK-RAXLEYEMSA-N	301.415	2.283	10	50	DECA	
Cn1ccnc1[C@@H]1OCC[C@H]1CNCc1ccc2c(c1)CCO2	850391695	BTWBSDDBVNOJRV-DOTOQJQBSA-N	313.401	2.222	10	50	DECA	
COc1ccc(N2CCN(c3cc(Cl)nc(N)n3)CC2)cc1	40497759	ZTWGRJOPWJUPBX-UHFFFAOYSA-N	319.796	2.047	10	50	DECA	
O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(F)cc1	53843	ADLWVYMZZIAYDP-ZROIWOOFSA-N	300.264	2.426	10	50	DECA	
COc1cc(O)c2c(=O)c(O)c(-c3ccc(O)c(O)c3)oc2c1	3875620	JGUZGNYPMHHYRK-UHFFFAOYSA-N	316.265	2.291	10	50	DECA	aggregator,biogenic,in-vitro
O=C1N=C(N2CCCC[C@@H]2CCO)S/C1=C/c1ccco1	1399517	VYPRXQIBTVMKRP-BVRAVYJCSA-N	306.387	2.487	10	50	DECA	
CN1CCc2cc([C@H]3NC(N)=Nc4nc5ccccc5n43)ccc21	130152930	OCENSHXAUFUZLS-INIZCTEOSA-N	318.384	2.125	10	50	DECA	
COC(=O)CCN1C(=O)/C(=C/c2ccccc2)SC1=S	1227516	YYURDKKKWRIBEH-LUAWRHEFSA-N	307.396	2.451	10	50	DECA	
COc1cccc(CN2CCC(C(=O)N3CCCC3)CC2)c1O	4552926	QJMGEFNQGMGZHF-UHFFFAOYSA-N	318.417	2.235	10	50	DECA	
CCCCC(=O)N1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1	4757577	PEYJFBYGIVHBQV-UHFFFAOYSA-N	321.377	2.442	10	50	DECA	
CCOC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)OC(C)(C)C	34235413	YGUWRFUPGXSHNX-ZDUSSCGKSA-N	308.378	2.268	10	50	DECA	
CCCN1C(=O)/C(=C2\SC(=S)NC2=O)c2ccccc21	1159985	DAVGJJZDKMPSKE-KHPPLWFESA-N	304.396	2.302	10	50	DECA	
C[C@H]1CN(Cc2cc([N+](=O)[O-])c3cccnc3c2O)C[C@@H](C)O1	91301	JGKIBDZJQKSCDZ-PHIMTYICSA-N	317.345	2.458	10	50	DECA	
O=C(Cc1ccccc1)NCc1ccc(N2CCOCC2)cc1	13612857	LXUFJBITJKLVNW-UHFFFAOYSA-N	310.397	2.382	10	50	DECA	
COc1ccc(N2CCN(c3cc(C)nc4ccnn34)CC2)cc1	72137037	BMYIMHMJAFYCLP-UHFFFAOYSA-N	323.400	2.373	10	50	DECA	
COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cc(OC)ccc1OC	434424	BDWSLWDHUGVIMC-LCYFTJDESA-N	317.341	2.006	10	50	DECA	
CCO/C(C)=C1\C(=O)N(c2ccccc2)N=C1CC(=O)OC	12412124	BCGPKKJTYSIUHL-PTNGSMBKSA-N	302.330	2.263	10	50	DECA	
O=c1c(-c2nncn2-c2ccccc2)coc2c(O)c(O)ccc12	5927564	RFNFVFZQCMAQJC-UHFFFAOYSA-N	321.292	2.452	10	50	DECA	
O=C(Nc1ccc(O)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1	4832339	GBEFVUNOQWBOBJ-UHFFFAOYSA-N	302.242	2.251	10	50	DECA	
COc1ccc(N2CCC(N(C)Cc3ncon3)CC2)cc1	670466623	UHNYEWRMVJYPHK-UHFFFAOYSA-N	302.378	2.179	10	50	DECA	
O=C1NN=C(C(F)(F)F)C1=CNCc1ccc(Cl)cc1	2040751045	WJMPCDZDSDNJDC-UHFFFAOYSA-N	303.671	2.362	10	50	DECA	
COc1cccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)c1	1213467	FJIUKWTXHQDLEI-XNYAHFKXSA-N	323.395	2.370	10	50	DECA	
CCn1ncc(CNCc2cc(Br)ccc2O)n1	585087117	GNZBMSVSLGLETM-UHFFFAOYSA-N	311.183	2.056	10	50	DECA	
Nc1nc2c(c(-c3cccnc3)n1)CN(Cc1ccccc1O)C2	65425264	QNGMJNFBBXKRAD-UHFFFAOYSA-N	319.368	2.342	10	50	DECA	
COC1(OC)CCOC[C@@H]1CCNCc1ccc2c(c1)CCO2	952993502	YNDICRGVIZHUFU-INIZCTEOSA-N	321.417	2.127	10	50	DECA	
CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cccc1C2=O	4401912	BDYRYAFJCKWMGQ-UHFFFAOYSA-N	324.288	2.313	10	50	DECA	biogenic
Cc1cccc([C@@H](C(=O)NCc2ccc(O)cc2O)N(C)C)c1	95382728	ZLPNTUWBOUAETE-KRWDZBQOSA-N	314.385	2.325	10	50	DECA	
CN1CCN(c2ccc(CNc3nccn4ccnc34)cc2)CC1	895144465	KKIOOLMHHGXPNB-UHFFFAOYSA-N	322.416	2.093	10	50	DECA	
COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)O)ccc12	107566	MAPRYGMPVXSUIJ-UHFFFAOYSA-N	300.266	2.418	10	50	DECA	biogenic
C[C@H](C(=O)O)N1C(=O)/C(=C\c2cccc(O)c2)SC1=S	4784453	ZUHLOKNILGGVCY-VSUWBIFXSA-N	309.368	2.067	10	50	DECA	
Cn1nc(C(=O)O)c2c1CN(Cc1cccc(Cl)c1O)CC2	2325791850	CIQXROPARGTUEM-UHFFFAOYSA-N	321.764	2.036	10	50	DECA	
Cc1c(Cl)ccc2c1NC(=O)/C2=C1\SC(=S)NC1=O	100110381	JDKYCBGMRJNHBE-CLFYSBASSA-N	310.787	2.460	10	50	DECA	
O=C1NC(=O)C(=Cc2cccc(OCc3ccccc3)c2)C(=O)N1	2899241	FCHCVWPSAXPHGN-UHFFFAOYSA-N	322.320	2.015	10	50	DECA	
COc1ccc(N2CCN(Cc3nonc3C)[C@H](C)C2)cc1	670463615	KCJPWVCUTHDYCS-GFCCVEGCSA-N	302.378	2.097	10	50	DECA	
CO[C@]1(C(=O)O)CCN(Cc2ccc(C(C)(C)C)cc2O)C1	2325792863	REOFQTHPRRODQC-QGZVFWFLSA-N	307.390	2.365	10	50	DECA	
COc1cccc(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1O	65532689	GKCQTHXKFKCZAC-CYBMUJFWSA-N	306.406	2.090	10	50	DECA	
COc1cccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)c1	1213464	FJIUKWTXHQDLEI-CLUBXZQOSA-N	323.395	2.370	10	50	DECA	
Cc1cnc(C)c(-c2ccc(O)c(CN3CCC[C@@H](O)C3)c2)n1	19114294	DASULEXIUPVVSR-MRXNPFEDSA-N	313.401	2.423	10	50	DECA	
COc1ccc(N2C(=O)NC(=O)/C(=C/c3ccccc3)C2=O)cc1	4991667	UYFWAYYORZHCSM-PTNGSMBKSA-N	322.320	2.362	10	50	DECA	
CN1C=CC(=C(O)N=NC(=O)COc2ccccc2O)C=C1	334157742	SKSJDCYMYIWISV-UHFFFAOYSA-N	301.302	2.492	10	50	DECA	
COc1c(/C=C2/SC(=S)N(C)C2=O)cccc1[N+](=O)[O-]	16671605	UYOGMCMFODADLZ-RMKNXTFCSA-N	310.356	2.434	10	50	DECA	
COc1ccc(N2CCOCC2)c(NC(=O)c2cccnc2)c1	6671697	QMZWDELKHYMLMH-UHFFFAOYSA-N	313.357	2.179	10	50	DECA	
CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C(/C)NC1CC1	100397643	GWOCEXGIDGWKIK-ZROIWOOFSA-N	300.318	2.343	10	50	DECA	
COc1ccc(/C=C2\SC(=S)N([C@@H](C)C(=O)O)C2=O)cc1	966960	YBNLZBUAKSWHPM-CLUBXZQOSA-N	323.395	2.370	10	50	DECA	
CN(c1ccccc1)c1ccc(C=C2C(=O)NC(=O)NC2=O)cc1	2872946	AADMGMYWVAHBKP-UHFFFAOYSA-N	321.336	2.204	10	50	DECA	
OC[C@H]1CCCN(Cc2cc(Br)ccc2O)C1	23281199	KAEPIAULGMMCTL-JTQLQIEISA-N	300.196	2.359	10	50	DECA	
CN(C)Cc1cc(-c2nccn2CCN2CCCC2)ccc1O	71750461	VVHLKISPVPCLCK-UHFFFAOYSA-N	314.433	2.413	10	50	DECA	
C[C@H]1CN(C2=NC(=O)C(=Cc3ccncc3)S2)C[C@@H](C)O1	2049286299	LBTGLQQURCGEBX-PHIMTYICSA-N	303.387	2.161	10	50	DECA	
CC[C@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	19595304	FXTNOTQQCLWVSR-RILYUOAZSA-N	321.764	2.195	10	50	DECA	
COC(=O)c1ccc(NC=C2C(=O)NN=C2c2ccccc2)cc1	2053539491	RVMAVZRHQGFWRN-UHFFFAOYSA-N	321.336	2.303	10	50	DECA	
CC(=O)c1ccccc1NS(=O)(=O)c1cccc2nonc12	4756609	ZUOQSYLYVSHUJZ-UHFFFAOYSA-N	317.326	2.226	10	50	DECA	
CCCc1cc(=O)oc2c(CN[C@@H](C)C(=O)O)c(O)ccc12	4039466	BFBKOIIDFSEFDL-VIFPVBQESA-N	305.330	2.014	10	50	DECA	biogenic
C[C@H](NCc1cncn1C)c1ccc(N2CCOCC2)cc1	237519668	YBHUPJMXFNOFHB-AWEZNQCLSA-N	300.406	2.108	10	50	DECA	
NC(=O)[C@@H]1C[C@@H](F)CN1Cc1ccc(N2CCCCC2)cc1	284706833	RDTZROBNHKKCQV-ZBFHGGJFSA-N	305.397	2.075	10	50	DECA	
O=S=C(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	2023015	BIQRUDKLALMWBG-UHFFFAOYSA-N	304.283	2.285	10	50	DECA	
COCC1=NNC(=O)C1=CNc1ccc(OC(F)(F)F)cc1	2040739504	DISUEQCPNSSBIA-UHFFFAOYSA-N	315.251	2.013	10	50	DECA	
CCOc1ccc(/C=C2\SC(N3CCOCC3)=NC2=O)cc1	12411679	SYKSUKDZLCWNCF-KAMYIIQDSA-N	318.398	2.388	10	50	DECA	
CC[C@@H](C)[C@@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O	44084	DVPCIHZZWJUPQF-RFAUZJTJSA-N	319.357	2.396	10	50	DECA	biogenic
CCCc1cc(=O)oc2c(CN[C@H](C)C(=O)O)c(O)ccc12	4039469	BFBKOIIDFSEFDL-SECBINFHSA-N	305.330	2.014	10	50	DECA	biogenic
O=C(NCc1ccccc1-n1cccn1)c1cccc(O)c1O	192991694	DKSMPXZYERKGSH-UHFFFAOYSA-N	309.325	2.214	10	50	DECA	
CN1C(=O)N=C(O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O	86705	GUTFXWGJLKVBNU-AGLLBGTNSA-N	301.258	2.083	10	50	DECA	
COc1ccc(C(=O)O)cc1NC(=O)Cc1ccc(N)cc1	2388879	QUQYIEXXKFKKAQ-UHFFFAOYSA-N	300.314	2.157	10	50	DECA	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\C=C\c1ccccc1	15800165	OLQILXDIRKPXFU-VVGDYKIKSA-N	322.320	2.498	10	50	DECA	
COc1ccc(N2CCN(c3nc(CO)cs3)[C@@H](C)C2)cc1	95374251	QZNVZEWYDYNWOI-LBPRGKRZSA-N	319.430	2.359	10	50	DECA	
O=C1NC(=S)S/C1=C/c1ccc(N2CCOCC2)cc1	5394812	GSOZCFRSMTYPLM-FMIVXFBMSA-N	306.412	2.012	10	50	DECA	
COc1ccc2c3c(n(O)c(=O)c2c1OC)-c1ccccc1C3=O	824764642	WBEHAVYAJWHZSD-UHFFFAOYSA-N	323.304	2.467	10	50	DECA	biogenic
Cc1cc(N2CCCC2)ccc1/C=C1\NC(=S)N(C)C1=O	12513873	HYNICPDTWRKXAI-UVTDQMKNSA-N	301.415	2.283	10	50	DECA	
CCOC(=O)[C@H]1CCCN(Cc2cc([N+](=O)[O-])ccc2O)C1	4989022	AYGPNTYYTYMSKS-NSHDSACASA-N	308.334	2.076	10	50	DECA	
c1cc(CNC2CCN(c3ccc4c(c3)OCO4)CC2)no1	952969955	HLQBDIXLDNKODQ-UHFFFAOYSA-N	301.346	2.162	10	50	DECA	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccccc3O)S2)C[C@H](C)O1	5696764	WXAKZNMWICFPFG-UDDXXMGHSA-N	318.398	2.472	10	50	DECA	
CN1C(=O)N=C(O)/C(=C\c2c[nH]nc2-c2ccc(F)cc2)C1=O	3628950	UJDUANTYOSWDCQ-IZZDOVSWSA-N	314.276	2.148	10	50	DECA	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2ccccn2)SC1=S	5178482	OEINKKZULXLWMF-HUYFXPKMSA-N	322.411	2.392	10	50	DECA	
C[C@@H]1CN(Cc2cc([N+](=O)[O-])c3cccnc3c2O)C[C@@H](C)O1	91313	JGKIBDZJQKSCDZ-GHMZBOCLSA-N	317.345	2.458	10	50	DECA	
Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=O)NC1=O	1135487	MRKDEQDHPMKWGK-UKTHLTGXSA-N	304.371	2.156	10	50	DECA	
CC(=O)Oc1ccc(N2C(=O)CC(=O)N2c2ccccc2)cc1	101360045	PQBXRMFIUIHUPG-UHFFFAOYSA-N	310.309	2.297	10	50	DECA	
COc1ccc(N2CCCN(C(=O)C[C@H](O)C(C)C)CC2)cc1	156791336	SJLNRLAUVXJAGG-KRWDZBQOSA-N	320.433	2.141	10	50	DECA	
Cc1ccc(Cl)c2c1NC(=O)/C2=C1\SC(=S)NC1=O	100110362	CFRPOJDSNPNIGN-CLFYSBASSA-N	310.787	2.460	10	50	DECA	
O=C1N=C(N2CCCCC2)S/C1=C1\C(=O)Nc2ccccc21	275835	MBKHHQCWPKMAPD-SEYXRHQNSA-N	313.382	2.465	10	50	DECA	
CN(C)Cc1cc(-c2nccn2CCn2cccn2)ccc1O	71752544	OVKVNDKBLWGPOE-UHFFFAOYSA-N	311.389	2.214	10	50	DECA	
Cc1ccc(N2NC(=O)/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	274241	UDGCXOBIXOVSQB-XNTDXEJSSA-N	323.308	2.365	10	50	DECA	
COc1c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c2c1=O	5998596	WEPBGSIAWZTEJR-UHFFFAOYSA-N	316.265	2.291	10	50	DECA	biogenic,in-vivo
CC[C@@H](C(N)=O)N(C)C(=O)c1c(C)c2cccc(C)c2n1C	426396433	LBYSHLPYKPTIKD-ZDUSSCGKSA-N	301.390	2.131	10	50	DECA	
CC[C@@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccccc1O	156722296	UUZHJPRHPAOBBY-GXTWGEPZSA-N	316.405	2.186	10	50	DECA	
C[C@H]1CN(C2=NC(=O)C(=Cc3ccncc3)S2)C[C@H](C)O1	2049286300	LBTGLQQURCGEBX-QWRGUYRKSA-N	303.387	2.161	10	50	DECA	
O=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(O)c1O	192979762	WNQNVMJWKZWTNC-UHFFFAOYSA-N	323.352	2.273	10	50	DECA	
CN(C)c1cccc2c(S(=O)(=O)NCCN=[N+]=[N-])cccc12	35244582	HVMWRNDGKJZUGJ-UHFFFAOYSA-N	319.390	2.494	10	50	DECA	
COc1cc(OC)cc(C(=O)Nc2ccc(O)cc2C(=O)O)c1	4822874	WUMHJCCRQGYHEQ-UHFFFAOYSA-N	317.297	2.360	10	50	DECA	
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(O)cc1	16309551	HSPAHAVYGSHMQY-UVTDQMKNSA-N	308.293	2.059	10	50	DECA	
CC[C@@H](N[C@@H]1CCc2nc(COC)nn2C1)c1ccccc1O	156722029	UUZHJPRHPAOBBY-TZMCWYRMSA-N	316.405	2.186	10	50	DECA	
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OC)c1O	1061608	WPWMOCDYLDVBRD-POHAHGRESA-N	311.384	2.240	10	50	DECA	
CCN1C(=O)/C(=C\c2ccc(O)c(OC)c2)C(C(=O)OC)=C1C	5715764	RCVDCOHRHGCKKR-WQLSENKSSA-N	317.341	2.093	10	50	DECA	
CC(=O)NN1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S	12379542	JHWVHIUUGANPQU-XYOKQWHBSA-N	321.427	2.005	10	50	DECA	
O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cccs1	5007774	MCGWRRXJWLTQRH-XFFZJAGNSA-N	302.311	2.003	10	50	DECA	
COCCn1cnnc1[C@@H](C)NCc1ccc(OC)c(C)c1	952975847	XURSWYODGBNGLO-CYBMUJFWSA-N	304.394	2.092	10	50	DECA	
CCN1C(=O)N[C@H]2c3ccc(N(C)C)cc3O[C@@]13CCCO[C@@H]23	1875319957	ABUKTOGQHQAWQL-YQQAZPJKSA-N	317.389	2.107	10	50	DECA	
COCCN1C(=O)/C(=C\c2ccc(F)cc2)C(C(=O)OC)=C1C	2967834	LDKQLHOFIJKQEY-UVTDQMKNSA-N	319.332	2.145	10	50	DECA	
CN(C)C(=O)[C@H]1CC[C@H](N=[N+]=[N-])[C@H](NC(=O)OC(C)(C)C)C1	138693400	LVJZCKRMMBTVNC-GARJFASQSA-N	311.386	2.447	10	50	DECA	
O=C(O)CCCN1C(=O)/C(=C\c2ccncc2)SC1=S	1247098	MRCAWGPDHXLKBL-CSKARUKUSA-N	308.384	2.148	10	50	DECA	
COC(=O)CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S	4860254	XHCFTTPOODTGGE-UXBLZVDNSA-N	311.359	2.200	10	50	DECA	
COc1cccc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)c1O	65532693	GKCQTHXKFKCZAC-ZDUSSCGKSA-N	306.406	2.090	10	50	DECA	
CC[C@H](C)[C@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O	44083	DVPCIHZZWJUPQF-VFZGTOFNSA-N	319.357	2.396	10	50	DECA	biogenic
Oc1ccc(Cl)cc1CN1CCC[C@@H](N2CCOCC2)C1	22853446	LUNPGGYLJJSZJV-OAHLLOKOSA-N	310.825	2.342	10	50	DECA	
COc1cccc(CN2CCN(c3ncccc3C)CC2)c1O	65527744	PVZNVOLRWQCKLO-UHFFFAOYSA-N	313.401	2.426	10	50	DECA	
COc1ccccc1[C@@H](Nn1cnnc1)c1cc(F)ccc1O	22018992	IEWBKDPHAQLVOD-MRXNPFEDSA-N	314.320	2.465	10	50	DECA	
CN(C)c1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1	12579470	NQCAEFWJMWHHDD-XFFZJAGNSA-N	322.411	2.038	10	50	DECA	
CCOC(=O)N1CC[C@H](NCc2ccc3c(c2)CCCO3)C1	534650512	VAGPBJSMQZUPQR-HNNXBMFYSA-N	304.390	2.332	10	50	DECA	
CN(C(=O)c1c[nH]nc1[C@@H]1CCCNC1)c1ccc(F)c(F)c1	643485240	APHIWYGAOQTWGK-SNVBAGLBSA-N	320.343	2.432	10	50	DECA	
CN(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1	9322938	RTBQIMIVAPAHPH-UHFFFAOYSA-N	308.378	2.370	10	50	DECA	
Cc1c(C(=O)N(C)CCc2ncon2)n(C)c2c(C)cccc12	426699857	CZNZTJJLJULZNL-UHFFFAOYSA-N	312.373	2.493	10	50	DECA	
Cc1cc(/C=C2\NC(=O)NC2=O)c(C)n1-c1ccc(N(C)C)cc1	15723633	MOVDKJOHPSYMSP-YBEGLDIGSA-N	324.384	2.340	10	50	DECA	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C[C@@H](C)O1	4614711	VMDWJVZCKMYDND-PRRORJFTSA-N	318.398	2.472	10	50	DECA	
COCCNC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1	1777653	XTUHFAGQWDCJLS-UHFFFAOYSA-N	311.337	2.128	10	50	DECA	
COc1cc(/C=C2/C(=O)NN(c3ccc(C)cc3)C2=O)ccc1O	16292733	CSOQAGABDGCRFS-ZROIWOOFSA-N	324.336	2.171	10	50	DECA	
O[C@@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@H]1F	952984789	ZQVKXTUNTOMXTA-QZTJIDSGSA-N	304.409	2.159	10	50	DECA	
COc1cccc(O)c1[C@@H](C)NCCN1CCC(N(C)C)CC1	1615587956	MJONCFLWWVOZNS-CQSZACIVSA-N	321.465	2.077	10	50	DECA	
CN1C(=O)C(=Cc2ccc(C(C)(C)C)cc2)C(=O)N(C)C1=O	2878467	PHNXJCYKCHHMOA-UHFFFAOYSA-N	300.358	2.418	10	50	DECA	
O=C(Nc1ccn(CC(F)(F)F)n1)c1cccc(O)c1O	193143289	MDVHGERRYORYPC-UHFFFAOYSA-N	301.224	2.109	10	50	DECA	
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(O)c3)C2=O)cc1	5043675	OMNOSRRMISICIS-GDNBJRDFSA-N	322.320	2.367	10	50	DECA	
CCc1cccc(CN2CCN(C)[C@H](c3nc(C)no3)C2)c1O	585091328	LLYRMPCOOMGMSD-HNNXBMFYSA-N	316.405	2.135	10	50	DECA	
COCCN1C(=O)/C(=C\c2ccccc2F)C(C(=O)OC)=C1C	3463068	FEPYALWSMBSRPC-RAXLEYEMSA-N	319.332	2.145	10	50	DECA	
CCn1c(C)cc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1C	2833199	KTTGDCQTQWQTSC-IZZDOVSWSA-N	324.427	2.411	10	50	DECA	
CN1C(=O)NC(=O)/C(=C\c2ccc(-c3ccccc3F)o2)C1=O	118142	QGVRLXXDDXKTCA-DHZHZOJOSA-N	314.272	2.177	10	50	DECA	
O=C(NCc1cccc(Cl)c1O)N[C@@H]1CC12CCOCC2	1341684102	BBHRAGNEWHLKAS-GFCCVEGCSA-N	310.781	2.414	10	50	DECA	
CCc1cccc(CN2CCN(C)[C@@H](c3nc(C)no3)C2)c1O	585091329	LLYRMPCOOMGMSD-OAHLLOKOSA-N	316.405	2.135	10	50	DECA	
CN1CCc2ncnc(NCc3cccc(Cl)c3O)c2C1	1615573002	JVYPXHBGIOJVPL-UHFFFAOYSA-N	304.781	2.436	10	50	DECA	
O=C(O)CCCN1C(=O)/C(=C\c2ccccn2)SC1=S	967130	ZQCNGSIDJSWKHF-CSKARUKUSA-N	308.384	2.148	10	50	DECA	
COC(=O)c1cc(CN2CCOc3cc(N(C)C)ccc32)c[nH]1	154920703	ZODABNKPFWJDKA-UHFFFAOYSA-N	315.373	2.266	10	50	DECA	
COc1cccc(-c2ccc(O)c(CN3CCC(O)CC3)c2)n1	19537625	DZVYXNVZNZGLHE-UHFFFAOYSA-N	314.385	2.420	10	50	DECA	
O[C@H]1CN(C2CCN(c3ccc4c(c3)CCC4)CC2)C[C@@H]1F	1616097185	ZQVKXTUNTOMXTA-ROUUACIJSA-N	304.409	2.159	10	50	DECA	
COC(=O)C1=C(C)NC(=O)N[C@H]1c1c(O)ccc2ccccc12	284076	QMEOVZJDOROKDD-OAHLLOKOSA-N	312.325	2.346	10	50	DECA	
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	406652	CNWGAZFNVSWBAI-UHFFFAOYSA-N	306.343	2.151	10	50	DECA	
O=C(C(=O)c1ccc(C(=O)N2CCOCC2)cc1)c1ccccc1	1811680	SGYYRCWTGGDWND-UHFFFAOYSA-N	323.348	2.225	10	50	DECA	
COc1cc(O)cc2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c12	5998785	RJBAXROZAXAEEM-UHFFFAOYSA-N	316.265	2.291	10	50	DECA	biogenic,in-vitro
O=C(NCc1cccc(Cl)c1O)[C@@H]1CCn2ccnc2C1	890759647	GCACIXPERROHTP-SNVBAGLBSA-N	305.765	2.121	10	50	DECA	
CCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=O)NC1=O	2903338	VYODCSBWLNPEID-UHFFFAOYSA-N	322.748	2.268	10	50	DECA	
Cc1c(C)c2ccc(O)c(CN[C@H](C(=O)O)C(C)C)c2oc1=O	206166118	DPEKULHZYAKZKB-AWEZNQCLSA-N	319.357	2.314	10	50	DECA	
C[C@H]1CCC[C@@H](C)N1C(=O)C(=O)NCc1ccc(N(C)C)cc1	170597746	XVSJVWNPBPDMDL-OKILXGFUSA-N	317.433	2.158	10	50	DECA	
O=C(O)CN1C(=O)C(=Cc2c[nH]c3ccccc23)SC1=S	1857801112	PFEOKQKYEJFZNV-UHFFFAOYSA-N	318.379	2.454	10	50	DECA	
CN1CCN(c2ccc(CNC(=O)c3ccccc3)cc2)CC1	49740618	MVUYPXVCSIJEBH-UHFFFAOYSA-N	309.413	2.368	10	50	DECA	
COc1ccc(S(=O)(=O)NCc2ccc(N(C)C)cc2)cc1	7908255	JPZIVZKYRZMVEE-UHFFFAOYSA-N	320.414	2.240	10	50	DECA	
CC(C)(C)OC(=O)N1CCN(CCc2ccc(N)cc2)CC1	19726919	UUFMWTVUJADGLZ-UHFFFAOYSA-N	305.422	2.364	10	50	DECA	
CC[C@@H](NC(=O)c1ccc(/N=N/C(N)=O)cc1)[C@@H](O)C(C)C	1875268813	ILBDWPQPJSOLLL-SGZQFHFOSA-N	306.366	2.374	10	50	DECA	
COc1cccc(CNC(=O)[C@@H]2CC[C@H]3CCCCN23)c1O	824798182	IAAVXLZAMNGSST-KGLIPLIRSA-N	304.390	2.034	10	50	DECA	
COc1ccc(/C=C2\C(=O)NN(c3ccc(C)cc3)C2=O)cc1	2942078	UJYGUMNMACNTTM-LFIBNONCSA-N	308.337	2.465	10	50	DECA	
COc1ccccc1[C@H](Nn1cnnc1)c1cc(F)ccc1O	22018993	IEWBKDPHAQLVOD-INIZCTEOSA-N	314.320	2.465	10	50	DECA	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1cccs1	444104	GMQCWYRPYNAMJQ-UKTHLTGXSA-N	312.350	2.410	10	50	DECA	
O=C(Nc1ccc(O)cc1C(=O)O)c1cccc([N+](=O)[O-])c1	2881290	BRPKEOGKVZEGMS-UHFFFAOYSA-N	302.242	2.251	10	50	DECA	
CCN(Cc1cc(Br)ccc1O)[C@H](C)C(=O)O	236919900	SOXZUBGIGZLBPY-MRVPVSSYSA-N	302.168	2.450	10	50	DECA	
COCCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S	2677649	SCNPLQZVMJRWKK-FLIBITNWSA-N	324.383	2.442	10	50	DECA	
O=C1NC[C@]2(CCCN(Cc3cc(Cl)c(F)cc3O)C2)O1	952874672	LKEWTSNLRKGMOQ-AWEZNQCLSA-N	314.744	2.259	10	50	DECA	
Cc1ccccc1S(=O)(=O)Nc1ccc(O)c([N+](=O)[O-])c1	753522512	SITNJMBPZASVEG-UHFFFAOYSA-N	308.315	2.410	10	50	DECA	
CCCCn1c(O)c(C(=O)[n+]2ccccc2)c(=O)c2ccccc21	5591195	MFGIWBGCPMZSQE-UHFFFAOYSA-O	323.372	2.483	10	50	DECA	
O=C(/C=C/c1ccc(O)c(O)c1)N1CC[C@@H](c2ccon2)C1	1875278966	QVAQAVSMLQSAFH-FXMSTWTQSA-N	300.314	2.115	10	50	DECA	
CCN(CCn1cccn1)C(=O)N[C@@H](C)c1ccccc1O	534676847	AFNSWYPEHOKYIE-ZDUSSCGKSA-N	302.378	2.381	10	50	DECA	
Cc1cc(=O)oc2c(CN3C[C@H](C)O[C@@H](C)C3)c(O)ccc12	19566621	WBYAFENTWYUJID-RYUDHWBXSA-N	303.358	2.416	10	50	DECA	biogenic
Cc1nnc([C@@H]2COCCN2Cc2ccc(N(C)C)c(C)c2)o1	293995082	FRGVDUUEOOABSB-INIZCTEOSA-N	316.405	2.326	10	50	DECA	
CCCCN/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	19595378	SAMCENNCNDTIAA-XFXZXTDPSA-N	321.764	2.196	10	50	DECA	
COc1cc(C=C2C(=O)OC(C)(C)OC2=O)cc(Cl)c1O	2941268	UEEBGIAKZDIXFW-UHFFFAOYSA-N	312.705	2.274	10	50	DECA	
CCNC(NCC)=C1SC(=S)N(c2ccccc2)C1=O	170602600	OFUDEKXXUHZHEZ-UHFFFAOYSA-N	307.444	2.439	10	50	DECA	
Nc1ccc(CC(=O)N2CCC[C@]3(CCc4c[nH]nc43)C2)cc1	1775984291	NEQNZWWIAQMBKT-SFHVURJKSA-N	310.401	2.041	10	50	DECA	
CC(=O)NC1(Nc2ccc(C)cc2)C(=O)c2ccccc2C1=O	433477	NMCZINREHLREOP-UHFFFAOYSA-N	308.337	2.319	10	50	DECA	
CNc1ncccc1C(=O)N[C@H](C)c1cc(OC)ccc1O	1358047045	TVSZNZYTEQUPJD-SNVBAGLBSA-N	301.346	2.329	10	50	DECA	
CC(C)([N+](=O)[O-])/[N+](O)=N/c1nonc1NCc1ccccc1	225415707	DIRAGUOGVIYBAT-UHFFFAOYSA-N	307.290	2.180	10	50	DECA	
CN1C(=O)/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)SC1=S	4471660	GGVKJFWPSARSFS-XCVCLJGOSA-N	324.339	2.155	10	50	DECA	
COc1ccc(N2CCN(C[C@@H]3CCNC3)CC2(C)C)cc1	77471789	PCAPVYMLUTUKNL-OAHLLOKOSA-N	303.450	2.205	10	50	DECA	
CN1C(=O)NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O	4471460	COVHEPMKUOKWST-WQLSENKSSA-N	314.272	2.177	10	50	DECA	
O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1O	73719	FHOIAECWBFFBMZ-UHFFFAOYSA-N	311.290	2.030	10	50	DECA	
Cc1cc(=O)oc2c(CN[C@@H](C(=O)O)C(C)C)c(O)ccc12	42871	BBBNNWXWIBURGZ-CQSZACIVSA-N	305.330	2.006	10	50	DECA	biogenic
O=C(NCc1ccc(O)cc1O)c1ccnc(NC2CCC2)c1	910942508	DFMCAHUQEORXGQ-UHFFFAOYSA-N	313.357	2.387	10	50	DECA	
CO[C@@H]1CCOC[C@H]1NC(=O)c1c(C)c2cccc(C)c2n1C	426593567	FDZSZIUKWGWFSX-HUUCEWRRSA-N	316.401	2.329	10	50	DECA	
COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=S)N(C)C1=O	13550593	YURJBHNNFYBRBM-UXBLZVDNSA-N	310.356	2.434	10	50	DECA	
CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)C(C(=O)OC)=C1C	177828	LDFIGNWQGLQDJL-LCYFTJDESA-N	316.313	2.287	10	50	DECA	
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccccc3O)S2)C[C@@H](C)O1	5696360	WXAKZNMWICFPFG-WMNKIYBBSA-N	318.398	2.472	10	50	DECA	
COc1cccc(/C=C2/SC(=S)N([C@@H](C)C(=O)O)C2=O)c1	12381000	FJIUKWTXHQDLEI-LBTPYSACSA-N	323.395	2.370	10	50	DECA	
CO[C@@H](C)Cn1ccnc1-c1c(-c2cnn(C)c2)ccnc1O	2356147369	SVBWVBXWWRZYRE-NSHDSACASA-N	313.361	2.086	10	50	DECA	
OCC[C@H]1CN(Cc2ccccc2O)CCN1C1CCCC1	23360319	GZBOLFXVYZYZTI-KRWDZBQOSA-N	304.434	2.203	10	50	DECA	
CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@@H](O)[C@H]2C3)c1O	1775985778	QBBWMCYEBFZBOU-HFBAOOFYSA-N	307.365	2.469	10	50	DECA	
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/c1ccc[nH]1	100625880	OUPIWIIJFNLATO-SDNWHVSQSA-N	313.357	2.367	10	50	DECA	
COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccccc2)C1=O	4576945	WGHBNMJUOFSMMR-QBFSEMIESA-N	322.320	2.362	10	50	DECA	
Oc1ccc(F)cc1CNC[C@@H]1CCCN(c2ncccn2)C1	1875284728	JJPQDNMBGPZWGB-ZDUSSCGKSA-N	316.380	2.328	10	50	DECA	
COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OC	53844	QYKFXJGSUZEMRR-SDNWHVSQSA-N	324.336	2.165	10	50	DECA	
C/C(=C1/SC(=S)N(CC(=O)O)C1=O)c1ccc(O)cc1	2700349	UKABYQPIYSOYQN-XFFZJAGNSA-N	309.368	2.068	10	50	DECA	
Cn1nccc1[C@@H]1OCC[C@H]1CNCc1ccc2c(c1)CCO2	275452690	GQNOXWCXSFOISH-MAUKXSAKSA-N	313.401	2.222	10	50	DECA	
Cn1ccc2c(-c3cncc(SCC(=O)O)n3)ccnc21	72476952	VTHQJEJIWKBTTR-UHFFFAOYSA-N	300.343	2.207	10	50	DECA	
CN1C(=O)C[C@@H](NCc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1	583616667	YKYULMGQCGRZSJ-APWZRJJASA-N	323.396	2.078	10	50	DECA	
CC(=O)Oc1ccc2c(c1OC(C)=O)C(=O)c1ccccc1C2=O	3897279	JERBUBCQUQOHIC-UHFFFAOYSA-N	324.288	2.313	10	50	DECA	biogenic
O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(F)cc1	16309547	DFSXHVPQRYCHCW-UVTDQMKNSA-N	310.284	2.492	10	50	DECA	
CC[C@@]1(O)CCC[C@@H]2CN(C(=O)Cc3ccc(N)cc3)C[C@@H]21	1704338038	JPPXLEJVOFUEPL-UWWQBHOKSA-N	302.418	2.211	10	50	DECA	
COc1ccc(N2CC3(C2)CN(c2nc(C)ns2)C3)cc1	2356152051	OEXYVVZQSXAHPL-UHFFFAOYSA-N	302.403	2.182	10	50	DECA	
Cc1cc(=O)oc2c(CN3CCOCC3)c(O)c(Cl)cc12	19791726	RYPSGQSBXRSOHJ-UHFFFAOYSA-N	309.749	2.293	10	50	DECA	biogenic
Cc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)o1	453905	PWEZDEWIFUSBBL-LCYFTJDESA-N	302.330	2.383	10	50	DECA	
COCCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S	6180168	SCNPLQZVMJRWKK-DHZHZOJOSA-N	324.383	2.442	10	50	DECA	
Cc1cccc(N2C(=O)NC(=O)/C(=C/c3cccn3C)C2=O)c1C	4845826	AQMAOYRSEDUWED-UVTDQMKNSA-N	323.352	2.308	10	50	DECA	
COC(=O)CN1C(=O)/C(=C\c2ccccc2F)SC1=S	4860564	BBPWXKHDBKHMNU-UXBLZVDNSA-N	311.359	2.200	10	50	DECA	
COc1cc(Br)cc(CN2CCC(O)CC2)c1O	23282159	GTYWWIWMPWAHQA-UHFFFAOYSA-N	316.195	2.120	10	50	DECA	
Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12	19789533	MRRIFYRIMPPXSU-UHFFFAOYSA-N	322.792	2.208	10	50	DECA	aggregator
CCOc1ccc(Cl)cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	2955749	CNMOXNZBEIPKJJ-UHFFFAOYSA-N	322.748	2.173	10	50	DECA	
Cc1cc(=O)oc2c(CN[C@H](CC(C)C)C(=O)O)c(O)ccc12	44087	YPJLUCAXHFPZJD-CYBMUJFWSA-N	319.357	2.396	10	50	DECA	biogenic
Cc1ccccc1[C@@H](C(=O)NCc1ccc(O)cc1O)N(C)C	95496921	FFJIZNGUSSHGAJ-KRWDZBQOSA-N	314.385	2.325	10	50	DECA	
O=C1NN=C(C(F)(F)F)C1=CNCc1ccccc1Cl	2040751039	VGANXPBHMNRFFE-UHFFFAOYSA-N	303.671	2.362	10	50	DECA	
CCCCOc1ccccc1C=C1C(=O)N(C)C(=O)N(C)C1=O	3460787	RZILZHYTWDQRFT-UHFFFAOYSA-N	316.357	2.299	10	50	DECA	
Cc1cc(O)ccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1	4036425	RHJZHPNLPOHLFP-UHFFFAOYSA-N	308.315	2.410	10	50	DECA	
Cc1cccc([C@H](C(=O)NCc2ccc(O)cc2O)N(C)C)c1	95382729	ZLPNTUWBOUAETE-QGZVFWFLSA-N	314.385	2.325	10	50	DECA	
c1cc2c(cc1N1CCC(N3CCSCC3)CC1)OCO2	952964865	ALJIDGJZPMSGRI-UHFFFAOYSA-N	306.431	2.433	10	50	DECA	
CC1(C)OC(=O)C(=Cc2occc2Br)C(=O)O1	2144048	GAGSKODGUVLMEB-UHFFFAOYSA-N	301.092	2.262	10	50	DECA	
C[C@@H](CSC(=S)NCc1ccccc1)S(C)(=O)=O	2325772714	UIYZSOWZCLFGSO-JTQLQIEISA-N	303.474	2.227	10	50	DECA	
C[C@]12CC[C@@H]3c4cc(O)c(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O	25757123	ZUGCDOZAVASBQT-SLVREZFOSA-N	304.386	2.286	10	50	DECA	
COc1cccc(O)c1CN1CCN(C2CCCCC2)C(=O)C1	65375863	UXJIGBFIDNHRTE-UHFFFAOYSA-N	318.417	2.378	10	50	DECA	
Cc1n[nH]cc1-n1ccnc1-c1ccc(N2CCN(C)CC2)cc1	1857691650	ULIDDQCIKGSHGT-UHFFFAOYSA-N	322.416	2.323	10	50	DECA	
CCN1C(=O)/C(=C\c2ccc(C(=O)O)cc2)C(C(=O)OC)=C1C	3462612	NHYTYYJIUXWYNA-LCYFTJDESA-N	315.325	2.077	10	50	DECA	
Oc1ccc(F)cc1CNC[C@H]1CCCN(c2ncccn2)C1	1875284727	JJPQDNMBGPZWGB-CYBMUJFWSA-N	316.380	2.328	10	50	DECA	
O=C(Cc1cnn(-c2ccccc2)c1)c1ccc(O)c(O)c1O	314992	DUNQZZMQXKCENE-UHFFFAOYSA-N	310.309	2.415	10	50	DECA	
COc1ccc2c(C=C3C(=O)N(C)C(=O)N(C)C3=O)cccc2c1	253426775	IUSNGQPCSMGSDL-UHFFFAOYSA-N	324.336	2.282	10	50	DECA	
CCc1cnc(N2CCN(Cc3ccc(F)cc3O)CC2)nc1	65454439	AQYXNSMDHAUFMG-UHFFFAOYSA-N	316.380	2.206	10	50	DECA	
C[C@@H](C(=O)O)N1C(=O)/C(=C/c2cccc(O)c2)SC1=S	1213687	ZUHLOKNILGGVCY-LOBLAWFCSA-N	309.368	2.067	10	50	DECA	
CC(C)(C)OC(=O)CCOCCOCCOCCN=[N+]=[N-]	79016641	QUSLQIYNPWASRR-UHFFFAOYSA-N	303.359	2.078	10	50	DECA	in-vitro
C[C@H](C(=O)O)N1C(=O)/C(=C\Nc2ccccc2)SC1=S	4498016	UVVSUPAFRDSLTD-RYGSOJJJSA-N	308.384	2.273	10	50	DECA	
O=C(CSc1nc(-c2ccco2)n[nH]1)c1ccc(O)c(O)c1	2501169	YSRCAUJGAQEAHE-UHFFFAOYSA-N	317.326	2.451	10	50	DECA	
O=C1N=C(N2CCN3CCC[C@H]3C2)S/C1=C/c1ccccc1	20607878	YQRSFQXYLCBEBA-AYYGCFCKSA-N	313.426	2.437	10	50	DECA	
CN1CCc2cc(CN[C@H]3CCO[C@@H]3c3nccn3C)ccc21	328651031	VUCFHNVVPADMKM-RDJZCZTQSA-N	312.417	2.032	10	50	DECA	
COc1cccc(CNC(=O)[C@@H]2CC[C@@H]3CCCCN32)c1O	824798181	IAAVXLZAMNGSST-KBPBESRZSA-N	304.390	2.034	10	50	DECA	
CCN(CC)c1ncc(C=C2C(=O)OC(C)(C)OC2=O)s1	1386486	PPHANGSJHUGSNZ-UHFFFAOYSA-N	310.375	2.209	10	50	DECA	
CO[C@H]1COC[C@@H]1NC1CCN(c2ccc3c(c2)CCC3)CC1	824506719	OKHRZEUFCZRFTK-OALUTQOASA-N	316.445	2.148	10	50	DECA	
Cc1ccc(N2NC(=O)/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1	274235	FGFGJUUMGYANSW-RIYZIHGNSA-N	322.320	2.185	10	50	DECA	
CSc1ccc(/C=C2/SC(N(C)CCO)=NC2=O)cc1	12949735	QOPBKGZWQSGRGT-FMIVXFBMSA-N	308.428	2.303	10	50	DECA	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2nonc12	6699780	QNBLFMISMUWWFB-JTQLQIEISA-N	315.354	2.363	10	50	DECA	
Oc1ccc(O)c(CNc2nc(C3CCOCC3)ns2)c1	1164046228	DJUWORMUBJBKLA-UHFFFAOYSA-N	307.375	2.455	10	50	DECA	
Cc1cc(=O)oc2c(CN[C@@H](CC(C)C)C(=O)O)c(O)ccc12	44086	YPJLUCAXHFPZJD-ZDUSSCGKSA-N	319.357	2.396	10	50	DECA	biogenic,in-vitro
COc1ccc(N2CCC(NCc3nonc3C)CC2)cc1	584891895	WFUKREPUZNSTPG-UHFFFAOYSA-N	302.378	2.145	10	50	DECA	
COc1ccc(N2CCN(Cc3nonc3C)[C@@H](C)C2)cc1	670463616	KCJPWVCUTHDYCS-LBPRGKRZSA-N	302.378	2.097	10	50	DECA	
COc1cccc(O)c1[C@H](C)NCCN1CCC(N(C)C)CC1	1615587954	MJONCFLWWVOZNS-AWEZNQCLSA-N	321.465	2.077	10	50	DECA	
CCN(c1ccccc1)S(=O)(=O)c1cccc2nonc12	215302	JPKFXFOWVRYCKI-UHFFFAOYSA-N	303.343	2.438	10	50	DECA	
C[C@@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O	8469520	QWHQRWSTIDVINF-SECBINFHSA-N	313.309	2.215	10	50	DECA	
CC1(C)OC(=O)C(=Cc2cccn2-c2nccs2)C(=O)O1	1390336	DFGZSMHIFKITMW-UHFFFAOYSA-N	304.327	2.153	10	50	DECA	
CCCC12CN3CC(C)(CN(C1)C3c1ccccc1O)C2=O	19322259	CLFWXCTZHKCXSI-UHFFFAOYSA-N	300.402	2.398	10	50	DECA	biogenic
COc1ccc(N2CC3(CN(Cc4cnsc4)C3)C2)cc1	2100555341	RPUSQSRUSOJOTQ-UHFFFAOYSA-N	301.415	2.474	10	50	DECA	
Cc1ccc(N2C(=O)/C(=C\c3ccc[nH]3)C(=O)NC2=S)cc1	35973929	VDTUFNIBDBOAJH-LCYFTJDESA-N	311.366	2.154	10	50	DECA	
COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1	88358	MCTVFDWTRXLOPK-RVDMUPIBSA-N	324.336	2.165	10	50	DECA	
COc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)c(OC)c1	4826995	XYDVRGQYEFIELE-UHFFFAOYSA-N	317.297	2.360	10	50	DECA	
CN1CCc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc21	583616623	UAWFZGLSYIJHCA-YJBOKZPZSA-N	312.417	2.032	10	50	DECA	
CC[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S	5809241	DLJAWAOAHJQVKI-CMWXKVOJSA-N	308.384	2.146	10	50	DECA	
COC(=O)c1cc(OC[C@@H]2C[N@@]2CC2CC2)ccc1N(C)C	1875385082	MNPYQPWYVJGKHK-ORAYPTAESA-N	304.390	2.012	10	50	DECA	
CC(=O)Nc1ccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1	6262395	QEFAFYOZLJUIRT-LFIBNONCSA-N	321.336	2.106	10	50	DECA	
CN(C)c1ccc(/C=C2/SC(N3CCOCC3)=NC2=O)cc1	49947	UKGZFYRVZKIRSP-SDNWHVSQSA-N	317.414	2.055	10	50	DECA	
Cc1ccc(N2C(=O)/C(=C/c3ccco3)C(=O)NC2=S)cc1	445996	TWJIGPQEUWZACZ-UKTHLTGXSA-N	312.350	2.419	10	50	DECA	
CN1CCN(Cc2c(O)ccc3c2oc(=O)c2ccccc23)CC1	19789535	NWHFPTVSFCZSAL-UHFFFAOYSA-N	324.380	2.399	10	50	DECA	
Cc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1O	456131	IBMWEGORLKMDCL-UHFFFAOYSA-N	308.315	2.410	10	50	DECA	
COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)O)C2=O)cc1	966962	YBNLZBUAKSWHPM-XNYAHFKXSA-N	323.395	2.370	10	50	DECA	
CCN1C(=O)/C(=C\c2ccc(N(C)C)cc2)C(C(=O)OC)=C1C	113054	FBPSPGSEWZLAHP-PTNGSMBKSA-N	314.385	2.445	10	50	DECA	
O=C1N=C(N2CCN3CCC[C@@H]3C2)S/C1=C/c1ccccc1	20607876	YQRSFQXYLCBEBA-XDPMZMSMSA-N	313.426	2.437	10	50	DECA	
Cc1nn(C)c2ncc(NC(=O)NCc3ccccc3O)cc12	748443658	PKKQSSVGKFRHCH-UHFFFAOYSA-N	311.345	2.304	10	50	DECA	
Cn1cc(CNC(=O)c2cccc(O)c2O)c(-c2ccccc2)n1	193159041	CJWYEVFBBYKUNL-UHFFFAOYSA-N	323.352	2.428	10	50	DECA	
CCN1C(=O)/C(=C\Nc2ccc(C)c(Cl)c2)C(=O)NC1=S	6493572	GWHLTMNXEBTQQM-YFHOEESVSA-N	323.805	2.207	10	50	DECA	
COC1(OC)CCOC[C@H]1CCNCc1ccc2c(c1)CCO2	952993504	YNDICRGVIZHUFU-MRXNPFEDSA-N	321.417	2.127	10	50	DECA	
CN(C)c1ccc(CNC(=O)c2cnn3c2CCCC3)cc1F	126491540	TUWZDUDFUOWGJI-UHFFFAOYSA-N	316.380	2.355	10	50	DECA	
Nc1ccc(N=Nc2ccc(N(CCO)CCO)cc2)cc1	254836425	NZKTVPCPQIEVQT-UHFFFAOYSA-N	300.362	2.475	10	50	DECA	
Oc1ccc(Cl)cc1CN1CCC[C@H](N2CCOCC2)C1	22853450	LUNPGGYLJJSZJV-HNNXBMFYSA-N	310.825	2.342	10	50	DECA	
Cn1ccc2c(-c3cncc(C(=O)N4CCCC4)n3)ccnc21	72166932	YXWMHACAPYTRDU-UHFFFAOYSA-N	307.357	2.266	10	50	DECA	
COc1ccc(O)c(CNC(=O)c2cccc3c2CCOC3)c1	934942163	KCFPVIAQIWGOFS-UHFFFAOYSA-N	313.353	2.404	10	50	DECA	
Cc1cc(F)ccc1NS(=O)(=O)c1cccc2nonc12	6726785	UXLAXNGJNVLYKS-UHFFFAOYSA-N	307.306	2.471	10	50	DECA	
COc1ccccc1/C=C1\SC(=S)N(CCC(=O)O)C1=O	12504548	JFEIZQQPGKDPTD-FLIBITNWSA-N	323.395	2.371	10	50	DECA	
CC(C)N1CCN(Cc2cc(Cl)ccc2O)C[C@@H]1CCO	20452315	BFVHJOGMSZHNBT-HNNXBMFYSA-N	312.841	2.323	10	50	DECA	
O=S(=O)(Nc1cc(F)ccc1F)c1cccc2nonc12	6699464	SKLMLYILNLHCKQ-UHFFFAOYSA-N	311.269	2.302	10	50	DECA	
Cc1cc(N(C)C)ccc1CNC(=O)c1cc(O)cc(O)c1	134137877	NXJQZAMZGZRNAC-UHFFFAOYSA-N	300.358	2.402	10	50	DECA	
[N-]=[N+]=NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1	22008713	FQUBFDDPWLBKIZ-NSHDSACASA-N	321.312	2.298	10	50	DECA	in-vitro
Cc1c(C(=O)N[C@H](C(N)=O)C(C)C)n(C)c2c(C)cccc12	426544608	AVCRBOPFMZLWSH-ZDUSSCGKSA-N	301.390	2.035	10	50	DECA	
COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(OC)c1	16215427	PBMKCAWMIBFDTC-GDNBJRDFSA-N	324.336	2.165	10	50	DECA	
CCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12	20230583	PVRGDLAYHXRZFR-UHFFFAOYSA-N	303.358	2.283	10	50	DECA	
CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C	113061	HOOIMVGREKMMCL-GHXNOFRVSA-N	315.325	2.108	10	50	DECA	
Cc1cc(=O)oc2c(CN3C[C@H](C)O[C@H](C)C3)c(O)ccc12	12444965	WBYAFENTWYUJID-TXEJJXNPSA-N	303.358	2.416	10	50	DECA	biogenic
Cc1c(C(=O)N2C[C@H]3C(=O)OC[C@H]3C2)n(C)c2c(C)cccc12	2356136666	DKCBAALQTXLBCC-TZMCWYRMSA-N	312.369	2.040	10	50	DECA	
CO[C@@]1(C(=O)O)CCN(Cc2ccc(C(C)(C)C)cc2O)C1	2325792862	REOFQTHPRRODQC-KRWDZBQOSA-N	307.390	2.365	10	50	DECA	
CC[C@H](C)Oc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	460426	VNFFBZZAJIJFMG-QMMMGPOBSA-N	322.748	2.267	10	50	DECA	
CCc1ccc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)cc1	73705	DTUDRWUOESNGLC-UHFFFAOYSA-N	321.354	2.454	10	50	DECA	
COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1	15659226	XZYDYKLSEHTVJM-RVDMUPIBSA-N	322.320	2.362	10	50	DECA	
O=c1oc2c(CN3CCOCC3)c(O)ccc2c2ccccc12	19789530	KCLFRHGSQKKHMU-UHFFFAOYSA-N	311.337	2.484	10	50	DECA	
O=C1NN=C(C(F)(F)F)C1=CNCc1cccc(Cl)c1	2038155207	MJSSWXHPBDHTEX-UHFFFAOYSA-N	303.671	2.362	10	50	DECA	
CC1=NN(c2ccccc2)C(=O)/C1=C\NNc1nc(C)cc(C)n1	334160281	AAXZOGFEXYWGHK-GDNBJRDFSA-N	322.372	2.317	10	50	DECA	
O=S(=O)(O)c1ccc(O)c(/N=N/c2ccc(O)cc2O)c1	4428463	NOYGQBBPVKLDQU-BUHFOSPRSA-N	310.287	2.466	10	50	DECA	
Cc1ccccc1-n1c(C)cc(C(=O)NS(C)(=O)=O)c1C	1875390841	UFCJWOQJUVRJNA-UHFFFAOYSA-N	306.387	2.092	10	50	DECA	
CC[C@H](NC(=O)c1ccc(/N=N/C(N)=O)cc1)[C@@H](O)C(C)C	1875268811	ILBDWPQPJSOLLL-OBHHLLIZSA-N	306.366	2.374	10	50	DECA	
OC[C@@]1(NCc2ccc3c(c2)CCO3)CCOc2ccccc21	225649650	CXKJLTVOZWRTBJ-IBGZPJMESA-N	311.381	2.381	10	50	DECA	
Oc1ccc(F)cc1CNc1ccc(CN2CCOCC2)cn1	1875284967	XINQTAKDQYYOFI-UHFFFAOYSA-N	317.364	2.371	10	50	DECA	
O=C1N=C(Nc2cccnc2)S/C1=C1\C(=O)Nc2ccccc21	5090784	AVCUHHQEQNPAFX-SEYXRHQNSA-N	322.349	2.486	10	50	DECA	
CCN(CC)c1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1	182983	KAGGUGYOLGZPGB-OAHLLOKOSA-N	317.389	2.334	10	50	DECA	
Cc1c(C)c2cc(CN3CCN(C)CC3)c(O)c(C)c2oc1=O	20412213	XWODARNIAWIHSE-UHFFFAOYSA-N	316.401	2.171	10	50	DECA	
CCO[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)C1	225578883	WBTFRSFFKWXYEI-GXTWGEPZSA-N	307.390	2.304	10	50	DECA	
CN(C)c1ccc(/C=C/CN2CCN(c3ncccn3)CC2)cc1	23282047	PTOFDXIDYVBFRR-HWKANZROSA-N	323.444	2.378	10	50	DECA	
CCN1C(=O)/C(=C\Nc2cccc(Cl)c2C)C(=O)NC1=S	5817813	QQZMCEURFKERPB-CLFYSBASSA-N	323.805	2.207	10	50	DECA	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3ccccc3O)S2)C[C@@H](C)O1	5696379	WXAKZNMWICFPFG-PRRORJFTSA-N	318.398	2.472	10	50	DECA	
COc1ccc(O)c(CNC(=O)c2cc(C(F)F)n(C)n2)c1	934942957	RUSZHIKIPLOYCG-UHFFFAOYSA-N	311.288	2.002	10	50	DECA	
CC(C)(C)c1ccc(CN2C[C@@H]3CCO[C@]3(C(=O)O)C2)c(O)c1	2325792996	BDACEAWVYUYUQN-KBXCAEBGSA-N	319.401	2.365	10	50	DECA	
CC[C@H](NC(=O)c1ccc(/N=N/C(N)=O)cc1)[C@H](O)C(C)C	1875268810	ILBDWPQPJSOLLL-ILRMXLBASA-N	306.366	2.374	10	50	DECA	
Oc1ccc(CCCCNC[C@H](O)c2ccc(O)c(O)c2)cc1	1537194	IIRWWTKISYTTBL-SFHVURJKSA-N	317.385	2.449	10	50	DECA	world
COc1ccc([C@]23NCCCN2C(=O)c2ccccc23)c(O)c1	71782946	YPBOBFSCDHHQFC-GOSISDBHSA-N	310.353	2.051	10	50	DECA	
COc1ccc(N2CCCN(C(=O)C[C@@H](O)C(C)C)CC2)cc1	156791193	SJLNRLAUVXJAGG-QGZVFWFLSA-N	320.433	2.141	10	50	DECA	
CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N=C2O)cc1	17729070	UWGKOXLKMHPSTG-UHFFFAOYSA-N	303.387	2.287	10	50	DECA	
O=C1NC(=S)NC(=O)C1=Cc1ccc(-c2ccccc2F)o1	82365	KNNSZJMQBNVGHU-UHFFFAOYSA-N	316.313	2.000	10	50	DECA	
COC(=O)C1=C(C)NC(=O)/C1=C\c1cccc(Br)c1	112548	PSQWEVGHXMIKOI-XFFZJAGNSA-N	322.158	2.409	10	50	DECA	
COc1ccccc1[C@H](Nn1cnnc1)c1cccc(F)c1O	22018998	SPXZWCAJRKSTBG-HNNXBMFYSA-N	314.320	2.465	10	50	DECA	
COc1ccc2ccccc2c1C=C1C(=O)N(C)C(=O)N(C)C1=O	2848799	JZRIAEVCXYHDQM-UHFFFAOYSA-N	324.336	2.282	10	50	DECA	
COc1ccc(N(CC(=O)O)CC(=O)NC2CCCCC2)cc1	34926489	TWEANAGEMUFEHO-UHFFFAOYSA-N	320.389	2.035	10	50	DECA	
CCc1c(C)nc(N)nc1NCCSCc1nc[nH]c1C	95363744	ZGHXSOHEJFQFMV-UHFFFAOYSA-N	306.439	2.306	10	50	DECA	
COc1ccc(N2CCN(C(=O)NCc3ccco3)CC2)cc1	9969120	VJQZILLEMSWEDQ-UHFFFAOYSA-N	315.373	2.320	10	50	DECA	
CN1C(=O)C(=Cc2ccc(Cl)cc2Cl)C(=O)N(C)C1=O	2837190	KCADHSMAIRDXNJ-UHFFFAOYSA-N	313.140	2.427	10	50	DECA	
COCc1cc(CNCCN=c2cc[nH]cc2C)ccc1OC	952992158	ZRBZNTJDALTBSG-UHFFFAOYSA-N	315.417	2.169	10	50	DECA	
CCCN(CCO)Cc1cc(Br)cc(OC)c1O	4987770	GJPWXBVTQTZSIE-UHFFFAOYSA-N	318.211	2.368	10	50	DECA	
C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(O)cc2)SC1=S	1304739	NOXFPQYJWMPYFL-LOBLAWFCSA-N	309.368	2.067	10	50	DECA	
Oc1cccc(CNc2nc(C3CCOCC3)ns2)c1O	1615615729	VODMAQAKDMVCEN-UHFFFAOYSA-N	307.375	2.455	10	50	DECA	
CCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1Cl	2961340	HMFDLPTWBWPVBO-UHFFFAOYSA-N	322.748	2.173	10	50	DECA	
COCC1=NNC(=O)C1=CNc1cc(Cl)cc(Cl)c1	1857777776	RXMMHDHTEPBBGK-UHFFFAOYSA-N	300.145	2.421	10	50	DECA	
C[C@@H](NCc1cncn1C)c1ccc(N2CCOCC2)cc1	237364836	YBHUPJMXFNOFHB-CQSZACIVSA-N	300.406	2.108	10	50	DECA	
CCN(CCC(=O)O)Cc1cc(Br)ccc1O	231701992	ALPDJGHZQTVRQK-UHFFFAOYSA-N	302.168	2.451	10	50	DECA	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C\c1ccccc1	4696514	MHDKAEAXOMQUET-PTNGSMBKSA-N	306.321	2.349	10	50	DECA	
CN(C)C/C=C/C(=O)NCc1cc(Cl)c2cccnc2c1O	1875376751	HGYRZCDRUYVUPC-GQCTYLIASA-N	319.792	2.328	10	50	DECA	
COc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1	212841	NFDXZOWSHXPFCF-UHFFFAOYSA-N	305.315	2.032	10	50	DECA	
Cc1ccc(N2NC(=O)/C(=C/c3ccccc3O)C2=O)cc1C	4997092	GFENLIQQGWVUGL-GDNBJRDFSA-N	308.337	2.470	10	50	DECA	
CN1CCN(c2ccc(CNC(=O)OC(C)(C)C)cc2)CC1	71702239	GNPWLFHOGGEZQW-UHFFFAOYSA-N	305.422	2.463	10	50	DECA	
COC(=O)c1cc(OC[C@H]2C[N@]2CC2CC2)ccc1N(C)C	1875385083	MNPYQPWYVJGKHK-YJYMSZOUSA-N	304.390	2.012	10	50	DECA	
COc1ccc(N2CCN(c3cc(N)ncn3)CC2(C)C)cc1	96166523	GACKAJSUZRXGHU-UHFFFAOYSA-N	313.405	2.173	10	50	DECA	
COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(OC)c1	6641179	DRSLCJJCFHISCX-MHWRWJLKSA-N	324.336	2.165	10	50	DECA	
CC(C)N1CCc2cc(CN3CCC[C@@H](C(N)=O)C3)ccc21	16266238	SLZGCZRAIAGKSA-MRXNPFEDSA-N	301.434	2.155	10	50	DECA	
C[C@@H]1CN(C2=NC(=O)C(=Cc3ccncc3)S2)C[C@@H](C)O1	2049286298	LBTGLQQURCGEBX-GHMZBOCLSA-N	303.387	2.161	10	50	DECA	
CCc1cccc(CC)c1NC=C1C(=O)N(C)C(=O)N(C)C1=O	6574262	YMGZCEDMBUNCAF-UHFFFAOYSA-N	315.373	2.158	10	50	DECA	
O=C(O)CCN1C(=O)/C(=C/c2cccc(O)c2)SC1=S	1210154	IAZBFDQQOLGJTA-YFHOEESVSA-N	309.368	2.068	10	50	DECA	
COc1cccc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)c1	16225367	QKDXFGUNFUIKDT-WJDWOHSUSA-N	308.337	2.465	10	50	DECA	
N/C=C1/C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F	100289358	BHILJLHEMCRAML-AATRIKPKSA-N	312.276	2.404	10	50	DECA	
CO[C@H](C)Cn1ccnc1-c1c(-c2cnn(C)c2)ccnc1O	2356147368	SVBWVBXWWRZYRE-LLVKDONJSA-N	313.361	2.086	10	50	DECA	
Cc1cc(C(=O)N2CC[C@@H](N)C2)c(C)n1-c1cccc(F)c1	160250579	BBKINRJSNLVLNI-CQSZACIVSA-N	301.365	2.406	10	50	DECA	
CCc1ccc(N2NC(=O)/C(=C\c3ccc(O)cc3)C2=O)cc1	206330567	JHODQYPEIJUZJH-LFIBNONCSA-N	308.337	2.416	10	50	DECA	
O=C1NC[C@@]2(CCCN(Cc3cc(Cl)c(F)cc3O)C2)O1	952874673	LKEWTSNLRKGMOQ-CQSZACIVSA-N	314.744	2.259	10	50	DECA	
CCCCOc1ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)cc1	2967562	SQMKMIPOMUYEMM-UHFFFAOYSA-N	316.357	2.299	10	50	DECA	
Cc1cc2oc(=O)c3c(c2c(O)c1CN1CCOCC1)CCC3	28120530	VIGUYXQJHGSFMZ-UHFFFAOYSA-N	315.369	2.128	10	50	DECA	
CCN(CCO)Cc1cc(-c2cccc(OC)n2)ccc1O	20776581	LOPIAOBRIUYQQR-UHFFFAOYSA-N	302.374	2.277	10	50	DECA	
CN(C)[C@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1F	95372687	SWYUMVDTFNLJCA-INIZCTEOSA-N	318.348	2.156	10	50	DECA	
O=C(O)c1cc(O)ccc1NC(=O)c1ccccc1[N+](=O)[O-]	1233419	XPAJBTDFNXLVLL-UHFFFAOYSA-N	302.242	2.251	10	50	DECA	
CCN1CCN(C2=NC(=O)/C(=C/c3ccc(C)o3)S2)CC1	19842088	AYAXXJNQSVDCMI-RAXLEYEMSA-N	305.403	2.196	10	50	DECA	
CC(=O)c1cc(F)cc(CN2CC[C@H]3CC[C@H](O)[C@H]2C3)c1O	1775985779	QBBWMCYEBFZBOU-LYRGGWFBSA-N	307.365	2.469	10	50	DECA	
CCc1nccn1[C@H](C)CC(=O)NCc1c(O)cccc1O	1472063210	FKAHJGYMCLCDQY-LLVKDONJSA-N	303.362	2.124	10	50	DECA	
COCCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C	2812091	NKTGMAYXDSRFSP-XFXZXTDPSA-N	307.371	2.067	10	50	DECA	
COc1cccc(CNC(=O)[C@H]2CC[C@@H]3CCCCN32)c1O	824798183	IAAVXLZAMNGSST-UONOGXRCSA-N	304.390	2.034	10	50	DECA	
Cc1cc(O)n2ncc(C(=O)N3CC4(CCCCC4)C3)c2n1	1875393190	ACXICEXSIAEWFU-UHFFFAOYSA-N	300.362	2.150	10	50	DECA	
CN(C)[C@H](C(=O)NCc1ccc(O)cc1O)c1cccc(F)c1	95354941	JGPBNXRIGLWBKH-INIZCTEOSA-N	318.348	2.156	10	50	DECA	
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(N(C)C)cc1	9109663	UZVCADMHFJWQMP-CQSZACIVSA-N	319.430	2.109	10	50	DECA	
CCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])s2)C(O)=NC1=S	4371417	FVQLBIHAFGXEJD-FNORWQNLSA-N	311.344	2.143	10	50	DECA	
Cc1cnc(C)c(-c2ccc(O)c(CN3CCC[C@H](O)C3)c2)n1	19114297	DASULEXIUPVVSR-INIZCTEOSA-N	313.401	2.423	10	50	DECA	
COc1cc(Br)cc(CN(C)CCN(C)C)c1O	19632741	SCHHUTYPGYHNHE-UHFFFAOYSA-N	317.227	2.157	10	50	DECA	
CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\N1CCOCC1	12582854	XWLXHYRKDTVNSW-UVTDQMKNSA-N	305.765	2.279	10	50	DECA	
OC[C@@H]1CCCN(Cc2cc(Br)ccc2O)C1	23281197	KAEPIAULGMMCTL-SNVBAGLBSA-N	300.196	2.359	10	50	DECA	
Cc1cc(N2CCOCC2)ccc1/C=C1/SC(=S)NC1=O	1132345	SQCVAJVIILYOAM-UKTHLTGXSA-N	320.439	2.320	10	50	DECA	
Cc1cc(C(=O)O)c(C)n1-c1ccc(-c2cnc(=N)[nH]c2)cn1	2325817819	CONBEXBBYDZBML-UHFFFAOYSA-N	309.329	2.057	10	50	DECA	
CN1CCC(C(=O)NCc2ccc(N3CCCC3)cc2)CC1	71385435	RZFCPUSJUVYNMY-UHFFFAOYSA-N	301.434	2.245	10	50	DECA	
COC(=O)C1=C(C)NC(=O)/C1=C\c1ccc(Br)cc1	445859	BWPVJJIZLFRNTD-XFFZJAGNSA-N	322.158	2.409	10	50	DECA	
CN1CCC(N(C)Cc2cc(-c3cnccn3)ccc2O)CC1	11966485	ANEYCWKPGQWXCZ-UHFFFAOYSA-N	312.417	2.375	10	50	DECA	
O=C(O)/C=C/c1c(F)c(F)c(N2CCOCC2)c(F)c1F	12343608	GHRHYRRZGXHVMH-OWOJBTEDSA-N	305.227	2.177	10	50	DECA	
Cc1cc(C(=O)N2CC[C@@H](N)C2)c(C)n1-c1ccc(F)cc1	132522888	MVEDPJRIMUHXNW-CQSZACIVSA-N	301.365	2.406	10	50	DECA	
O=C1NC(=O)N(Cc2ccccc2)C(=O)/C1=C/c1ccc(F)cc1	312500	RBKBUIPTTXFLBP-XNTDXEJSSA-N	324.311	2.488	10	50	DECA	
CCN(CC)c1ccc(CN2[C@H]3CC[C@@H]2CC(=O)NC3)cc1	65506548	OAKGONGKUWLYLU-SJORKVTESA-N	301.434	2.386	10	50	DECA	
COc1ccccc1[C@@H](Nn1cnnc1)c1cccc(F)c1O	22018996	SPXZWCAJRKSTBG-OAHLLOKOSA-N	314.320	2.465	10	50	DECA	
Nc1ccc(CC(=O)N2C[C@H](c3ccccc3)[C@@H](C(=O)O)C2)cc1	585139275	YIOCTTONGAIOQA-SJORKVTESA-N	324.380	2.138	10	50	DECA	
Cc1cc(=O)oc2c(CN3C[C@@H](C)O[C@H](C)C3)c(O)ccc12	19566613	WBYAFENTWYUJID-VXGBXAGGSA-N	303.358	2.416	10	50	DECA	biogenic
C[C@H]1CN(C2=NC(=O)/C(=C\c3ccc(O)cc3)S2)C[C@H](C)O1	13533172	VMDWJVZCKMYDND-UDDXXMGHSA-N	318.398	2.472	10	50	DECA	
O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1	2994788	OCWBWODESHDVPQ-GXDHUFHOSA-N	308.293	2.059	10	50	DECA	
CCCCCCN/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	19595331	GMQCRBODLCABIH-OWBHPGMISA-N	315.373	2.323	10	50	DECA	
CC[C@@H](NC(=O)c1ccc(/N=N/C(N)=O)cc1)[C@H](O)C(C)C	1875268812	ILBDWPQPJSOLLL-QMMPLDEZSA-N	306.366	2.374	10	50	DECA	
COC(=O)CN1C(=O)/C(=C/c2ccc(C)cc2)SC1=S	1237714	PPVCYAKXEHVAEA-XFFZJAGNSA-N	307.396	2.369	10	50	DECA	
CC[C@H](N[C@H]1CCc2nc(COC)nn2C1)c1ccccc1O	156722172	UUZHJPRHPAOBBY-JSGCOSHPSA-N	316.405	2.186	10	50	DECA	
CN1CCC[C@@H](C(=O)NCc2ccc(N3CCCC3)cc2)C1	72117694	SQOIXSXAQXHEQR-MRXNPFEDSA-N	301.434	2.245	10	50	DECA	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C2/NC(=O)NC2=O)o1	72898	TURBDDXSHZASGX-KPKJPENVSA-N	312.281	2.134	10	50	DECA	
OCC[C@@H]1CN(Cc2ccccc2O)CCN1C1CCCC1	23360316	GZBOLFXVYZYZTI-QGZVFWFLSA-N	304.434	2.203	10	50	DECA	
CCO[C@H]1CCCN(C(=O)[C@@H](C)Cc2ccc(O)c(O)c2)C1	225578917	WBTFRSFFKWXYEI-JSGCOSHPSA-N	307.390	2.304	10	50	DECA	
Cc1ccc(/C=C2/SC(=S)N(CN3CCOCC3)C2=O)o1	20163978	CWRYGAFZJGFLJO-XYOKQWHBSA-N	324.427	2.079	10	50	DECA	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@H]1c1cccnc1	253370149	MRRSOHKBEKNRMF-BYCMXARLSA-N	312.369	2.344	10	50	DECA	
COc1ccc(/C=C2/C(=O)NN(c3cccc(C)c3)C2=O)cc1	16184139	LLAOIPTVWOEHLU-WJDWOHSUSA-N	308.337	2.465	10	50	DECA	
Cc1c(C(=O)NC2(C(N)=O)CCCC2)n(C)c2c(C)cccc12	426523407	HVODSXNPLSDHGH-UHFFFAOYSA-N	313.401	2.323	10	50	DECA	
C[C@H]1CN(Cc2cc([N+](=O)[O-])c3cccnc3c2O)C[C@H](C)O1	91322	JGKIBDZJQKSCDZ-QWRGUYRKSA-N	317.345	2.458	10	50	DECA	
C[C@@H]1CN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)C[C@@H](C)O1	12417978	VQLRERHSCJTSMR-PRRORJFTSA-N	318.398	2.472	10	50	DECA	
CC[C@H](C)[C@@H](NCc1c(O)ccc2c(C)cc(=O)oc12)C(=O)O	44085	DVPCIHZZWJUPQF-BJOHPYRUSA-N	319.357	2.396	10	50	DECA	biogenic
CCOc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(C)=O	13602041	DYXYSZITKNGJOS-GHXNOFRVSA-N	323.395	2.499	10	50	DECA	
C[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccc(O)c2)SC1=S	4784450	ZUHLOKNILGGVCY-FSEMZKDTSA-N	309.368	2.067	10	50	DECA	
CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)ccc1O	191852	JOYOMAFSELZVOP-GFCCVEGCSA-N	310.737	2.237	10	50	DECA	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@@H]1c1cccnc1	170599397	MRRSOHKBEKNRMF-DFBGVHRSSA-N	312.369	2.344	10	50	DECA	
CN(C(=O)c1c[nH]nc1[C@H]1CCCNC1)c1ccc(F)c(F)c1	643485239	APHIWYGAOQTWGK-JTQLQIEISA-N	320.343	2.432	10	50	DECA	
CN(C)Cc1cc(-c2nccn2C[C@@H]2CCCO2)ccc1O	82170913	OJPAOBHWMWWESM-HNNXBMFYSA-N	301.390	2.496	10	50	DECA	
CCOc1cccc(CN(CC)Cc2nc(COC)no2)c1O	55107717	UWHUXXVFUXMAID-UHFFFAOYSA-N	321.377	2.342	10	50	DECA	
COc1cc(/C=C2\SC(=S)NC2=O)ccc1OC(C)=O	15135173	KQKDLRDWGVKCGW-WDZFZDKYSA-N	309.368	2.109	10	50	DECA	
COc1ccc(N2CCC(N(C)[C@H](C)C(=O)N(C)C)CC2)cc1	65531365	OMLXJDKUADOWAB-CQSZACIVSA-N	319.449	2.073	10	50	DECA	
O=C(NCc1cccc(Cl)c1O)N[C@H]1CC12CCOCC2	1341684107	BBHRAGNEWHLKAS-LBPRGKRZSA-N	310.781	2.414	10	50	DECA	
COc1nc(-c2ccc3c(c2)OCO3)nn1-c1ccc(N)cc1	601014177	ARHKXVLWSKXGNF-UHFFFAOYSA-N	310.313	2.254	10	50	DECA	
CN(C)c1ccc2c(c1)CN(C(=O)[C@@H]1CCc3n[nH]cc3C1)CC2	1875258396	UCKANTNBVWWCSY-CQSZACIVSA-N	324.428	2.166	10	50	DECA	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1C[C@H]1c1cccnc1	253370150	MRRSOHKBEKNRMF-UGFHNGPFSA-N	312.369	2.344	10	50	DECA	
Oc1ccc(F)cc1CNc1cccc(CN2CCOCC2)n1	1875284752	KMMDFXXJUVOAKC-UHFFFAOYSA-N	317.364	2.371	10	50	DECA	
CCN1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C1C	441341	AKXKDEKDMRRLKH-LCYFTJDESA-N	316.313	2.287	10	50	DECA	
CN1CCc2cc([C@@H]3NC(N)=Nc4nc5ccccc5n43)ccc21	130152703	OCENSHXAUFUZLS-MRXNPFEDSA-N	318.384	2.125	10	50	DECA	
Cc1ccc(F)c(O)c1CNC[C@](C)(O)C(=O)OC(C)(C)C	1615605296	ABYWLTOHIUYTTQ-INIZCTEOSA-N	313.369	2.022	10	50	DECA	
COc1ccccc1/C=C1/SC(=S)N([C@H](C)C(=O)O)C1=O	16711892	IWDBBBIBRNNGFL-XAPLUZPNSA-N	323.395	2.370	10	50	DECA	
Cc1cccc(N2NC(=O)/C(=C/c3ccc4c(c3)OCO4)C2=O)c1	4890959	ITPOYPKFANVWTG-ZSOIEALJSA-N	322.320	2.185	10	50	DECA	
CC[C@@]12OC(=N)[C@@](C#N)([C@H]1C)C(C#N)(C#N)[C@@H](c1cccnc1)O2	5809452	FQCZZNYYISGEBC-MCPWVCTESA-N	321.340	2.446	10	50	DECA	
COc1ccc(O)c(CNC(=O)c2cnn(C3CCC3)c2)c1	934942411	OYHAQCORBMVXDN-UHFFFAOYSA-N	301.346	2.252	10	50	DECA	
COc1ccc(N2CCN(c3nc(CO)cs3)[C@H](C)C2)cc1	95374250	QZNVZEWYDYNWOI-GFCCVEGCSA-N	319.430	2.359	10	50	DECA	
O=C1/C(=C/c2ccccc2)SC(=S)N1CN1CCOCC1	19799059	PCPGDHZLCBLCAF-RAXLEYEMSA-N	320.439	2.178	10	50	DECA	
CN(C)[C@H]1C[C@H]2C[C@@H](N(C)C(=O)Cc3ccc(N)cc3)C[C@H]2C1	1529182000	SMVJHPPVTFGGSX-LVYXFOGZSA-N	315.461	2.389	10	50	DECA	
COCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S	2673072	WVIMAPLUBAIUDB-GHXNOFRVSA-N	323.395	2.263	10	50	DECA	
CC[C@@H](C)N/C=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O	19595303	FXTNOTQQCLWVSR-ZPBHHCQCSA-N	321.764	2.195	10	50	DECA	
COc1ccc(CCNC(=O)c2ccsc2N)cc1OC	6457930	IGXFRMKLHJYBMV-UHFFFAOYSA-N	306.387	2.320	10	50	DECA	
CN(CCCNC(=O)c1c(F)ccc(O)c1O)c1ccccc1	225615111	LUXGHJBNUUFHFN-UHFFFAOYSA-N	318.348	2.493	10	50	DECA	
CN(C)Cc1c(O)ccc(C(=O)COc2ccccc2)c1O	19912008	YVWPPPWERBFVRN-UHFFFAOYSA-N	301.342	2.421	10	50	DECA	
CC(C)CCCN/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O	19595393	RRKPZAOPJJAUTC-KAMYIIQDSA-N	315.373	2.179	10	50	DECA	
CC(C)Oc1c[nH]ccc1=NC(=O)NCc1c(O)cccc1F	934644397	BOJLTEZFYFUWIS-UHFFFAOYSA-N	319.336	2.457	10	50	DECA	
CC(C)N1CCN(Cc2cc(Cl)ccc2O)C[C@H]1CCO	828747045	BFVHJOGMSZHNBT-OAHLLOKOSA-N	312.841	2.323	10	50	DECA	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1C[C@@H]1c1cccnc1	170599395	MRRSOHKBEKNRMF-KCPJHIHWSA-N	312.369	2.344	10	50	DECA	
CN1CCN(c2ccc(CNC(=O)Cc3ccccc3)cc2)CC1	49740638	XCFZXJUFKAFDLK-UHFFFAOYSA-N	323.440	2.297	10	50	DECA	
Cc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)o1	15659320	LWBGSTXWFXJDIM-LCYFTJDESA-N	312.350	2.419	10	50	DECA	
COc1cc(OC)c2c(c1)C(=O)[C@H]1C[C@](C)(OC)OC[C@@H]1C2=O	299817878	XWDPPCCHTXTSRZ-NVGCLXPQSA-N	320.341	2.098	10	50	DECA	biogenic
C/C(O)=C1/C(=O)N(c2nc3ccccc3s2)N=C1CC(=O)O	100140230	YJHHUMAQRIUURV-GHXNOFRVSA-N	317.326	2.306	10	50	DECA	
COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1	13039781	PITKDZCHBCHKFH-RVDMUPIBSA-N	322.320	2.362	10	50	DECA	
CN1CCN(c2ccncc2NCc2cccc(F)c2O)CC1	1875284691	HIPNRKTXYMHPPG-UHFFFAOYSA-N	316.380	2.290	10	50	DECA	
COC(=O)C1=C(C)NC(=O)N[C@@H]1c1c(O)ccc2ccccc12	284075	QMEOVZJDOROKDD-HNNXBMFYSA-N	312.325	2.346	10	50	DECA	
Cn1ccnc1-c1cccc(CNC(=O)c2cccc(O)c2O)c1	365757940	LENWJBGMKGCEJC-UHFFFAOYSA-N	323.352	2.428	10	50	DECA	
COc1ccc(N(C)C)cc1S(=O)(=O)NCc1ccccc1	11565927	KIYVJQNRDAPXQR-UHFFFAOYSA-N	320.414	2.240	10	50	DECA	
CCOC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(N(C)C)cc1	9109664	UZVCADMHFJWQMP-AWEZNQCLSA-N	319.430	2.109	10	50	DECA	
Cc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)o1	84733	PKLBYWFWXRKLCI-FLIBITNWSA-N	314.272	2.394	10	50	DECA	
CCC(=O)OCOc1ccc(/C=C2\SC(=S)NC2=O)cc1	4984637	UDMYXWOOPURAMK-XFFZJAGNSA-N	323.395	2.465	10	50	DECA	
CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S	5727383	ZUVZZNBYZGLVRK-RUYJGKKWSA-N	322.411	2.392	10	50	DECA	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2cccnc2)SC1=S	5727406	ZUVZZNBYZGLVRK-CDCCAWJDSA-N	322.411	2.392	10	50	DECA	
CCOc1ccc2ccccc2c1/C=C1/C(=O)NC(=O)N(C)C1=O	446978	ACMXPNRLFQDFCB-UVTDQMKNSA-N	324.336	2.330	10	50	DECA	
CCN1CCC[C@@H]1CNCc1cc(-c2cncnc2)ccc1O	299787147	ZKVJFZKCUGRZHI-QGZVFWFLSA-N	312.417	2.423	10	50	DECA	
CCN(CC)c1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1	182980	KAGGUGYOLGZPGB-HNNXBMFYSA-N	317.389	2.334	10	50	DECA	
CN1CCN(c2ccc(CNC(=O)C3CCCC3)cc2)CC1	49740615	YRMQPJJGDCSDSD-UHFFFAOYSA-N	301.434	2.245	10	50	DECA	
Cc1nn(C)c(C)c1CN(C(=O)Cc1ccc(N)cc1)C1CC1	1506418334	QHRVRMRLKKCXRE-UHFFFAOYSA-N	312.417	2.353	10	50	DECA	
CCN1C(=O)/C(=C/c2ccc(OCC(=O)O)cc2)SC1=S	1581277	BJDXFCQSCIUNGO-XFFZJAGNSA-N	323.395	2.371	10	50	DECA	
C[C@H]1CCC[C@H](C)N1C(=O)C(=O)NCc1ccc(N(C)C)cc1	170597747	XVSJVWNPBPDMDL-KBPBESRZSA-N	317.433	2.158	10	50	DECA	
O=C1N=C(N2CCCCN2)S/C1=C\c1ccc(F)cc1O	145492278	SKCADXVKQRCWTR-GHXNOFRVSA-N	307.350	2.102	10	50	DECA	in-vitro
CCN(C)c1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	5042433	JIVSKNYRSUIEQG-RMKNXTFCSA-N	316.317	2.010	10	50	DECA	
CCCN1CCN(Cc2cc(-c3cnccn3)ccc2O)CC1	20207553	RFJHDAIGLWSHMY-UHFFFAOYSA-N	312.417	2.377	10	50	DECA	
COC(=O)c1cc(OC[C@H]2C[N@@]2CC2CC2)ccc1N(C)C	1875385080	MNPYQPWYVJGKHK-BFUOFWGJSA-N	304.390	2.012	10	50	DECA	
O=C(O)C1(NCc2cc(Br)cc(F)c2O)CC1	903988740	HMLKLCMCHAGBJI-UHFFFAOYSA-N	304.115	2.001	10	50	DECA	
COc1ccc(C(=O)N2CCN(c3ccc(N)cc3)CC2)cc1	4387153	PIPVSPUUJHKEKJ-UHFFFAOYSA-N	311.385	2.240	10	50	DECA	
CN(C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1cccc(F)c1	95354942	JGPBNXRIGLWBKH-MRXNPFEDSA-N	318.348	2.156	10	50	DECA	
COc1ccc([C@@]23NCCCN2C(=O)c2ccccc23)c(O)c1	71782947	YPBOBFSCDHHQFC-SFHVURJKSA-N	310.353	2.051	10	50	DECA	
COc1ccc(/C(C)=C2\SC(N3CCOCC3)=NC2=O)cc1	88694	CXYSMBCNAMDIIY-KAMYIIQDSA-N	318.398	2.388	10	50	DECA	
CCCCN/C=C1/C(=O)NC(=S)N(c2ccccc2C)C1=O	19595255	PCMOUIWKTBZCCB-BENRWUELSA-N	317.414	2.016	10	50	DECA	
CNCc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1	4277319	VERAVZPFPZKVCT-UHFFFAOYSA-N	305.422	2.463	10	50	DECA	
CCOc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1O	446683	CUDHDUDSKHWVKD-SDNWHVSQSA-N	324.336	2.252	10	50	DECA	
O=C1NC(=S)NC(=O)C1=CNc1ccccc1-c1ccccc1	6494001	ODCXLKCPJNURFJ-UHFFFAOYSA-N	323.377	2.180	10	50	DECA	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1	16667452	NBOYFLJLFHYRSJ-UVTDQMKNSA-N	309.281	2.056	10	50	DECA	
Cn1ncc(C2CCC2)c1C(=O)NCc1cccc(O)c1O	1262078402	HPHFVZDHZDGHHN-UHFFFAOYSA-N	301.346	2.029	10	50	DECA	
CCCC(=O)N1CCN(c2ccc(OC)cc2[N+](=O)[O-])CC1	4125189	VLJNKFMFKWZJFD-UHFFFAOYSA-N	307.350	2.052	10	50	DECA	
COc1ccc(N2CCN(c3nccnc3OC)[C@@H](C)C2)cc1	95387184	BWVWENXGYPOIDQ-ZDUSSCGKSA-N	314.389	2.209	10	50	DECA	
CCOC(=O)c1cnc(CC)nc1NCc1cccc(O)c1O	1616034111	XPBYETQGQPXMBD-UHFFFAOYSA-N	317.345	2.239	10	50	DECA	
Cc1ccc(N2C(=O)/C(=C\c3ccoc3)C(=O)NC2=S)cc1	4859401	BLHNSZIUBRQFRR-JYRVWZFOSA-N	312.350	2.419	10	50	DECA	
O=C(O)CCN1C(=O)/C(=C\c2cccc(O)c2)SC1=S	1210153	IAZBFDQQOLGJTA-JXMROGBWSA-N	309.368	2.068	10	50	DECA	
CN(C)[C@@H](C(=O)NCc1ccc(O)cc1O)c1ccccc1F	95372688	SWYUMVDTFNLJCA-MRXNPFEDSA-N	318.348	2.156	10	50	DECA	
Cc1[nH]c2ccccc2c1C=C1C(=O)N(C)C(=S)N(C)C1=O	331931	JXQCRGJSSABTGT-UHFFFAOYSA-N	313.382	2.075	10	50	DECA	
CCc1cc(=O)oc2c(CN[C@H](C(=O)O)C(C)C)c(O)ccc12	3863567	RRTLWVNESVIBJO-HNNXBMFYSA-N	319.357	2.260	10	50	DECA	biogenic
OC1(CNCc2ccc(N3CCCCC3)cc2)CCOCC1	238141604	QEAXSZNIYIELDD-UHFFFAOYSA-N	304.434	2.308	10	50	DECA	
O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc[nH]1	92047	YDDCIJKITBNBJT-CSKARUKUSA-N	315.716	2.335	10	50	DECA	
CN(C)c1ccc(CN=c2nc(C(F)(F)F)[nH][nH]2)cc1F	1875275664	QBWSHYVAYSVGAC-UHFFFAOYSA-N	303.263	2.063	10	50	DECA	
COc1ccc(N2CCN(c3nccnc3OC)[C@H](C)C2)cc1	95387183	BWVWENXGYPOIDQ-CYBMUJFWSA-N	314.389	2.209	10	50	DECA	
Cc1nc(S)sc1CC(=O)NCCc1ccc(O)c(O)c1	122462837	TYMMEAXSCYXXPU-UHFFFAOYSA-N	324.427	2.053	10	50	DECA	
Cn1cc([C@H]2OCCC[C@@H]2NCc2ccc3c(c2)CCO3)cn1	275400060	CLTMDFDAZIXEDQ-FUHWJXTLSA-N	313.401	2.365	10	50	DECA	
CCN1C(=O)/C(=C2/C(=O)N(C)c3ccccc32)SC1=S	2283908	CGNHAJMGLKGCOB-KHPPLWFESA-N	304.396	2.254	10	50	DECA	
O=C(O)CCCN1C(=O)/C(=C\c2cccnc2)SC1=S	967132	OLKBAHLYXLYVPC-JXMROGBWSA-N	308.384	2.148	10	50	DECA	
COc1cc2c(cc1/C=C1\SC(=S)N(C)C1=O)OCO2	1124869	KKVYIXINHNOVJA-WCIBSUBMSA-N	309.368	2.255	10	50	DECA	
COc1ccc(N2CCC(N(C)[C@@H](C)C(=O)N(C)C)CC2)cc1	65531363	OMLXJDKUADOWAB-AWEZNQCLSA-N	319.449	2.073	10	50	DECA	
COc1c(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c2c1O	5998557	FHHSEFRSDKWJKJ-UHFFFAOYSA-N	316.265	2.291	10	50	DECA	biogenic,in-vivo
Cc1nnc([C@H]2COCCN2Cc2ccc(N(C)C)c(C)c2)o1	293995085	FRGVDUUEOOABSB-MRXNPFEDSA-N	316.405	2.326	10	50	DECA	
CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)ccc1O	191843	JOYOMAFSELZVOP-LBPRGKRZSA-N	310.737	2.237	10	50	DECA	
C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)C[C@H](C)O1	12417977	VQLRERHSCJTSMR-UDDXXMGHSA-N	318.398	2.472	10	50	DECA	
Cc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)o1	15769579	BIYBQVPTGUWJAC-NTEUORMPSA-N	310.309	2.250	10	50	DECA	
C[C@H](NCc1c(O)ccc2c1oc(=O)c1ccccc12)C(=O)O	28358758	QWHQRWSTIDVINF-VIFPVBQESA-N	313.309	2.215	10	50	DECA	
CCN1C(=O)/C(=C\c2ccc(C(=O)OC)n2C)SC1=S	585135907	HZRYZTRVOGKVNY-JXMROGBWSA-N	310.400	2.033	10	50	DECA	
CSc1ccc(/C=C2/SC(NCC(=O)O)=NC2=O)cc1	6762862	RITJTXWJDLMHGP-UXBLZVDNSA-N	308.384	2.053	10	50	DECA	
CC(C)c1ccc(/C=C2\C(=O)NC(=O)N=C2O)cc1[N+](=O)[O-]	5006874	QBUYKOZYEWTORS-UHFFFAOYSA-N	303.274	2.308	10	50	DECA	
COc1cc(Br)cc(CN2CCC[C@H](O)C2)c1O	23281727	ZOVHCYNWJLRZTL-NSHDSACASA-N	316.195	2.120	10	50	DECA	
O=C1NC(=O)C(=CNc2ccccc2Oc2ccccc2)C(=O)N1	4815402	IRUATXBTKACJDU-UHFFFAOYSA-N	323.308	2.141	10	50	DECA	
CCO[C@@H]1CCCN(C(=O)[C@H](C)Cc2ccc(O)c(O)c2)C1	225578819	WBTFRSFFKWXYEI-TZMCWYRMSA-N	307.390	2.304	10	50	DECA	
CCC(=O)Oc1ccc(/C=C2/SC(=S)NC2=O)cc1OC	1132652	BHBSMLGOQSIPRC-YRNVUSSQSA-N	323.395	2.499	10	50	DECA	
CCO[C@H]1CCCN(C(=O)[C@H](C)Cc2ccc(O)c(O)c2)C1	225578852	WBTFRSFFKWXYEI-OCCSQVGLSA-N	307.390	2.304	10	50	DECA	
O=C1C(c2ccccc2)=S=C2N=C(c3ccccc3)C=NN12	334157884	XPYSLOUFRXOWIL-UHFFFAOYSA-N	305.362	2.359	10	50	DECA	
CC(C)[C@H](C(=O)O)N1C(=O)/C(=C\c2ccccn2)SC1=S	5178484	OEINKKZULXLWMF-PFEDMVJOSA-N	322.411	2.392	10	50	DECA	
CCc1cccc2c(C=C3C(=O)N(C)C(=O)N(C)C3=O)c[nH]c12	16245328	NBGCNSPOVBSRAG-UHFFFAOYSA-N	311.341	2.164	10	50	DECA	
CC(=O)O[C@]12C=C[C@](OC(C)=O)(CCc3ccc(o3)CC1)O2	6761527	GXKCEGADIFAOCH-IYBDPMFKSA-N	306.314	2.264	10	50	DECA	
COc1cc(Br)cc(CN2CCC[C@@H](O)C2)c1O	23281725	ZOVHCYNWJLRZTL-LLVKDONJSA-N	316.195	2.120	10	50	DECA	
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1	13409634	VYUIEWYCPNCSNZ-UVTDQMKNSA-N	309.281	2.056	10	50	DECA	
COC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O	3897242	VPJKUUMZIGTZRL-UHFFFAOYSA-N	311.249	2.157	10	50	DECA	
Cc1cc([N+](=O)[O-])ccc1NC=C1C(=O)OC(C)(C)OC1=O	100247277	REUOGPNPOITQQX-UHFFFAOYSA-N	306.274	2.035	10	50	DECA	
COc1ccc(N2CCN(C[C@H]3CCNC3)CC2(C)C)cc1	107120841	PCAPVYMLUTUKNL-HNNXBMFYSA-N	303.450	2.205	10	50	DECA	
CNc1ncccc1C(=O)N[C@@H](C)c1cc(OC)ccc1O	1358047044	TVSZNZYTEQUPJD-JTQLQIEISA-N	301.346	2.329	10	50	DECA	
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(O)cc2)cc1	363229	GOYWUZJPYLTVRJ-UHFFFAOYSA-N	322.342	2.371	10	50	DECA	
CN(C)c1ccc2c(c1)CN(C(=O)[C@H]1CCc3n[nH]cc3C1)CC2	1875258395	UCKANTNBVWWCSY-AWEZNQCLSA-N	324.428	2.166	10	50	DECA	
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1cccc(O)c1	15659312	JREHYCXDGVXZBZ-UVTDQMKNSA-N	324.361	2.224	10	50	DECA	
O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\c1cccs1	4919143	WSGOCFLUKRWZNV-XFFZJAGNSA-N	318.379	2.168	10	50	DECA	
Cc1cc(C(=O)N2CC[C@H](N)C2)c(C)n1-c1cccc(F)c1	237708582	BBKINRJSNLVLNI-AWEZNQCLSA-N	301.365	2.406	10	50	DECA	
CC(C)N1CCc2cc(CN3CCC[C@H](C(N)=O)C3)ccc21	6306609	SLZGCZRAIAGKSA-INIZCTEOSA-N	301.434	2.155	10	50	DECA	
CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)COC	408515187	BIHHHHUONCVDDY-UHFFFAOYSA-N	322.405	2.021	10	50	DECA	
Cc1ccc(F)c(O)c1CNC[C@@](C)(O)C(=O)OC(C)(C)C	1615605306	ABYWLTOHIUYTTQ-MRXNPFEDSA-N	313.369	2.022	10	50	DECA	
COC(=O)c1cc(CN[C@@H](C)c2cc(OC)ccc2O)cn1C	408516965	AUZBWPLJCYHZRO-NSHDSACASA-N	318.373	2.377	10	50	DECA	
Cc1cc(C(=O)N2CC[C@H](N)C2)c(C)n1-c1ccc(F)cc1	132522719	MVEDPJRIMUHXNW-AWEZNQCLSA-N	301.365	2.406	10	50	DECA	
CC(C)(C)/N=[N+](\O)C(Br)(Br)[N+](=O)[O-]	225429718	APHQGPJIDTVHOI-UHFFFAOYSA-N	319.961	2.317	10	50	DECA	
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1	433959	CVVMLFWUNMQWGQ-UHFFFAOYSA-N	307.327	2.225	10	50	DECA	
COc1cccc(CN2CCC(C(=O)NC(C)C)CC2)c1O	4725472	DJBVMZPWACJAIA-UHFFFAOYSA-N	306.406	2.137	10	50	DECA	
O=C1N=C(N2CCCC[C@H]2CCO)S/C1=C/c1ccco1	1399515	VYPRXQIBTVMKRP-CDDSVFCYSA-N	306.387	2.487	10	50	DECA	
C[C@H]1CN(C2=NC(=O)/C(=C\c3cccc(O)c3)S2)C[C@@H](C)O1	12417980	VQLRERHSCJTSMR-WMNKIYBBSA-N	318.398	2.472	10	50	DECA	
CCC1=NN2C(=N)/C(=C/c3ccc(O)cc3)C(=O)N=C2S1	4996878	FZHLGMJAWAGIDG-IYTUHVGOSA-N	300.343	2.421	10	50	DECA	
O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccc(O)cc1C(=O)O	13352617	IDUUXROOZBOOPH-QHHAFSJGSA-N	315.281	2.154	10	50	DECA	endogenous,in-man
CCc1cc(=O)oc2c(CN[C@@H](C(=O)O)C(C)C)c(O)ccc12	3863568	RRTLWVNESVIBJO-OAHLLOKOSA-N	319.357	2.260	10	50	DECA	biogenic
CN(C)Cc1cc(-c2nccn2Cc2cnn(C)c2)ccc1O	71498707	GTYZXYWZHDBJGA-UHFFFAOYSA-N	311.389	2.099	10	50	DECA	
CC(=O)NC1=NC(=O)/C(=C\c2ccc(Br)o2)S1	5668707	TVASYCQXZBXBQQ-QPJJXVBHSA-N	315.148	2.149	10	50	DECA	
COCCn1cnnc1[C@H](C)NCc1ccc(OC)c(C)c1	952975849	XURSWYODGBNGLO-ZDUSSCGKSA-N	304.394	2.092	10	50	DECA	
CC[C@H](C(N)=O)N(C)C(=O)c1c(C)c2cccc(C)c2n1C	426396427	LBYSHLPYKPTIKD-CYBMUJFWSA-N	301.390	2.131	10	50	DECA	
COc1ccc(O)c(CNC(=O)c2ccnn2C2CCC2)c1	934943897	VSWJZSOIMFNFPQ-UHFFFAOYSA-N	301.346	2.252	10	50	DECA