smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@H](O)CCCCCCCCCCCCc1cc(O)cc(O)c1O	14818239	AAMYMLZZYOONFN-MRXNPFEDSA-N	338.488	5.018	10	1	EKCF	biogenic
Cc1c(CN2CCSCC2)cc(-c2ccccc2)n1-c1ccccc1	33494522	CPCSLELLXSVSMK-UHFFFAOYSA-N	348.515	5.002	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3ccc(O)cc3)cc(-c3ccccc3)c21	1857748062	MSOPXWDVDRDUCG-UHFFFAOYSA-N	349.389	5.333	10	1	EKCF	
Oc1ccccc1[C@@H]1C[C@H](c2ccccc2)Sc2ccccc2N1	89469020	ZJBNTOVKONIHLQ-GHTZIAJQSA-N	333.456	5.783	10	1	EKCF	
Brc1ccc(-n2c(-c3ccccc3)cc3c2CCC3)cc1	1772621773	WIGIUZCEVQTDCP-UHFFFAOYSA-N	338.248	5.396	10	1	EKCF	
CC1(C)CCC(C)(C)c2cc(/N=N/c3ccc(C(=O)O)cc3)ccc21	34059511	OSHWPJIATUXLQC-GHVJWSGMSA-N	336.435	6.149	10	1	EKCF	
[N-]=[N+]=NCCCCc1ccc(-c2ccc(-c3cccs3)s2)s1	1772603990	SJSQMMYTYMFCSJ-UHFFFAOYSA-N	345.518	6.838	10	1	EKCF	
Cc1cc(-c2csc([C@@H]3CCCO3)n2)c(C)n1-c1ccccc1F	587921897	FGLLLRZEKWEOHM-SFHVURJKSA-N	342.439	5.208	10	1	EKCF	
Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)ccc1O	103285105	CAMZPCWDOVEGOP-OAQYLSRUSA-N	328.415	5.056	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3)c21	32287107	FEYJZAJEEZJOBC-UHFFFAOYSA-N	333.390	5.627	10	1	EKCF	
CC1(C)C[C@H](CNc2c3ccccc3nc3ccccc23)C(C)(C)N1[O]	104955559	JBGLFPGKJMQLTR-OAHLLOKOSA-N	348.470	5.025	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1nccs1	169728125	GCEXZQZJQFEHAA-IMAVIWKISA-N	336.392	5.390	10	1	EKCF	
Cc1ccc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2	34588296	VJZQPQSRQKUBOR-UHFFFAOYSA-N	341.241	5.444	10	1	EKCF	
c1ccc([C@H](/N=N/c2nc3ccccc3s2)c2ccccn2)cc1	169686676	XYTANBRTRZCNAC-CCWVLBSLSA-N	330.416	5.565	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2c3ccccc3c3ccccc3c2[nH]1	587259599	FQRHYOJNAXHOOZ-UHFFFAOYSA-N	343.434	6.283	10	1	EKCF	
CC(=O)COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	27526166	XDSKONKKLHUAOK-UHFFFAOYSA-N	342.398	5.099	10	1	EKCF	
COc1ccc2nc(/N=N\c3c(O)ccc4ccccc34)sc2c1	102766264	MPIBXZYNRVPXKA-MRCUWXFGSA-N	335.388	5.579	10	1	EKCF	
Cc1ccc2nc3ccccc3c(NCc3nc4ccccc4[nH]3)c2c1	212324738	JGVCNOJZYYDGHS-UHFFFAOYSA-N	338.414	5.185	10	1	EKCF	
Oc1ccccc1CNCCC=C(c1ccccc1)c1ccccc1	40402181	XAVMYJCDXCOICA-UHFFFAOYSA-N	329.443	5.004	10	1	EKCF	
COc1cc(N)ccc1Nc1c2ccccc2nc2c(C)cccc12	26939905	OVIABDZPGHSRTO-UHFFFAOYSA-N	329.403	5.031	10	1	EKCF	
CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(C)n1-c1ccccc1	963238939	ICQILFKTWGQJGD-NTKDMRAZSA-N	344.502	5.532	10	1	EKCF	
CN(C)c1ccc(/C=C/c2c3c(nc4ccccc24)CCCC3)cc1	73317035	JLQFEZREXKDXSR-DTQAZKPQSA-N	328.459	5.350	10	1	EKCF	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@@H](c1cccc(F)c1)N2	4223037	XIMHWDQOXFCVJX-OGHNNQOOSA-N	343.785	5.004	10	1	EKCF	
Nc1[nH]c(N=Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc12	299813045	MSLGDJPJOQVYIR-UHFFFAOYSA-N	337.383	5.428	10	1	EKCF	aggregator
Cc1cc(C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccccc1	1772638150	VHAFHIHWBOYITQ-UHFFFAOYSA-N	340.426	5.500	10	1	EKCF	
C[C@@H](CCCN1CCCC1)Nc1c2ccccc2nc2ccccc12	29562913	ADZYAMKAMJQCOA-KRWDZBQOSA-N	333.479	5.064	10	1	EKCF	
Cc1cc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2cc1C	587078193	KKXLSGNJFBLNRV-MDOVXXIYSA-N	349.865	5.660	10	1	EKCF	
CCC/N=N\CCCN1c2ccccc2Sc2ccc(Cl)cc21	13776798	PJUBEHCJUMFFBQ-MRCUWXFGSA-N	345.899	6.195	10	1	EKCF	
Oc1ccc2ccccc2c1[C@@H](Nc1ccccc1)c1ccccc1	35287660	DEHFLWZOQVZVII-QHCPKHFHSA-N	325.411	5.747	10	1	EKCF	
CN(C)c1ccc(/C=C/c2cc3ccc(Br)cc3o2)cc1	40951517	ADDKXHVJHJEPSK-BJMVGYQFSA-N	342.236	5.432	10	1	EKCF	
O=C(O)c1cc(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1S	39194356	DTFZDOYGPBIKHH-UHFFFAOYSA-N	349.455	5.010	10	1	EKCF	
S=C1CCCC2=C1[C@H](c1ccccc1)c1c(ccc3ccccc13)O2	103272309	CDRMYZOWHDRAGA-OAQYLSRUSA-N	342.463	6.172	10	1	EKCF	
Cc1ccc2cc(C/N=N/c3nc4ccccc4[nH]3)c(Cl)nc2c1	169688182	JUSARNASDBBMRA-HIXSDJFHSA-N	335.798	5.357	10	1	EKCF	
CCn1c(O)c(N=Nc2ccc(Cl)c(C(=O)O)c2)c2ccccc21	253915936	ITZGLLRBXMANQD-UHFFFAOYSA-N	343.770	5.134	10	1	EKCF	
CN(C)c1ccc(/C=C/c2cc3cc(Br)ccc3o2)cc1	40950325	PORXXAUKKOVPLM-WEVVVXLNSA-N	342.236	5.432	10	1	EKCF	
Nc1ccc(Oc2ccc3nc(C4(F)CCCCC4)[nH]c3c2)cc1	587132292	PLIJCEHVJLLVOS-UHFFFAOYSA-N	325.387	5.066	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2c3cccnc3c3ncccc3c2[nH]1	587260076	NIFRINJSLGJYFK-UHFFFAOYSA-N	345.410	5.073	10	1	EKCF	
CCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5315811	RUFYSDBRNWYJSQ-UHFFFAOYSA-N	327.431	5.954	10	1	EKCF	
C[C@H]1[C@H]2C=C(C=C3c4ccccc4CCc4ccccc43)C[C@H]1CC2	101037947	RMNZMKPVCVYBDK-MTNREXPMSA-N	326.483	6.209	10	1	EKCF	in-vivo
[N-]=[N+]=NC(COc1ccc(Cl)cc1)COc1ccc(Cl)cc1	2178320266	UUKFEYLSXVEALE-UHFFFAOYSA-N	338.194	5.130	10	1	EKCF	
CCN(CC)CCCC[C@@H](C)Nc1c2ccccc2nc2ccccc12	29556285	VDUMGUQXXZRYIF-GOSISDBHSA-N	349.522	5.701	10	1	EKCF	
C[C@@H]1[C@H]2CC[C@H]1C=C(C=C1c3ccccc3CCc3ccccc31)C2	169354153	RMNZMKPVCVYBDK-HSQYWUDLSA-N	326.483	6.209	10	1	EKCF	
Oc1[nH]c2ccc(Br)cc2c1/N=N\c1ccc(F)cc1	13122988	FRKWHJNOUBRZFC-HNENSFHCSA-N	334.148	5.191	10	1	EKCF	
Cc1cc(-c2ccc(O)c(CN3CCCCCC3)c2)c2ccccc2n1	53166529	ZDXATJPGBRNAPI-UHFFFAOYSA-N	346.474	5.292	10	1	EKCF	
Cc1oc(C(=O)O)cc1COc1ccc(-c2ccc(Cl)cc2)cc1	140872191	LACUZSOXORWOSX-UHFFFAOYSA-N	342.778	5.186	10	1	EKCF	
CCC=Cc1cc(OC)c2c(c1)[C@H](CC)[C@@H](c1ccc(O)c(O)c1)O2	2356428626	RQKOIAPDBORABX-MGPUTAFESA-N	340.419	5.157	10	1	EKCF	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccncc3)c2c1	72107219	YAUSMHMYJYRQTL-UHFFFAOYSA-N	335.794	5.189	10	1	EKCF	
Cc1ccc2c(c1)CN1c3ccc(C)cc3CN2C1c1ccccc1O	1618126	YLAXJAFJRPVOPH-UHFFFAOYSA-N	342.442	5.048	10	1	EKCF	
COc1ccc([C@@H]2c3cccc(N)c3N[C@H](c3ccccc3)[C@H]2C)cc1	96913150	XKVWXIULPWMZQP-ARBPTSGCSA-N	344.458	5.212	10	1	EKCF	
O=C(O)/C=C/c1ccccc1Nc1c2ccccc2nc2ccccc12	26841882	ZZQKIPRBBJSMCG-BUHFOSPRSA-N	340.382	5.229	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(OCc3ccccc3)cc2[nH]1	587259069	AFDVKAFRGQFHID-UHFFFAOYSA-N	349.438	5.555	10	1	EKCF	
O=C(O)CCCSC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	5887550	AGHWIWXBCPJTNK-FMQUCBEESA-N	343.408	5.232	10	1	EKCF	
Cc1cc(Cl)cc2c(N=Nc3nc4ccccc4s3)c(O)[nH]c12	617960103	KASHMXJXECSLRI-UHFFFAOYSA-N	342.811	5.860	10	1	EKCF	
Fc1ccc(/N=N/C2=C3CCCCN3CCC2)cc1C(F)(F)F	102134033	YBOFICOZSWCDDN-QURGRASLSA-N	327.325	5.420	10	1	EKCF	
Cn1c(O)c(/N=N/c2nc(-c3ccccc3)cs2)c2ccccc21	101757004	MHUVBYNOQINRTD-QZQOTICOSA-N	334.404	5.423	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1	587260291	QHJSAFFCAMNIHY-UHFFFAOYSA-N	329.301	5.134	10	1	EKCF	
Oc1cc(Cl)cc(Cl)c1CNCC12CC3CC(CC(C3)C1)C2	299859944	GEJKSHUDWUKEIV-UHFFFAOYSA-N	340.294	5.005	10	1	EKCF	
Oc1c([C@H](Nc2ccccc2)c2ccccc2)ccc2ccccc12	653808027	DOQQFJOMPXDRBO-JOCHJYFZSA-N	325.411	5.747	10	1	EKCF	
C[C@@H](C[C@H]1CC(C)(C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689753	IHLCMMBNROJUQG-JDBCIOAGSA-N	343.452	5.014	10	1	EKCF	
COc1ccc(CNc2c3ccccc3nc3ccccc23)cc1OC	169304534	IAFBUXPIYGOMLA-UHFFFAOYSA-N	344.414	5.017	10	1	EKCF	
CN(C)c1ccc(/C=C/c2cc(=O)oc3c2ccc2ccccc23)cc1	1857586278	DCSUOCCCFBBWBV-JXMROGBWSA-N	341.410	5.183	10	1	EKCF	
Cc1cc(/N=N\c2ccc(Cl)cc2)cc(CN2CCCC2)c1O	102675419	JFQASHVZFSYYCB-MRCUWXFGSA-N	329.831	5.365	10	1	EKCF	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@@H]32)cc1	1461852	AFQXAOUQZPFYDQ-BBTUJRGHSA-N	333.431	5.335	10	1	EKCF	
CCOC(=O)c1sc2ccccc2c1/N=N/Nc1ccccc1	299840848	ZKBBDVQLIALBQC-UHFFFAOYSA-N	325.393	5.189	10	1	EKCF	
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)C=[N+]=[N-]	28472372	ZVZBWWAGIFGRBU-DOFZRALJSA-N	328.500	6.002	10	1	EKCF	
COc1cccc2c(NCCc3cccs3)c3ccccc3nc12	45290687	KKLPHCUTHLPYBL-UHFFFAOYSA-N	334.444	5.113	10	1	EKCF	
Cc1cc(-c2csc(C(C)(C)C)n2)c(C)n1-c1ccccc1F	587922806	WWKSFKKKVBRBHZ-UHFFFAOYSA-N	328.456	5.654	10	1	EKCF	
O=C(Nc1ccccc1)c1ccc(/N=N\c2c[nH]c3ccccc23)cc1	98084393	YYGYGAHJKHSXNV-IZHYLOQSSA-N	340.386	5.836	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3ccccc3O)cc(-c3ccccc3)c21	1857631128	VCESKBLDUQRYQM-UHFFFAOYSA-N	349.389	5.333	10	1	EKCF	
Cc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1C	587078471	RYUILZQVSWBYIR-MDOVXXIYSA-N	349.865	5.660	10	1	EKCF	
C(=C/c1ccc(-c2ccccc2)cc1)\CNCc1ccc2c(c1)CCO2	1772618736	WTMKMVLMPXBNNR-SNAWJCMRSA-N	341.454	5.092	10	1	EKCF	
Cc1cc(CNCc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1	653856836	MLJXHUVATAMVMW-UHFFFAOYSA-N	342.845	5.176	10	1	EKCF	
CC1(C)CC(Nc2c3ccccc3nc3ccccc23)CC(C)(C)N1[O]	104954419	KPPDDYNFTOVPSI-UHFFFAOYSA-N	348.470	5.167	10	1	EKCF	
CCCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1	29132263	SNIGJFGCQATFIS-UHFFFAOYSA-N	349.474	5.534	10	1	EKCF	
Oc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Sc2ccccc2N1	89469018	ZJBNTOVKONIHLQ-RXVVDRJESA-N	333.456	5.783	10	1	EKCF	
O=C(O)c1cccc2c(-c3cccc(F)c3)c(-c3cccc(F)c3)[nH]c12	587638067	TUTKTURCJGZALF-UHFFFAOYSA-N	349.336	5.478	10	1	EKCF	
CCc1ccc2[nH]c(O)c(N=Nc3nc(-c4ccccc4)cs3)c2c1	253981680	LSWUQVQKEXUPFR-UHFFFAOYSA-N	348.431	5.975	10	1	EKCF	
Oc1ccccc1[C@H]1CC(c2c3ccccc3cc3ccccc23)=NN1	71316434	JXDBUOPWCXRJKN-HXUWFJFHSA-N	338.410	5.137	10	1	EKCF	
CCN(CC)c1ccc(-c2nc(-c3cccc(Cl)c3)cs2)cc1	587921382	VUJFCFREUWZXDD-UHFFFAOYSA-N	342.895	5.977	10	1	EKCF	
Cc1cc(OCc2cccc(Cl)c2)nc(-n2c(C)ccc2C)c1	28572381	JMKPCWIZLCCRKN-UHFFFAOYSA-N	326.827	5.030	10	1	EKCF	
CN1CCC/C1=C\N=N\c1ccc(Br)c(C(F)(F)F)c1	40915777	ONFABYRXHXWMRN-KHTMJJOGSA-N	348.166	5.119	10	1	EKCF	
c1ccc(C/N=N/c2nc3ccccc3nc2Cc2ccccc2)cc1	169727593	QFAHBYAMBHYFQN-WNAAXNPUSA-N	338.414	5.505	10	1	EKCF	
Cc1cc2cc(O)c(O)cc2c(C)c1-c1cccc(C(F)(F)F)c1	26847604	KUKPDAAQBPKFTB-UHFFFAOYSA-N	332.321	5.554	10	1	EKCF	
Cc1ccc(NC(=S)Nc2ccccc2-n2c(C)ccc2C)cc1	653808325	GKJQDVDBAFAWHS-UHFFFAOYSA-N	335.476	5.211	10	1	EKCF	
Cc1ccc(CNCc2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	653846214	JAPXVPACRBOHFM-UHFFFAOYSA-N	338.882	5.346	10	1	EKCF	
Cc1ccc2c3c(cc(-c4sccc4O)nc13)-c1ccccc1C2=O	587100928	BBRQIYVNYUGJDS-UHFFFAOYSA-N	343.407	5.189	10	1	EKCF	
Fc1ccccc1C/N=N/c1nc(-c2ccccn2)nc2ccccc12	169689789	BJIMRYYNYIXLDO-WNAAXNPUSA-N	343.365	5.115	10	1	EKCF	
Oc1c([C@H](Nc2ccccc2)C2CCCCC2)ccc2cccnc12	653781578	GLJKIKYNEHNROT-HXUWFJFHSA-N	332.447	5.674	10	1	EKCF	
COc1ccc(Nc2c3ccccc3nc3cc([N+](=O)[O-])ccc23)cc1	26941773	AAGGLXUSGBNBIU-UHFFFAOYSA-N	345.358	5.048	10	1	EKCF	
Cc1ccc(O)c([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1	104024421	YNHDRNGJRBSVFY-OAQYLSRUSA-N	348.446	5.572	10	1	EKCF	
Cc1cccc(-c2cc(O)c(C(=O)N(C)c3cccc(C)c3)s2)c1	299839074	XERHKCLODMHBRX-UHFFFAOYSA-N	337.444	5.014	10	1	EKCF	
CC(C)(C)/C(O)=C/c1nc2ccccc2nc1/C=C(\O)C(C)(C)C	104703833	QOWORUHNECVSNW-WHYMJUELSA-N	326.440	5.520	10	1	EKCF	
CC/C=C\C/C=C\C/C=C\CCCCCCCc1cccc(O)c1O	238754184	BJARVMBFQSZZRH-PDBXOOCHSA-N	342.523	6.840	10	1	EKCF	
CSc1cccc(-n2c(C)cc(-c3csc(C(C)C)n3)c2C)c1	587924320	RTFSNHURZWQKAB-UHFFFAOYSA-N	342.533	6.063	10	1	EKCF	
Cc1ccc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c(O)c1	102972035	MEPPLKZHRALHMC-OAQYLSRUSA-N	348.446	5.572	10	1	EKCF	
CCCCNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5315608	YWHLTEIENBYNDH-UHFFFAOYSA-N	341.458	6.344	10	1	EKCF	
CC1CCN([C@@H](c2ccccc2)c2c(O)ccc3ccccc23)CC1	653711470	LYICCWVEBUDALB-QHCPKHFHSA-N	331.459	5.367	10	1	EKCF	
C[C@H](CC[C@H]1C[C@@H](C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689746	CKMSVPYIEOVFBX-PYWMAORBSA-N	343.452	5.014	10	1	EKCF	
CC(C)(C)[C@@H]1CCC(=O)N(CC[C@H](N=[N+]=[N-])c2ccccc2)CC1	15937269	DIUXHIQZMQHKSB-SJORKVTESA-N	328.460	5.103	10	3	EKCF	
Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccc(F)cc1	253994897	FRKWHJNOUBRZFC-UHFFFAOYSA-N	334.148	5.191	10	1	EKCF	
CCN(CC)CCC[C@H](C)Nc1c2ccccc2nc2ccccc12	6382125	QRPXUGKLXFUGCX-KRWDZBQOSA-N	335.495	5.310	10	1	EKCF	
CO[C@@H]1C[C@H]2C(=CCCC2(C)C)Cc2c1cc(C(C)C)c(O)c2O	14515143	OUPCPSBUOGQSQC-ZWKOTPCHSA-N	330.468	5.218	10	1	EKCF	biogenic
Cc1ccc(C(C)C)n1-c1cc(OC(C)C)c(Cl)cc1Cl	587943264	SNXKFVBTIRRKLB-UHFFFAOYSA-N	326.267	6.003	10	1	EKCF	
CCc1ccc(CC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1	587946322	VHQXTFJREJSRED-UHFFFAOYSA-N	327.374	5.673	10	1	EKCF	
CN(C)c1ccc(/C=C/c2cc[n+](C)c3ccc4ccccc4c23)cc1	36382843	JYXNSMINEAHOHB-UHFFFAOYSA-N	339.462	5.054	10	1	EKCF	
CC[C@H](C(=O)Nc1ccccc1-n1c(C)ccc1C)c1ccccc1	95553567	VCUHAOLJKKZHQD-IBGZPJMESA-N	332.447	5.226	10	1	EKCF	
Nc1cccc(Cl)c1Oc1ccc(CNc2ccc(O)cc2)cc1	1857577278	DSYOYHCOKSRCCB-UHFFFAOYSA-N	340.810	5.032	10	1	EKCF	
Cc1nn(-c2ccccc2)c(N)c1N=Nc1ccc2ccccc2c1	253916238	ULIKPOUUZVBUAI-UHFFFAOYSA-N	327.391	5.332	10	1	EKCF	aggregator
Cc1cc(-c2csc(-c3ccncc3)n2)c(C)n1-c1ccccc1F	587922624	RJJOJTOKYWVCKC-UHFFFAOYSA-N	349.434	5.419	10	1	EKCF	
O=C(O)/C=C/c1cccc(Nc2c3ccccc3nc3ccccc23)c1	26935431	DBFNPQYMRDEKPT-OUKQBFOZSA-N	340.382	5.229	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccccc3Cl)c(-c3ccccc3)[nH]c12	587639212	XSYYUATWPXBIPL-UHFFFAOYSA-N	347.801	5.854	10	1	EKCF	
CC(C)(C)c1cc(/N=N/C(=O)c2ccncc2)cc(C(C)(C)C)c1O	18283424	SPSKQBOYSVUODS-GHVJWSGMSA-N	339.439	5.306	10	1	EKCF	
CCCCc1ccc(-n2c(CC)ccc2CC)c(Br)c1	587936039	JLFPRNRGSHRCOL-UHFFFAOYSA-N	334.301	5.707	10	1	EKCF	
CC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)Cc1c(O)ccc(O)c1O	6495102	RKQAGRNQCPPFNA-FEHMIHBQSA-N	330.468	5.145	10	1	EKCF	biogenic
CC1=C(Cc2ccc(O)c(O)c2O)[C@@]2(C)CCCC(C)(C)[C@H]2CC1	26163797	TZVLOZZTSNKVDW-DYESRHJHSA-N	330.468	5.289	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1	169728113	YEZBCXVMVJDEQX-AVCRYHLVSA-N	345.409	5.020	10	1	EKCF	
COc1ccccc1/N=N\c1c(O)[nH]c2ccc(Br)cc12	15885115	AIQLNFJGGZNOHA-HNENSFHCSA-N	346.184	5.060	10	1	EKCF	
Cc1cc(C)c2[nH]c(O)c(N=NC(=O)c3ccc(Cl)cc3)c2c1	617960154	PIWIFIPRQHIDSF-UHFFFAOYSA-N	327.771	5.068	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccc(F)c(F)c3)c(-c3ccccc3)[nH]c12	587637327	GRCVGMRZNYOZNS-UHFFFAOYSA-N	349.336	5.478	10	1	EKCF	
Oc1ccccc1[C@H]1C[C@@H](c2ccccc2)Sc2ccccc2N1	89469015	ZJBNTOVKONIHLQ-NQIIRXRSSA-N	333.456	5.783	10	1	EKCF	
OCc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2	49111964	SJCDSXZOMUWVNY-TYILLQQXSA-N	346.257	5.312	10	1	EKCF	
CCN(CCCOc1ccc2ccccc2c1)c1ccc(OC)cc1	29132261	DMMIYQGWGHEHPO-UHFFFAOYSA-N	335.447	5.144	10	1	EKCF	
COc1ccccc1/N=N/c1c(O)[nH]c2ccc(Br)cc12	101777526	AIQLNFJGGZNOHA-VHEBQXMUSA-N	346.184	5.060	10	1	EKCF	
Brc1ccccc1C/N=N/c1ccc2ccccc2n1	169688457	AMLDXWGNEBORNG-CZIZESTLSA-N	326.197	5.281	10	1	EKCF	
Nc1ccc(OC(=O)c2c(-c3ccccc3)sc3c2CCCC3)cc1	1772657844	LULHAZRRYNLZBD-UHFFFAOYSA-N	349.455	5.095	10	1	EKCF	
CCCCN(C)c1ccc(/N=N/c2ncc([N+](=O)[O-])s2)c(C)c1	14944998	HOYVECBZYTUZCH-ISLYRVAYSA-N	333.417	5.011	10	1	EKCF	
COc1ccc2nc(N=Nc3c(O)ccc4ccccc34)sc2c1	253989073	MPIBXZYNRVPXKA-UHFFFAOYSA-N	335.388	5.579	10	1	EKCF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2ccc([C@H](C)CC)cc12	587641379	FIBJIPXDWXEJKH-OAHLLOKOSA-N	344.502	6.711	10	1	EKCF	
FC(F)(F)c1cc(/N=N/C2=C3CCCCN3CCC2)ccc1Cl	102064279	BWQKCLCDJDLDKH-QURGRASLSA-N	343.780	5.934	10	1	EKCF	
C[C@H](C[C@@H]1CC(C)(C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689752	IHLCMMBNROJUQG-LMNBVQDXSA-N	343.452	5.014	10	1	EKCF	
CCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1	587924043	AOTBTCIIXVMFGW-UHFFFAOYSA-N	328.506	5.502	10	1	EKCF	
Clc1cncc(Cl)c1/N=N/Cc1ccccc1-c1ccccc1	169719152	XTJWKLBABUHLSD-GHVJWSGMSA-N	342.229	6.339	10	1	EKCF	
CN(C)CCCNc1c2ccc(Cl)cc2nc2ccc(Cl)cc12	28012109	DTWURDPNZFDXQI-UHFFFAOYSA-N	348.277	5.058	10	1	EKCF	
C/C(=C\c1cc2ccccc2o1)C1Nc2cccc3cccc(c23)N1	36380511	LUKOQZPTYXBDHH-WYMLVPIESA-N	326.399	5.853	10	3	EKCF	
CCN(CC)c1ccc(/C=C/c2c(C)cnc3ccc(C)cc23)cc1	72135794	CMMAFAJAPDYKND-JLHYYAGUSA-N	330.475	5.868	10	1	EKCF	
Cc1cccc2c1cc1n2-c2ccccc2N[C@@H]1c1ccccc1O	71420774	COBSGBBJDHRSRK-JOCHJYFZSA-N	326.399	5.159	10	1	EKCF	
C[C@H](/N=N/c1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1	169689474	AIQYFTDPDRXUEY-PIBWJKQFSA-N	345.233	6.024	10	1	EKCF	
COc1cccc(-c2c(CCN=[N+]=[N-])cnc3c2oc2ccccc23)c1	587361954	CYGGHQQUNOJOEP-UHFFFAOYSA-N	344.374	5.509	10	1	EKCF	
Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)ccc1O	103285103	CAMZPCWDOVEGOP-NRFANRHFSA-N	328.415	5.056	10	1	EKCF	
CC(C)=CCC/C(C)=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587966682	DREPAYWIWRJYDL-DTQAZKPQSA-N	347.462	6.087	10	1	EKCF	
[N-]=[N+]=NCC1CCC(c2cc(=O)c3ccc4ccccc4c3o2)CC1	1857610983	FHODCYLVKAZBMJ-UHFFFAOYSA-N	333.391	5.530	10	1	EKCF	
CCCN1/C(=C/c2sc3ccccc3[n+]2CC)C=Cc2ccccc21	5128438	MXRRBYROCXCPDS-UHFFFAOYSA-N	347.507	5.493	10	1	EKCF	
C[C@@H](CC[C@@H]1C[C@@H](C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689743	CKMSVPYIEOVFBX-HHYGYFQTSA-N	343.452	5.014	10	1	EKCF	
CCCCCc1cc2c(c(O)c1O)[C@H]1C=C(C)CC[C@@H]1C(C)(C)O2	2356542321	XXGMIHXASFDFSM-HOTGVXAUSA-N	330.468	5.441	10	1	EKCF	
Clc1ccc(/N=N/C=C2\CCCN2Cc2ccccc2)cc1Cl	58568626	RCKKJBUZYJJSCQ-MHZCYWJKSA-N	346.261	6.215	10	1	EKCF	
C[N+]1=C(/C=C/c2ccc(N3CCCC3)cc2)C(C)(C)c2ccccc21	95559858	XRNMYVVOYHOLKH-UHFFFAOYSA-N	331.483	5.006	10	1	EKCF	
CCOc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1F	473081789	DNERITVOUAHATL-UHFFFAOYSA-N	337.394	5.209	10	1	EKCF	
CN1C=C(/N=N/c2ccc(Br)c(C(F)(F)F)c2)CCC1	40846986	KPOBMYVIQXPBTG-VHEBQXMUSA-N	348.166	5.119	10	1	EKCF	
[N-]=[N+]=NCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl	1857647061	YEPZBAOFEXDWGN-UHFFFAOYSA-N	344.205	5.656	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1cccs1	169728165	RMXJWDJOYHYBPM-BUCDZPDJSA-N	335.404	5.995	10	1	EKCF	
COc1ccc(N(C)Cc2coc(-c3cccc4ccccc34)n2)cc1	72102694	IJRUCKLPJNRSIW-UHFFFAOYSA-N	344.414	5.140	10	1	EKCF	
COc1cccc(CCNc2c3ccccc3nc3ccccc23)c1	169305223	GLUBQAQYEQCHSQ-UHFFFAOYSA-N	328.415	5.051	10	1	EKCF	
O=C(O)/C=C\c1ccccc1Nc1c2ccccc2nc2ccccc12	40822997	ZZQKIPRBBJSMCG-YPKPFQOOSA-N	340.382	5.229	10	1	EKCF	
Nc1ccc(Oc2ccc3[nH]c(-c4ccc(Cl)cc4)nc3c2)cc1	587070815	XILTUYKQBZNMHQ-UHFFFAOYSA-N	335.794	5.258	10	1	EKCF	
CO[C@H]1C[C@H]2C(=CCCC2(C)C)Cc2c1cc(C(C)C)c(O)c2O	14515146	OUPCPSBUOGQSQC-ROUUACIJSA-N	330.468	5.218	10	1	EKCF	biogenic
CCCCCC[C@H](C)/N=N/c1nc(-c2cccc(OC)c2)cs1	169723885	PPNBFUPOVVBYSS-PXKHIBQASA-N	331.485	6.261	10	1	EKCF	
O=C(O)c1nc(Cl)c(Cl)c(/N=N/Cc2ccccc2)c1Cl	169690366	MKXQTCDXPBRVNW-HTXNQAPBSA-N	344.585	5.024	10	1	EKCF	
CCCCCc1cc2c(c(O)c1O)[C@H]1C=C(C)CC[C@H]1C(C)(C)O2	2356542322	XXGMIHXASFDFSM-JKSUJKDBSA-N	330.468	5.441	10	1	EKCF	
Cc1cc(CNCC2CCCCC2)c(C)n1-c1ccc(Cl)cc1	1911583426	WAVPZOUSDXJJIY-UHFFFAOYSA-N	330.903	5.417	10	1	EKCF	
CNc1ccc(Nc2c3ccccc3nc3ccccc23)cc1OC	26637339	AMINRPZLQRGENK-UHFFFAOYSA-N	329.403	5.182	10	1	EKCF	
Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@@H]1CC[C@@H]3O1	102856185	AWLAQNRPLGPJPL-PMACEKPBSA-N	326.399	5.300	10	1	EKCF	
CC1CCN([C@H](c2ccc(F)cc2)c2c(O)ccc3ccccc23)CC1	653711490	MQFPOAGQWSVTFW-HSZRJFAPSA-N	349.449	5.506	10	1	EKCF	
c1coc(C[C@@H]2CCC[C@@H]2Nc2c3ccccc3nc3ccccc23)c1	4064849	ZHIPZKZWXALREV-JXFKEZNVSA-N	342.442	5.804	10	1	EKCF	
Cc1cc(CN[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	1911576854	ULVIXJSUMHIHBY-INIZCTEOSA-N	338.882	5.598	10	1	EKCF	
Oc1ccc(CCCCCCCCCCc2ccccc2)cc1O	14651556	CYQZXLDTNYXYIB-UHFFFAOYSA-N	326.480	6.004	10	1	EKCF	biogenic
O=C(Nc1ccc(/N=N\c2ccccc2)cc1)c1cccc(Cl)c1	102767968	BVHXJXQDOFAUQY-FCQUAONHSA-N	335.794	6.008	10	1	EKCF	
CC(C)Oc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1	473085563	XWYIPKBRGPYXGP-UHFFFAOYSA-N	333.431	5.459	10	1	EKCF	
Cc1ccc2c3c(cc(C(C)(C)N=[N+]=[N-])nc13)-c1ccccc1C2=O	587099008	VQRZVOYATYKZSI-UHFFFAOYSA-N	328.375	5.300	10	1	EKCF	
CCCC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccccc21	32703949	PQWSKDUGGYGQND-UHFFFAOYSA-N	337.512	5.225	10	1	EKCF	
COc1ccc(O)c(O)c1CC1=C(C)CC[C@H]2C(C)(C)CCC[C@@]12C	13906462	UWJFOBFXVGMJMW-UGKGYDQZSA-N	344.495	5.592	10	1	EKCF	biogenic
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(O)c(O)cc1O	14822504	UDTBTPLHDZVTIK-BTMZFSHUSA-N	330.468	5.765	10	1	EKCF	
CCN(CC)CCCC[C@H](C)Nc1c2ccccc2nc2ccccc12	38150342	VDUMGUQXXZRYIF-SFHVURJKSA-N	349.522	5.701	10	1	EKCF	
Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C	587513560	CIYGATVEMDKJEY-OAQYLSRUSA-N	345.442	5.072	10	1	EKCF	
CCO[C@@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922085	JVJMGMCGOPDVLF-AWEZNQCLSA-N	344.455	5.454	10	1	EKCF	
CC1CCN([C@H](c2ccccc2)c2c(O)ccc3ccccc23)CC1	653711459	LYICCWVEBUDALB-HSZRJFAPSA-N	331.459	5.367	10	1	EKCF	
Cc1cccc2c(Nc3ccc(CC(=O)O)cc3)c3ccccc3nc12	26841742	ZKWVDMBFBVKQBD-UHFFFAOYSA-N	342.398	5.067	10	1	EKCF	
C/C(=C(F)\C=C\C(C)=C\C(=O)O)c1ccc2c(c1)CCCN2C(C)C	26969342	WGELFYOZDMFIJO-CJXOPABNSA-N	343.442	5.135	10	1	EKCF	
CCCCCc1cc2c(c(O)c1O)[C@@H]1C=C(C)CC[C@@H]1C(C)(C)O2	2356542320	XXGMIHXASFDFSM-CVEARBPZSA-N	330.468	5.441	10	1	EKCF	
COc1ccc(O)c(O)c1/C=C1\[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C	100967924	SJKXQWZJYOQHJG-PBCMMTHMSA-N	344.495	5.752	10	3	EKCF	
C[C@@H]1[C@H]2C=C(C=C3c4ccccc4CCc4ccccc43)C[C@@H]1CC2	36151758	RMNZMKPVCVYBDK-YHYVQYDKSA-N	326.483	6.209	10	1	EKCF	
C(=C1c2ccccc2CCc2ccccc21)[C@@H]1CCCN2CCCC[C@H]12	71294681	XXJSMJREPJTXFU-SQJMNOBHSA-N	343.514	5.481	10	1	EKCF	
CN1C=C2Sc3cc(N4CCCCC4)ccc3N=C2c2ccccc21	1857537984	MNXASDMUQALQHG-UHFFFAOYSA-N	347.487	5.195	10	1	EKCF	
C[C@@H](N=N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	82021283	OMPBWTGNNQKYIZ-NFJVIFTASA-N	330.516	5.346	10	1	EKCF	
Oc1[nH]c2ccc(Br)cc2c1N=Nc1ccccc1F	617960322	QAXBOKJNEWNGTH-UHFFFAOYSA-N	334.148	5.191	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccccc3)[nH]c12	587638401	OZAUXHMENXFLOT-UHFFFAOYSA-N	331.346	5.339	10	1	EKCF	
Cc1cccc(C)c1NC(=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12	28528590	JRPVQPWVUWBQRL-QURGRASLSA-N	342.786	5.460	10	1	EKCF	
CCCOc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1	473081811	FCJKRODRMVSYJK-UHFFFAOYSA-N	333.431	5.460	10	1	EKCF	
FC(F)(F)c1ccc(/N=N\Nc2ccc(C(F)(F)F)cc2)cc1	27978773	SABMCABGEBCGAB-UHFFFAOYSA-N	333.235	5.835	10	1	EKCF	
O=C(c1ccc(N=Nc2ccccc2)cc1)c1coc2ccccc12	587280650	PNYNDXKTPQMUFC-UHFFFAOYSA-N	326.355	6.079	10	1	EKCF	
c1coc(C[C@H]2CCC[C@@H]2Nc2c3ccccc3nc3ccccc23)c1	4064847	ZHIPZKZWXALREV-UZLBHIALSA-N	342.442	5.804	10	1	EKCF	
NCCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26845618	QQCSYMWRVVBTMH-UHFFFAOYSA-N	341.458	5.413	10	1	EKCF	
Cc1cc(O)c2c(c1)[C@H]([C@@H](C)CC[C@@H](O)C(C)(C)N=[N+]=[N-])CC[C@H]2C	84654342	SGHKSIXOIMWNMK-JTOWHCCKSA-N	345.487	5.548	10	1	EKCF	
Oc1ccccc1[C@H]1C[C@@H](c2c3ccccc3cc3ccccc23)N=N1	169724721	HOIAUMOAMFUMAG-RTWAWAEBSA-N	338.410	6.337	10	1	EKCF	
Cc1cc(C(=O)O)ccc1Nc1c2ccccc2nc2ccccc12	26847952	KPZKWHCNCCPJEM-UHFFFAOYSA-N	328.371	5.138	10	1	EKCF	
Cc1cccc(-c2sc(C(=O)N(C)c3cccc(C)c3)cc2O)c1	299837085	PJDYVVZLKMHFJM-UHFFFAOYSA-N	337.444	5.014	10	1	EKCF	
CC(C)Nc1ccc(Nc2ccnc3cc4ccccc4cc23)cc1	197907	ZKHLFXGNCPJHKW-UHFFFAOYSA-N	327.431	5.952	10	3	EKCF	
FC(F)(F)c1cc(/N=N\C2=C3CCCN3CCC2)ccc1Cl	40917346	UXGVEROISSGXOR-MRCUWXFGSA-N	329.753	5.544	10	1	EKCF	
Cc1ccc(-c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(F)c1	587146168	BUVFFGCIJSPIRR-UHFFFAOYSA-N	333.366	5.052	10	1	EKCF	
Cc1cc(-c2csc(-c3ccccc3)n2)c(C)n1-c1ccccc1F	587922236	LTVDQNCVDCZDCP-UHFFFAOYSA-N	348.446	6.024	10	1	EKCF	
Cc1cc(-c2csc(-c3cccnc3)n2)c(C)n1-c1ccccc1F	587922588	QRVRZMAKUGAVJH-UHFFFAOYSA-N	349.434	5.419	10	1	EKCF	
NCCCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26941011	FUDATWMAQRODJD-UHFFFAOYSA-N	327.431	5.023	10	1	EKCF	
Cc1cc(Br)cc2nc(CCCCCCN=[N+]=[N-])[nH]c12	587260309	QWADVPXLGPKMKS-UHFFFAOYSA-N	336.237	5.047	10	1	EKCF	
Cc1cc(C)c2c(c1)C(=O)C(=O)c1c(-c3ccc(Cl)cc3)coc1-2	45335434	DTWPFKHFFZJVRC-UHFFFAOYSA-N	336.774	5.263	10	1	EKCF	
Cc1cc2n(c1C)-c1ccc(Cl)cc1C(c1ccccc1F)=NC2	34588300	HVGIJSKJVDTHRX-UHFFFAOYSA-N	338.813	5.238	10	1	EKCF	
CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)cc(O)c1O	2356472480	YWKDEWTUYFUVHA-UHFFFAOYSA-N	330.468	5.765	10	1	EKCF	
Fc1cc(C(F)(F)F)cc2c1N[C@H](c1cccnc1)[C@H]1CC=C[C@@H]21	84670720	SXSFDMGRGILPDG-DVOMOZLQSA-N	334.316	5.066	10	1	EKCF	
C/C(=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C1CCCCC1	587968762	SWMBKRDPKNBNNA-FYWRMAATSA-N	347.462	5.921	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1	587260337	RNTXTIABDLPWPX-UHFFFAOYSA-N	329.301	5.134	10	1	EKCF	
Cc1cc(OCc2cccc(Cl)c2)cc(-n2c(C)ccc2C)n1	40556652	NCEYLPSUOCMOFL-UHFFFAOYSA-N	326.827	5.030	10	1	EKCF	
CC[C@@H](/N=N/c1ccnc2cc(Cl)ccc12)c1ccc(O)cc1	169689201	JXWGLWHJGHVGHK-VNRULFPQSA-N	325.799	5.829	10	1	EKCF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2ccc([C@@H](C)CC)cc12	587641371	FIBJIPXDWXEJKH-HNNXBMFYSA-N	344.502	6.711	10	1	EKCF	
COc1ccccc1Oc1c(Cl)cccc1-n1c(C)ccc1C	587939702	DXYSQYXYOGETMI-UHFFFAOYSA-N	327.811	5.548	10	1	EKCF	
CC(C)(CCCOc1ccc(/N=N/c2ccccc2)cc1)C(=O)O	72118646	OPDJXWIVOBMQMQ-QZQOTICOSA-N	326.396	5.372	10	1	EKCF	
Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1c(Cl)cccc1Cl	299849231	AUZIPXZKBRIGIJ-UHFFFAOYSA-N	347.205	5.196	10	1	EKCF	
O=C(O)CCCc1sccc1/N=N\c1c(O)ccc2ccccc12	15962060	WEIJHIKGHDELEJ-VXPUYCOJSA-N	340.404	5.430	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccc(F)cc3)[nH]c12	587638550	RVGMZOUJLZMNDN-UHFFFAOYSA-N	331.346	5.339	10	1	EKCF	
Cc1cc2c(n1-c1ccc(Oc3ccc(F)cc3)c(F)c1)CCCC2	587946529	YPPORRKQTISHBW-UHFFFAOYSA-N	339.385	5.735	10	1	EKCF	
COc1ccc(O)c(O)c1C=C1[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]12C	2356307346	SJKXQWZJYOQHJG-WTGRHJARSA-N	344.495	5.752	10	1	EKCF	
CCC=Cc1cc(OC)c2c(c1)[C@@H](CC)[C@@H](c1ccc(O)c(O)c1)O2	2356428625	RQKOIAPDBORABX-FOIQADDNSA-N	340.419	5.157	10	1	EKCF	
Nc1ccc(Oc2ccc3[nH]c(-c4cc5c(s4)CCC5)nc3c2)cc1	587037163	STKSQVGZNKDFGK-UHFFFAOYSA-N	347.443	5.155	10	1	EKCF	
CCN1C(=Cc2ccc3cc(F)ccc3[n+]2CC)C=Cc2ccccc21	1857538073	PADZNSHDVNUHCP-UHFFFAOYSA-N	345.441	5.181	10	1	EKCF	
[N-]=[N+]=NC(COc1cccc(Cl)c1)COc1cccc(Cl)c1	2178320121	JEDVAKBEZBAEBA-UHFFFAOYSA-N	338.194	5.130	10	1	EKCF	
Cc1cc(O)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c(Cl)c1	962663006	GPVWQEAMTRJCBI-JOCHJYFZSA-N	349.861	5.256	10	1	EKCF	
CO[C@@H]1C[C@@H]2C(=CCCC2(C)C)Cc2c1cc(C(C)C)c(O)c2O	14515138	OUPCPSBUOGQSQC-QZTJIDSGSA-N	330.468	5.218	10	1	EKCF	biogenic
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1cc(O)cc(O)c1O	14822507	YWKDEWTUYFUVHA-BTMZFSHUSA-N	330.468	5.765	10	1	EKCF	
Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccc(F)cc1	653806260	JWLRGUFLAQZHGK-UHFFFAOYSA-N	339.439	5.042	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2cccc(OCc3ccccc3)c2[nH]1	587260272	PMSYCYDDFKDCJS-UHFFFAOYSA-N	349.438	5.555	10	1	EKCF	
Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccccc1F	103974048	QAXBOKJNEWNGTH-VHEBQXMUSA-N	334.148	5.191	10	1	EKCF	
CCCCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587921891	FFAGSYMBYLGSLX-UHFFFAOYSA-N	342.483	6.089	10	1	EKCF	
CSc1ccc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc1	587925648	SFQODSTUCUEGPS-UHFFFAOYSA-N	326.490	5.265	10	1	EKCF	
COc1ccc(C/N=N/c2cc(C)nc3ccc(C)cc23)c(OC)c1	169691628	PAAQFUFUIGLJFA-XTQSDGFTSA-N	335.407	5.153	10	1	EKCF	
Cc1c(CCN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1	1857538208	VESLEFJKLIWBKA-UHFFFAOYSA-N	340.470	5.166	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1cccnc1	169728167	NLNWNCRYMSZWAO-DVTZCFGWSA-N	330.363	5.328	10	1	EKCF	
O=C(O)c1cccc2c(-c3cccnc3)c(-c3cccc(Cl)c3)[nH]c12	587639077	UVRFRYMDRVFWHL-UHFFFAOYSA-N	348.789	5.249	10	1	EKCF	
Nc1ccc(Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1	87612850	VCPAAINVTYMTKR-UHFFFAOYSA-N	336.247	5.443	10	1	EKCF	
C[C@@H](/N=N/c1ccc(Cl)c(Cl)c1)c1ccc(-n2ccnc2)cc1	169689473	AIQYFTDPDRXUEY-AFRFTAIISA-N	345.233	6.024	10	1	EKCF	
Nc1ccc(Oc2ccc3nc(/C=C\c4ccsc4)[nH]c3c2)cc1	587026359	UKVOATVDSDFFBU-QPIMQUGISA-N	333.416	5.169	10	1	EKCF	
COc1ccc(CCNc2c3ccccc3nc3ccccc23)cc1	169340567	AYFHUGWNAOPRRO-UHFFFAOYSA-N	328.415	5.051	10	1	EKCF	
O=C(O)c1ccc(/N=N/Cc2ccc(-c3cccc(Cl)c3)o2)cc1	169690794	XMYFIPZCARWCFP-QZQOTICOSA-N	340.766	5.582	10	1	EKCF	
CCc1ccc(CC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1	587945324	MBMBPDXCMXAMEO-UHFFFAOYSA-N	349.449	6.022	10	1	EKCF	
Cc1cc(CN[C@H]2C[C@@H]3CC[C@H]2C3)c(C)n1-c1ccc(Cl)cc1	1911572884	AQOFHIKLJHXTDD-GUXCAODWSA-N	328.887	5.026	10	1	EKCF	
O=C(O)CCc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	28001428	OTNZBINKURMOIR-UHFFFAOYSA-N	342.398	5.149	10	1	EKCF	
Cc1ccc2c(c1)C(=O)N(c1ccc(/N=N\c3ccccc3)cc1)C2=O	103212952	HRPYZGDPZDMVSD-FCQUAONHSA-N	341.370	5.211	10	1	EKCF	
Fc1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12	587078197	KNRPFFBDNRCTFI-JKDFXYPNSA-N	339.801	5.182	10	1	EKCF	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1cccc(F)c1)N2	4223039	XIMHWDQOXFCVJX-GDZNZVCISA-N	343.785	5.004	10	1	EKCF	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccccc3)c2c1	95575456	QOEOFYFNXKCGDY-UHFFFAOYSA-N	334.806	5.794	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1	169728112	YEZBCXVMVJDEQX-KWMNCDDFSA-N	345.409	5.020	10	1	EKCF	
CCc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587078389	PHWIOSKMAANVJL-MDOVXXIYSA-N	349.865	5.605	10	1	EKCF	
CCCN1[C@H](c2ccc(C)n2-c2ccccc2)c2ccccc2C[C@H]1C	963238938	ICQILFKTWGQJGD-DVECYGJZSA-N	344.502	5.532	10	1	EKCF	
Oc1ccc2ccccc2c1[C@@H](c1ccc(F)cc1)N1CCCCC1	653722474	OVJZZKDSXOTGGH-JOCHJYFZSA-N	335.422	5.260	10	1	EKCF	
Oc1ccc(C(=C2C3CCCC2CCC3)c2ccc(O)c(O)c2)cc1	13517903	JNRKHIYHBGUPTJ-UHFFFAOYSA-N	336.431	5.206	10	1	EKCF	
CCN(CC)c1cc(C)c(/C=C/c2ccnc3ccccc23)cc1C	72135112	SSKCQNLJLCJBFW-VAWYXSNFSA-N	330.475	5.868	10	1	EKCF	
Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@@H]1CC[C@H]3O1	72136894	AWLAQNRPLGPJPL-UXHICEINSA-N	326.399	5.300	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccccc3F)[nH]c12	587637407	IMMLVPJTMZNJME-UHFFFAOYSA-N	331.346	5.339	10	1	EKCF	
Oc1ccc2ccccc2c1[C@H](Nc1ccccc1)c1ccccc1	35287661	DEHFLWZOQVZVII-HSZRJFAPSA-N	325.411	5.747	10	1	EKCF	
CCCCCc1cc2c(c(O)c1O)[C@@H]1C=C(C)CC[C@H]1C(C)(C)O2	238742350	XXGMIHXASFDFSM-HZPDHXFCSA-N	330.468	5.441	10	1	EKCF	
Cc1ccc(C2=NC(=O)/C(=C/C34CC5CC(CC(C5)C3)C4)S2)cc1	299841240	YTDGFNFTKLQXLO-PDGQHHTCSA-N	337.488	5.115	10	1	EKCF	
Cc1cc(O)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c(Cl)c1	962663013	GPVWQEAMTRJCBI-QFIPXVFZSA-N	349.861	5.256	10	1	EKCF	
CCCCOC(=O)c1c(O)csc1Nc1ccc2ccccc2c1	169730413	SGRIMLVMSJPONL-UHFFFAOYSA-N	341.432	5.307	10	1	EKCF	
CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(C)n1-c1ccccc1	963238936	ICQILFKTWGQJGD-CYFREDJKSA-N	344.502	5.532	10	1	EKCF	
c1coc(C[C@H]2CCC[C@H]2Nc2c3ccccc3nc3ccccc23)c1	4064846	ZHIPZKZWXALREV-OXQOHEQNSA-N	342.442	5.804	10	1	EKCF	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]23)cc1	20033410	AFQXAOUQZPFYDQ-DBXWQHBBSA-N	333.431	5.335	10	1	EKCF	
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1	4140399	AFQXAOUQZPFYDQ-WAOWUJCRSA-N	333.431	5.335	10	1	EKCF	
CCCn1c(O)c(N=Nc2ccc3ccccc3n2)c2ccccc21	253981507	CWNNMLYAHBOAIW-UHFFFAOYSA-N	330.391	5.721	10	1	EKCF	
CCCCN(Cc1cccc(Cl)c1O)C(=S)Nc1ccccc1	45338408	HBCSFXYVXXYAFA-UHFFFAOYSA-N	348.899	5.045	10	1	EKCF	
CCc1ccc(CC)n1-c1cc(OC(C)C)c(Cl)cc1Cl	587943314	VOXRQIAJFJGHBY-UHFFFAOYSA-N	326.267	5.696	10	1	EKCF	
COC[C@@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922038	HRFJNOSGZOGVQO-GFCCVEGCSA-N	344.455	5.107	10	1	EKCF	
Cc1ccc(Cl)c2c(/N=N/c3ccccc3[N+](=O)[O-])c(O)[nH]c12	103941983	GVHBBBXEGNJGME-VHEBQXMUSA-N	330.731	5.159	10	1	EKCF	
O=C(O)c1cccc2c(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]c12	587638795	QHMKTQVEDGMUQH-UHFFFAOYSA-N	348.789	5.249	10	1	EKCF	
CCC=Cc1cc(OC)c2c(c1)[C@H](CC)[C@H](c1ccc(O)c(O)c1)O2	2356428628	RQKOIAPDBORABX-YWZLYKJASA-N	340.419	5.157	10	1	EKCF	
CC1CCN([C@H](c2cccs2)c2c(O)ccc3ccccc23)CC1	653706711	NPRUOOQZMHBMOT-OAQYLSRUSA-N	337.488	5.428	10	1	EKCF	
COc1ccc(O)c(O)c1CC1=C(C)CC[C@@H]2C(C)(C)CCC[C@]12C	13906461	UWJFOBFXVGMJMW-DENIHFKCSA-N	344.495	5.592	10	3	EKCF	biogenic
CC1=C[C@@H]2c3c(O)cc(CCCCN=[N+]=[N-])cc3OC(C)(C)[C@H]2CC1	27303301	VXWGWXQJCGNKDT-HOTGVXAUSA-N	341.455	5.636	10	1	EKCF	
Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@H]1CC[C@@H]3O1	72136895	AWLAQNRPLGPJPL-VQTJNVASSA-N	326.399	5.300	10	1	EKCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4ncccc4[nH]3)cc2)cc1	587196401	UJADNEVHTHHUIG-UHFFFAOYSA-N	342.406	5.106	10	1	EKCF	
CC1CCN([C@@H](c2ccc(F)cc2)c2c(O)ccc3ccccc23)CC1	653711494	MQFPOAGQWSVTFW-QHCPKHFHSA-N	349.449	5.506	10	1	EKCF	
Cc1ccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc2c1	212334409	MCCRYEZLPKHDCO-UHFFFAOYSA-N	338.414	5.185	10	1	EKCF	
COc1ccc(C/N=N/c2c(Cl)cc(Cl)cc2Cl)cc1	169690372	ZXZCKSWPYYRJNP-VHEBQXMUSA-N	329.614	5.939	10	1	EKCF	
Oc1ccc(/N=N\c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	13122379	GDVLXNQFILRYQG-IZHYLOQSSA-N	340.386	5.865	10	1	EKCF	
O=C(O)c1cccc2c(-c3cccc(F)c3)c(-c3ccc(F)cc3)[nH]c12	587638329	WYSIPRBBGAQAKR-UHFFFAOYSA-N	349.336	5.478	10	1	EKCF	
Cc1cc(C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1ccccc1	1772590104	OKBANFVYIVPARE-UHFFFAOYSA-N	340.426	5.500	10	1	EKCF	
Cc1ccc(-c2[nH]nc(N)c2/N=N\c2cccc(Cl)c2C)cc1	18165198	MZEPJOYPJMJTRQ-XDOYNYLZSA-N	325.803	5.345	10	1	EKCF	
COc1cccc(-c2csc(/N=N/Cc3c[nH]c4ccccc34)n2)c1	169723900	UIUSYUJRGZJMQF-XTQSDGFTSA-N	348.431	5.584	10	1	EKCF	
Oc1ccc(/C=C/c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)cc1	64744419	MDMSCZCYNMINHC-BSWSSELBSA-N	330.383	5.144	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccccn1	169728129	CEAUAWQXFDLSJC-DVTZCFGWSA-N	330.363	5.328	10	1	EKCF	
CC(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c1cc(C(=O)O)c(O)c2O	1857608153	DVALTTZEWZAZPV-MJBXVCDLSA-N	332.440	5.159	10	1	EKCF	
CCC=Cc1cc(OC)c2c(c1)[C@@H](CC)[C@H](c1ccc(O)c(O)c1)O2	2356428627	RQKOIAPDBORABX-QRWLVFNGSA-N	340.419	5.157	10	1	EKCF	
Cc1cc2c(n1-c1ccc(O)c(-c3ccccc3)c1)CC(C)(C)CC2=O	587926828	QABIEOWQYXMAFX-UHFFFAOYSA-N	345.442	5.313	10	1	EKCF	
Cc1cccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc12	212325016	OJVHWONHTGRQTM-UHFFFAOYSA-N	338.414	5.185	10	1	EKCF	
Cc1cc(-c2csc(C3CCCC3)n2)c(C)n1-c1ccccc1F	587922257	MQNJTBXCPOOIHI-UHFFFAOYSA-N	340.467	6.014	10	1	EKCF	
CCCCCC=CCC=CCCCCCCCc1ccc(O)c(O)c1	2356485829	UONZBNICTACWRW-UHFFFAOYSA-N	344.539	7.064	10	1	EKCF	
COc1ccccc1N=Nc1c(O)[nH]c2ccc(Br)cc12	253950937	AIQLNFJGGZNOHA-UHFFFAOYSA-N	346.184	5.060	10	1	EKCF	
Cc1ccc2c(/C=C/c3ccc(N(C)C)cc3)ccc(C(C)C)cc1-2	1649384	KQJFXUMXCAYMBT-JXMROGBWSA-N	329.487	6.460	10	1	EKCF	
COC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	5141051	XPQUXNYKZKQDIQ-UHFFFAOYSA-N	343.386	5.310	10	1	EKCF	
CCCn1c(O)c(/N=N\c2ccc3ccccc3n2)c2ccccc21	102743191	CWNNMLYAHBOAIW-FCQUAONHSA-N	330.391	5.721	10	1	EKCF	
CCN(CC)c1ccc(-c2nc(-c3ccc(C)c(C)c3)cs2)cc1	587920451	LHTXZGFCYPXVNI-UHFFFAOYSA-N	336.504	5.940	10	1	EKCF	
CO[C@H]1C[C@@H]2C(=CCCC2(C)C)Cc2c1cc(C(C)C)c(O)c2O	14515141	OUPCPSBUOGQSQC-MSOLQXFVSA-N	330.468	5.218	10	1	EKCF	biogenic,in-vitro
CCN(CC)c1ccc(CNc2c(-c3ccccc3)noc2C)cc1	1857614177	ZWWGHPLODJVWDD-UHFFFAOYSA-N	335.451	5.108	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccc(O)cc3)c21	1857633004	HVODDJILGFRDSI-UHFFFAOYSA-N	349.389	5.333	10	1	EKCF	
Cc1ccc(C)c(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c1	587959737	UBHZYSLAEUEABR-UHFFFAOYSA-N	343.430	5.145	10	1	EKCF	
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(C)cc(O)c(O)c1O	14612910	BACDZNLMIXNCOG-JTCWOHKRSA-N	344.495	6.074	10	1	EKCF	endogenous,in-man
CCOC(=O)c1c(C)[nH]c(N=Nc2cccc(C(F)(F)F)c2)c1C	1857598251	HCVAJJMQXWXRNP-UHFFFAOYSA-N	339.317	5.242	10	1	EKCF	
O=C(O)/C=C/c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26935438	LMVFFUJWDFBQPK-SDNWHVSQSA-N	340.382	5.229	10	1	EKCF	
CN(C)Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	29307847	WFOURUDCCXDEKT-UHFFFAOYSA-N	327.431	5.193	10	1	EKCF	
CCN(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26577237	KYSDIJGKWAITKX-UHFFFAOYSA-N	327.431	5.588	10	1	EKCF	
CC1(C)CCC(Cc2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC1	587959977	CWSQHWKFJDIWCS-UHFFFAOYSA-N	349.478	5.696	10	1	EKCF	
Cc1cc(/N=N/Cc2cccc(Br)c2)nc2ccccc12	169689460	IRLADQUIFKJBAO-XUTLUUPISA-N	340.224	5.590	10	1	EKCF	
CC1(C)CCSc2ccc(/N=N/c3ccc(C(=O)O)cc3)cc21	34186962	SGIBWEJJHGKEQJ-FMQUCBEESA-N	326.421	5.574	10	1	EKCF	
Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2-c2ccc(F)cc2)cc1	587638189	NWTVFKMRRQHMGC-UHFFFAOYSA-N	345.373	5.648	10	1	EKCF	
Cc1cc(C)cc([C@H](c2c(O)ccc3ccccc23)N2CCCCC2)c1	653711361	CZHIFCDMEPDAPO-XMMPIXPASA-N	345.486	5.738	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccccn3)c(-c3ccc(Cl)cc3)[nH]c12	587638026	IHJZIJGXGJZBJN-UHFFFAOYSA-N	348.789	5.249	10	1	EKCF	
O=C(O)c1ccc(Cl)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1F)N2	4828570	XORRMCWMRYNNOM-DINDLPBHSA-N	343.785	5.004	10	1	EKCF	
Cc1cc(-c2csc(-c3cnco3)n2)c(C)n1-c1ccccc1F	587922294	NRQYBVJDZUZULO-UHFFFAOYSA-N	339.395	5.012	10	1	EKCF	
Oc1ccccc1/N=N\c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	13122225	ATEQMZYYZRYXHI-IZHYLOQSSA-N	340.386	5.865	10	1	EKCF	
CN(C)c1ccc(/C=C/c2ccnc3c(Cl)ccc(Cl)c23)cc1	36381144	AFWLJQSGNPSGNI-ZZXKWVIFSA-N	343.257	5.778	10	1	EKCF	
COc1ccc2nc(/N=N\c3ccc(O)c4ccccc34)sc2c1	13124107	AHQVSLCYCQPFFF-MRCUWXFGSA-N	335.388	5.579	10	1	EKCF	
Clc1cccc(Cl)c1C/N=N/c1c(Cl)cncc1Cl	169690349	XUNMTFQIJRSGQB-VHEBQXMUSA-N	335.021	5.979	10	1	EKCF	
CC[N+](CC)(CC)c1ccc(/C=C/c2ccc3ccccc3n2)cc1	36381196	FQGYRDNJJXCOFJ-RVDMUPIBSA-N	331.483	5.772	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccccc1	169728128	GDPDZSWLUPLGHK-JNEGGWAFSA-N	329.375	5.933	10	1	EKCF	
Cc1ccc(Cl)c2c(N=Nc3ccccc3[N+](=O)[O-])c(O)[nH]c12	617995259	GVHBBBXEGNJGME-UHFFFAOYSA-N	330.731	5.159	10	1	EKCF	
C[C@H](CCCN1CCCC1)Nc1c2ccccc2nc2ccccc12	29562917	ADZYAMKAMJQCOA-QGZVFWFLSA-N	333.479	5.064	10	1	EKCF	
Oc1cccc(/C=C/c2ccc(/C=C/c3ccc(O)c(O)c3)cc2)c1	64513704	CFVUBIICSYLCEU-GFULKKFKSA-N	330.383	5.144	10	1	EKCF	
c1ccc(-c2cc3c(n2-c2ccccc2)C[C@H](c2ccccc2)C3)cc1	1772603369	PFABQBKYUHXGFO-OAQYLSRUSA-N	335.450	6.027	10	1	EKCF	
c1ccc(-c2nn(-c3ccccc3)c(-c3ccccc3)c3cccc2-3)cc1	3029339	VTYCBHZYQUCNBA-UHFFFAOYSA-N	346.433	6.311	10	1	EKCF	biogenic
Oc1[nH]c2ccc(Br)cc2c1/N=N/c1ccc(F)cc1	101777461	FRKWHJNOUBRZFC-VHEBQXMUSA-N	334.148	5.191	10	1	EKCF	
CN(C)[C@@H]1CCCCC(=C2c3ccccc3CCc3ccccc32)C1	169332784	MEFRCZCLXINVIT-OAQYLSRUSA-N	331.503	5.481	10	1	EKCF	
CC(C)=CCC/C(C)=C\c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1	587966683	DREPAYWIWRJYDL-SSZFMOIBSA-N	347.462	6.087	10	1	EKCF	
COc1ccc(O)c(O)c1/C=C1\[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C	100967928	SJKXQWZJYOQHJG-KCKGULOMSA-N	344.495	5.752	10	3	EKCF	
c1ccc(Nc2ccc(NCCc3c[nH]c4ccccc34)cc2)cc1	199265648	YRBFCXKQBSSONR-UHFFFAOYSA-N	327.431	5.566	10	3	EKCF	
Cc1cc(O)c2c(c1)[C@H]([C@@H](C)CC[C@H](N=[N+]=[N-])C(C)(C)O)CC[C@H]2C	84654344	NPDLCDPSQRIEAA-KRXQYRFLSA-N	345.487	5.548	10	1	EKCF	
O=[N+]([O-])c1ccc(C/N=N/c2c3c(nc4ccccc24)CCCC3)cc1	169727998	RVVCPHZGRBFHAU-XTQSDGFTSA-N	346.390	5.306	10	1	EKCF	
COc1cc2c(cc1Cl)/C(=C\CCN(C)C)c1ccccc1S2	33306242	XAFCDVVTUZRLTJ-JYRVWZFOSA-N	345.895	5.197	10	3	EKCF	
Cc1ccc(-c2nc(/N=N/Cc3ccncc3)c3ccccc3n2)cc1	169688335	HRKZLOUJWAFMEC-WNAAXNPUSA-N	339.402	5.284	10	1	EKCF	
CCSc1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1	473081665	CUWMWKJTEOWLDV-UHFFFAOYSA-N	335.472	5.783	10	1	EKCF	
Clc1ccc(/N=N/Nc2ccc(Cl)c(Cl)c2)cc1Cl	6092054	DJNJWUBWQLGVRV-UHFFFAOYSA-N	335.021	6.411	10	1	EKCF	
CN(C)Cc1cccc(Nc2c3ccccc3nc3ccccc23)c1	26940373	YGUUZTVGWCJPDT-UHFFFAOYSA-N	327.431	5.193	10	1	EKCF	
Fc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587078530	UTTPNLBHLZJTDL-JCGVRSQUSA-N	339.801	5.182	10	1	EKCF	
Oc1ccc(-c2ncc(-c3ccc(Oc4ccccc4)cc3)o2)cc1O	1857748022	ALHJGMBPNMGEFO-UHFFFAOYSA-N	345.354	5.212	10	1	EKCF	
Cc1cc(/N=N/Cc2ccccc2Br)nc2ccccc12	169689395	BWLMBFMGVOCGSV-XUTLUUPISA-N	340.224	5.590	10	1	EKCF	
CCc1cc2cc([C@@H](N=N)[C@H]3CC[C@@H](OC)CC3)ccc2nc1OC	169718740	IXMDLJBGHNEXKP-FNHZYXHNSA-N	341.455	5.083	10	1	EKCF	
CC(C)=CCCC(C)=CCCC(C)=CCc1cc(O)c(O)cc1O	2356415722	UDTBTPLHDZVTIK-UHFFFAOYSA-N	330.468	5.765	10	1	EKCF	
CSc1cccc(-n2c(C)cc(-c3csc(C4CC4)n3)c2C)c1	587924516	BDMZOGXYDIFSBL-UHFFFAOYSA-N	340.517	5.817	10	1	EKCF	
[N-]=[N+]=NCCCc1ccc(-c2ccc(-c3cccs3)s2)s1	1772612139	PAALDZJLFILXOO-UHFFFAOYSA-N	331.491	6.448	10	1	EKCF	
CN(C)c1ccc(N=Nc2ccc(-c3nc4ccncc4[nH]3)cc2)cc1	587196385	UHNTWHQIWOZLPQ-UHFFFAOYSA-N	342.406	5.106	10	1	EKCF	
CCCC/C=C\CCCCCCCCCc1cc(OC)cc(O)c1O	70454799	XWRQWTMMWGJASS-SREVYHEPSA-N	348.527	6.516	10	1	EKCF	biogenic,in-vitro
[N-]=[N+]=NCc1ccc(/C=C2\C=C(CC(=O)O)c3cc(F)ccc32)cc1	40848388	YEZBAAFVXWXQDA-VGOFMYFVSA-N	335.338	5.048	10	1	EKCF	
CCCCC/C=C\C/C=C\CCCCCCCc1cccc(O)c1O	196453887	ALEDXSBPMQVUIV-HZJYTTRNSA-N	344.539	7.064	10	1	EKCF	
Oc1cc(C(F)(F)F)ccc1CNc1ccc(C2CCCCC2)cc1	473084645	TTWKDLKNISCKJN-UHFFFAOYSA-N	349.396	6.071	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1	587260548	TUHUCOUADIGBQZ-UHFFFAOYSA-N	345.756	5.648	10	1	EKCF	
CCCC(CCC)(c1ccc(O)c(C)c1)c1cc(C)c(O)c(O)c1	1772642892	OBADNWGWZBVXMU-UHFFFAOYSA-N	328.452	5.307	10	1	EKCF	
COc1ccc2nc(/N=N/c3c(O)ccc4ccccc34)sc2c1	13122975	MPIBXZYNRVPXKA-QZQOTICOSA-N	335.388	5.579	10	1	EKCF	
c1ccc([C@@H](/N=N/c2nc3ccccc3s2)c2ccccn2)cc1	169686675	XYTANBRTRZCNAC-KGNHYALCSA-N	330.416	5.565	10	1	EKCF	
CCn1c(O)c(/N=N/c2ccc(Cl)c(C(=O)O)c2)c2ccccc21	6359483	ITZGLLRBXMANQD-FMQUCBEESA-N	343.770	5.134	10	1	EKCF	
Fc1cc(C(F)(F)F)cc2c1N[C@@H](c1cccnc1)[C@H]1CC=C[C@@H]21	84670722	SXSFDMGRGILPDG-WWGRRREGSA-N	334.316	5.066	10	1	EKCF	
CN1CCC/C1=C\N=N\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	40918395	CWZBELLUPJAGEG-LXERLYIHSA-N	337.267	5.375	10	1	EKCF	
Cc1cc(N2CCCC2)cc(C)c1OC12CC3CC(CC(C3)C1)C2	39239937	MLJURJKKNTVHRN-UHFFFAOYSA-N	325.496	5.251	10	1	EKCF	
Fc1ccc2c(NCc3nc4ccccc4[nH]3)c3ccccc3nc2c1	212334502	XFJXMQVRQCQXBG-UHFFFAOYSA-N	342.377	5.016	10	1	EKCF	
C[C@@H](CCCN1CCCCC1)Nc1c2ccccc2nc2ccccc12	29557895	KRZSXYWPPRFPMB-SFHVURJKSA-N	347.506	5.455	10	1	EKCF	
CCc1ccc(O)c([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)c1	962674360	WLUGRXKOFOTZNM-XMMPIXPASA-N	343.470	5.031	10	1	EKCF	
Nc1ccc(Oc2ccc3nc(-c4ccoc4C4CC4)[nH]c3c2)cc1	586901561	MZVMZMPRUKVTPW-UHFFFAOYSA-N	331.375	5.075	10	1	EKCF	
CN(C)c1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1	40860403	WYBWVNHXJFKPTG-UHFFFAOYSA-N	347.849	5.851	10	1	EKCF	
Nc1nc(-c2ccccc2)c(/N=N\c2cccc3ccccc23)s1	15974013	QAEAFNVULNJJSX-FCQUAONHSA-N	330.416	5.961	10	1	EKCF	
CCCc1nc(-c2cc(C)n(-c3cccc(SC)c3)c2C)cs1	587924051	AVECRRMKVCJHJY-UHFFFAOYSA-N	342.533	5.892	10	1	EKCF	
Fc1ccc(/N=N/c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1	72176823	WPOYWKOOBSNZAR-OCOZRVBESA-N	333.341	6.529	10	1	EKCF	
Fc1c(F)c(F)c(/N=N/Cc2c[nH]c3ccccc23)c(F)c1F	169688445	HDIRDSLCCLOPHE-GHVJWSGMSA-N	325.240	5.147	10	1	EKCF	
Clc1ccc(/N=N/Nc2ccc(Cl)cc2Cl)c(Cl)c1	169312073	UFMGRPLEPYIMNG-UHFFFAOYSA-N	335.021	6.411	10	1	EKCF	
Oc1ccccc1CNc1ccc(-c2ccc(C(F)(F)F)cc2)cc1	473082316	HFQBWQFOPYBKGF-UHFFFAOYSA-N	343.348	5.690	10	1	EKCF	
C[C@H]1[C@H]2CC[C@H]1C=C(C=C1c3ccccc3CCc3ccccc31)C2	169354152	RMNZMKPVCVYBDK-WTNAPCKOSA-N	326.483	6.209	10	1	EKCF	
Oc1ccccc1[C@@H]1C[C@@H](c2c3ccccc3cc3ccccc23)N=N1	169724720	HOIAUMOAMFUMAG-SFTDATJTSA-N	338.410	6.337	10	1	EKCF	
Cc1ccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c2c1	587077867	BLJRLJOVLNBXFR-KSMMKXTCSA-N	335.838	5.351	10	1	EKCF	
Cc1cccc(/N=N/c2c(O)[nH]c3ccc(Br)cc23)c1	101776558	UCENYMHTEPBCOL-VHEBQXMUSA-N	330.185	5.360	10	1	EKCF	
Oc1[nH]c2ccccc2c1/N=N/c1c(F)c(F)c(Cl)c(F)c1F	101844128	CKJOOAVXLBYVNK-QURGRASLSA-N	343.667	5.499	10	1	EKCF	
CC[C@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922316	OGAFHWXKNCNDQG-LBPRGKRZSA-N	328.456	5.870	10	1	EKCF	
C[C@@H](CC[C@H]1C[C@@H](C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689745	CKMSVPYIEOVFBX-JEHWSIFFSA-N	343.452	5.014	10	1	EKCF	
C[C@H](CCCN1CCCCC1)Nc1c2ccccc2nc2ccccc12	29557899	KRZSXYWPPRFPMB-GOSISDBHSA-N	347.506	5.455	10	1	EKCF	
COc1ccc(O)c(O)c1C[C@@]1(C)C2=C(CC[C@@H]1C)C(C)(C)CCC2	40846572	AGEFXWVFOLKJRQ-RCDICMHDSA-N	344.495	5.592	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1nccs1	169728126	GCEXZQZJQFEHAA-SMJZXVPRSA-N	336.392	5.390	10	1	EKCF	
Cc1cccc(N=Nc2c(O)[nH]c3ccc(Br)cc23)c1	299813334	UCENYMHTEPBCOL-UHFFFAOYSA-N	330.185	5.360	10	1	EKCF	
CCCCc1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922914	YWHVNSCWVCBGTQ-UHFFFAOYSA-N	328.456	5.699	10	1	EKCF	
c1ccc(-c2cc3c(n2-c2ccccc2)C[C@@H](c2ccccc2)C3)cc1	1772603367	PFABQBKYUHXGFO-NRFANRHFSA-N	335.450	6.027	10	1	EKCF	
Oc1ccccc1CNc1ncccc1-c1cccc2ccccc12	621430226	OOAMALUXPNZZKK-UHFFFAOYSA-N	326.399	5.220	10	1	EKCF	
Cc1cc2nc(CCCCCCN=[N+]=[N-])[nH]c2cc1Br	587259660	HDAKPRSQUWXVTL-UHFFFAOYSA-N	336.237	5.047	10	1	EKCF	
Cc1ccc(C)n1-c1ccccc1NC(=S)Nc1ccccc1F	653806230	GRMXNXXAYHYXEF-UHFFFAOYSA-N	339.439	5.042	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccc(F)cc3)c(-c3ccc(F)cc3)[nH]c12	587638910	XRIFNYPQGMUKLF-UHFFFAOYSA-N	349.336	5.478	10	1	EKCF	
c1coc(C[C@@H]2CCC[C@H]2Nc2c3ccccc3nc3ccccc23)c1	4064848	ZHIPZKZWXALREV-OXJNMPFZSA-N	342.442	5.804	10	1	EKCF	
CC1=C(Cc2ccc(O)c(O)c2O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1	26163790	TZVLOZZTSNKVDW-LAUBAEHRSA-N	330.468	5.289	10	1	EKCF	
CCO[C@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922086	JVJMGMCGOPDVLF-CQSZACIVSA-N	344.455	5.454	10	1	EKCF	
Oc1ccccc1[C@H]1C[C@H](c2ccccc2)Sc2ccccc2N1	89469016	ZJBNTOVKONIHLQ-WIYYLYMNSA-N	333.456	5.783	10	1	EKCF	
Cc1cccc(/N=N\c2c(O)[nH]c3ccc(Br)cc23)c1	13122373	UCENYMHTEPBCOL-HNENSFHCSA-N	330.185	5.360	10	1	EKCF	
CC(C)=CCCC(C)=CCCC(C)=CCc1c(C)cc(O)c(O)c1O	2356553470	BACDZNLMIXNCOG-UHFFFAOYSA-N	344.495	6.074	10	1	EKCF	
Cc1ccc(C)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc12	587077938	CJDUZTKJKZCCIK-MDOVXXIYSA-N	349.865	5.660	10	1	EKCF	
Cc1cc(OCc2cccc(Cl)c2)cc(-n2c(C)ccc2C)c1	36352021	VVFMNOAXGYGUKJ-UHFFFAOYSA-N	325.839	5.635	10	1	EKCF	
CC(=O)N(C)c1cccc(Nc2c3ccccc3nc3ccccc23)c1	26935727	GTRCKPKXHWPAEJ-UHFFFAOYSA-N	341.414	5.114	10	1	EKCF	
Cc1cccc2c1cc1n2-c2ccccc2N[C@H]1c1ccccc1O	71420776	COBSGBBJDHRSRK-QFIPXVFZSA-N	326.399	5.159	10	1	EKCF	
CCSc1ccc(-c2ccc(NCc3ccccc3O)cn2)cc1	473085998	ZTYQEMPCJDPNMI-UHFFFAOYSA-N	336.460	5.178	10	1	EKCF	
CC1=Nc2ccccc2OC(C)=C1/N=N/c1ccc2[nH]c(C)nc2c1	5890863	XXAMRWRZTUSBGB-WCWDXBQESA-N	331.379	5.372	10	1	EKCF	
Cc1cc(-c2csc(CC3CC3)n2)c(C)n1-c1ccccc1F	587921989	FXYANDDXBAXMNF-UHFFFAOYSA-N	326.440	5.309	10	1	EKCF	
O=C(O)CCc1cccc(Nc2c3ccccc3nc3ccccc23)c1	26852206	QLRHSWXBXNMHJO-UHFFFAOYSA-N	342.398	5.149	10	1	EKCF	
CC1CCN([C@@H](c2cccs2)c2c(O)ccc3ccccc23)CC1	653706709	NPRUOOQZMHBMOT-NRFANRHFSA-N	337.488	5.428	10	1	EKCF	
CCCC[n+]1c(/C=C/c2c[nH]c3ccccc23)cc(N)c2ccccc21	96914085	XXFSCUWKMWWOFM-UHFFFAOYSA-O	342.466	5.161	10	1	EKCF	
Cc1cc(-c2csc(-c3ccoc3)n2)c(C)n1-c1ccccc1F	587922693	SPKJFFVURWEAGU-UHFFFAOYSA-N	338.407	5.617	10	1	EKCF	
C(=C/c1ccnc2ccccc12)\c1cc2c3c(c1)CCCN3CCC2	16975262	FKLGFKSEDWKIPZ-MDZDMXLPSA-N	326.443	5.104	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(SC(F)(F)F)cc2[nH]1	587259344	DBMUGNXEAOJGRE-UHFFFAOYSA-N	343.378	5.588	10	1	EKCF	
Cc1cc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)ccc1O	103281071	XKIBMXKGXXFPKV-OAQYLSRUSA-N	346.405	5.195	10	1	EKCF	
CCN(CC)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26579910	RSDMAKAJBGXVLZ-UHFFFAOYSA-N	341.458	5.978	10	1	EKCF	
Cc1cc(C)c(/N=N/c2c(C)cc(C)cc2[N+](=O)[O-])c([N+](=O)[O-])c1	100247979	SLRAGGABEWYGLN-ISLYRVAYSA-N	328.328	5.152	10	1	EKCF	
CCCCN(CCCC)c1ccc(Cn2ccc3ccccc32)cc1	36381213	PSSUJICULDHXCU-UHFFFAOYSA-N	334.507	6.096	10	1	EKCF	
C[C@H](C[C@H]1CC(C)(C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689754	IHLCMMBNROJUQG-YBMMYNDJSA-N	343.452	5.014	10	1	EKCF	
Fc1ccc(C/N=N/c2nc(-c3cccnc3)nc3ccccc23)cc1	169693945	JZZBFALQYUAITL-WNAAXNPUSA-N	343.365	5.115	10	1	EKCF	
CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(N(C)C)cc32)cc1	1592750	HPBQZMBEWSUYBI-HZHRSRAPSA-N	340.470	5.388	10	1	EKCF	
CC[C@@H](C(=O)Nc1ccccc1-n1c(C)ccc1C)c1ccccc1	95553568	VCUHAOLJKKZHQD-LJQANCHMSA-N	332.447	5.226	10	1	EKCF	
Cc1nn(-c2ccccc2)c(N)c1/N=N\c1ccc2ccccc2c1	8692027	ULIKPOUUZVBUAI-FCQUAONHSA-N	327.391	5.332	10	1	EKCF	
CO[C@@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922667	RXDSGYBDYOTPMK-ZDUSSCGKSA-N	330.428	5.064	10	1	EKCF	
Cn1ccc2c(-c3cncc4ccccc34)cc3c(c21)[C@H]1CC[C@H]3O1	102856188	AWLAQNRPLGPJPL-WOJBJXKFSA-N	326.399	5.300	10	3	EKCF	
CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CCN=[N+]=[N-])O2	96914569	COZYRFOFKOTOJH-FRYIKTPZSA-N	331.504	6.177	10	1	EKCF	
C[C@@H]1[C@H]2C=C(C=C3c4ccccc4CCc4ccccc43)C[C@H]1CC2	101037950	RMNZMKPVCVYBDK-ZPMCFJSWSA-N	326.483	6.209	10	1	EKCF	in-vivo
Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccc(C(F)(F)F)cc1	6522252	IOAHBGWMDCRODI-UHFFFAOYSA-N	332.321	5.554	10	1	EKCF	
CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)C=[N+]=[N-]	38141009	ZVZBWWAGIFGRBU-MLFLMRJSSA-N	328.500	6.002	10	1	EKCF	
O=C(O)c1ccccc1/N=N/Cc1ccc(-c2ccccc2Cl)o1	68735374	DXEQOPZWZBOVJA-QZQOTICOSA-N	340.766	5.582	10	1	EKCF	
Cc1cc(C)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1	587078257	MSIDXRVBFXQHLC-MDOVXXIYSA-N	349.865	5.660	10	1	EKCF	
Cc1cc(C)n2c1CN=C(c1ccccc1F)c1cc(Cl)ccc1-2	34588304	WTPZVQZCNRIBHN-UHFFFAOYSA-N	338.813	5.238	10	1	EKCF	
Nc1ccc(Oc2ccc3nc(CC4CCCCCC4)[nH]c3c2)cc1	587961638	VGGGRYCMMGEUSY-UHFFFAOYSA-N	335.451	5.450	10	1	EKCF	
CCc1ccc(CCCc2ccc(CN3CCCCC3)c(O)c2)cc1	473099744	GZQAYGPBBHGNHC-UHFFFAOYSA-N	337.507	5.116	10	1	EKCF	
CCc1c(-c2c(C)c3ccccc3n2C)nc2cccc3c2c1CC3	587211163	MRCDQNCSSHZDCZ-UHFFFAOYSA-N	326.443	5.363	10	1	EKCF	
CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(C)n1-c1ccccc1	963238940	ICQILFKTWGQJGD-YADARESESA-N	344.502	5.532	10	1	EKCF	
C[C@H](/N=N/c1nncc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	169690086	CBFPDFXWOHZQAF-ZIYMIIRRSA-N	341.758	5.036	10	1	EKCF	
Cc1cc(Cl)cc2c(/N=N/c3nc4ccccc4s3)c(O)[nH]c12	103966626	KASHMXJXECSLRI-QZQOTICOSA-N	342.811	5.860	10	1	EKCF	
Cc1c(Br)ccc2nc(CCCCCCN=[N+]=[N-])[nH]c12	587260615	WDPZPTZNYZJZEC-UHFFFAOYSA-N	336.237	5.047	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1	169728145	VCLSGNAXZGBKKU-ZRQYBVSLSA-N	344.421	5.625	10	1	EKCF	
Cc1ccc(O)c([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c1	104024428	YNHDRNGJRBSVFY-NRFANRHFSA-N	348.446	5.572	10	1	EKCF	
Cc1cc(O)c2c(c1)[C@H]([C@@H](C)CC[C@H](O)C(C)(C)N=[N+]=[N-])CC[C@H]2C	84654341	SGHKSIXOIMWNMK-KRXQYRFLSA-N	345.487	5.548	10	1	EKCF	
Cc1ccc(C(C)C)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1	587944323	CUSBILHNGDMQGU-UHFFFAOYSA-N	349.449	6.329	10	1	EKCF	
Cc1ccc(C)n1-c1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl	587942424	YSEMQZZOXTUFPG-UHFFFAOYSA-N	343.468	6.361	10	1	EKCF	
Cc1ccc(C(C)C)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1	587944226	AMLLHYJQNDJPJK-UHFFFAOYSA-N	327.374	5.980	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccncc1	169728170	QINUYPHGKYWGEZ-DVTZCFGWSA-N	330.363	5.328	10	1	EKCF	
Oc1c([C@@H](Nc2ccccc2)C2CCCCC2)ccc2cccnc12	653781577	GLJKIKYNEHNROT-FQEVSTJZSA-N	332.447	5.674	10	1	EKCF	
Oc1ccc2ccccc2c1[C@H](c1ccc(F)cc1)N1CCCCC1	653722475	OVJZZKDSXOTGGH-QFIPXVFZSA-N	335.422	5.260	10	1	EKCF	
Cc1cc(C)c2c(c1)C(=O)C(=O)c1c(-c3ccc(C)c(C)c3)coc1-2	45315108	ZJPTWVDCDDVQMT-UHFFFAOYSA-N	330.383	5.226	10	1	EKCF	
CCC(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26847049	ZYKULRNSKMJAPN-UHFFFAOYSA-N	341.414	5.480	10	1	EKCF	
CC[C@@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922313	OGAFHWXKNCNDQG-GFCCVEGCSA-N	328.456	5.870	10	1	EKCF	
CCN(CC)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1	587922640	GHEVRJDDUUMISU-UHFFFAOYSA-N	326.440	5.462	10	1	EKCF	
[N-]=[N+]=NC(COc1ccccc1Cl)COc1ccccc1Cl	2178320104	HTJXBURDYJFEAV-UHFFFAOYSA-N	338.194	5.130	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1	169728143	MFFJXUJKKFTGOQ-ZRQYBVSLSA-N	328.353	5.156	10	1	EKCF	
CC1(C)C[C@@H](CNc2c3ccccc3nc3ccccc23)C(C)(C)N1[O]	104955562	JBGLFPGKJMQLTR-HNNXBMFYSA-N	348.470	5.025	10	1	EKCF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2ccc(F)c(Cl)c12	587632321	UKTDIXIOYPDXCY-UHFFFAOYSA-N	340.829	5.990	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)[nH]c12	587637532	BWNQMFUNEYDGQU-UHFFFAOYSA-N	347.801	5.854	10	1	EKCF	
Clc1cccc(-c2ccc(C3Nc4cccc5cccc(c45)N3)o2)c1	36380493	BCQDKNFVDOYYGD-UHFFFAOYSA-N	346.817	6.289	10	3	EKCF	
Oc1[nH]c2ccccc2c1/N=N\c1c(F)c(F)c(Cl)c(F)c1F	13123087	CKJOOAVXLBYVNK-DQRAZIAOSA-N	343.667	5.499	10	1	EKCF	
O=C(O)/C=C\c1cccc(Nc2c3ccccc3nc3ccccc23)c1	111468615	DBFNPQYMRDEKPT-SEYXRHQNSA-N	340.382	5.229	10	1	EKCF	
COC[C@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922039	HRFJNOSGZOGVQO-LBPRGKRZSA-N	344.455	5.107	10	1	EKCF	
C[C@H]1[C@H]2C=C(C=C3c4ccccc4CCc4ccccc43)C[C@@H]1CC2	36151753	RMNZMKPVCVYBDK-WTOYTKOKSA-N	326.483	6.209	10	1	EKCF	
CN(C)c1ccc(-c2nc3cc(Cl)ccc3n2C2CCCC2)cc1	40915366	ADJLQPHOEDTFCZ-UHFFFAOYSA-N	339.870	5.538	10	1	EKCF	
Oc1ccccc1[C@@H]1C[C@H](c2c3ccccc3cc3ccccc23)N=N1	169724722	HOIAUMOAMFUMAG-LEWJYISDSA-N	338.410	6.337	10	1	EKCF	
C[C@H](N=N)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C	82021282	OMPBWTGNNQKYIZ-YZXCLFAISA-N	330.516	5.346	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccccc3F)c(-c3ccccc3)[nH]c12	587637216	FJZLVSSXMXFDCT-UHFFFAOYSA-N	331.346	5.339	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]c12	587638756	PCDMJDYTLHMNKB-UHFFFAOYSA-N	347.801	5.854	10	1	EKCF	
CC1=C[C@H]2c3c(O)cc(CCCCN=[N+]=[N-])cc3OC(C)(C)[C@H]2CC1	27303295	VXWGWXQJCGNKDT-CVEARBPZSA-N	341.455	5.636	10	1	EKCF	
C[C@H](O)CCCCCCCCCCCCc1cc(O)cc(O)c1O	14818241	AAMYMLZZYOONFN-INIZCTEOSA-N	338.488	5.018	10	1	EKCF	biogenic
Oc1ccccc1[C@H]1C[C@H](c2c3ccccc3cc3ccccc23)N=N1	169724723	HOIAUMOAMFUMAG-NHCUHLMSSA-N	338.410	6.337	10	1	EKCF	
C[C@H](CC[C@@H]1C[C@@H](C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689744	CKMSVPYIEOVFBX-AEVMYJIMSA-N	343.452	5.014	10	1	EKCF	
Oc1ccc2ccc(O)c([C@@H](Nc3ccccc3)c3ccccc3)c2c1	653798390	IYAWSZMBOQQDJQ-QHCPKHFHSA-N	341.410	5.453	10	1	EKCF	
Cc1nn(-c2ccccc2)c(N)c1/N=N/c1ccc2ccccc2c1	101645270	ULIKPOUUZVBUAI-GHVJWSGMSA-N	327.391	5.332	10	1	EKCF	
C=Cc1ccc(-c2nc3cc(Oc4ccc(N)cc4)ccc3[nH]2)cc1	586882199	VKBSEULWEOXGOZ-UHFFFAOYSA-N	327.387	5.247	10	1	EKCF	
Cc1cccc2nc([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)[nH]c12	587078333	OFDWZUFPCHQQCB-KSMMKXTCSA-N	335.838	5.351	10	1	EKCF	
Clc1cccc(/N=N\Nc2cccc(Cl)c2Cl)c1Cl	27985973	RCTOTUIVELFOIH-UHFFFAOYSA-N	335.021	6.411	10	1	EKCF	
Cc1ccc2[nH]c3c(c2c1)C(=O)c1ccc(CCCC(C)C)cc1C3=O	96914027	IJBZBRBJFNDEBL-UHFFFAOYSA-N	345.442	5.230	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2cc3nc4ccccc4nc3cc2[nH]1	587260293	QIHCMFBXGIUGJI-UHFFFAOYSA-N	345.410	5.073	10	1	EKCF	
Cc1cc(-c2csc(C3CCC3)n2)c(C)n1-c1ccccc1F	587921968	FLNAUAGKHBNVEE-UHFFFAOYSA-N	326.440	5.624	10	1	EKCF	
CC(=O)N(C)c1ccc(Nc2c3ccccc3nc3ccccc23)cc1	26841799	VDTFLYLRSNPLFG-UHFFFAOYSA-N	341.414	5.114	10	1	EKCF	
Cc1cc(CN[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	1911576855	ULVIXJSUMHIHBY-MRXNPFEDSA-N	338.882	5.598	10	1	EKCF	
CCN1/C(=C/c2sc3ccc(C)cc3[n+]2CC)C=Cc2ccccc21	5128454	CMOAUMJKOOHKSC-UHFFFAOYSA-N	347.507	5.411	10	3	EKCF	
CCN(CC)c1ccc(CN(C)c2c(-c3ccccc3)noc2C)cc1	1857604909	LHEWWNLRQYNEDY-UHFFFAOYSA-N	349.478	5.133	10	1	EKCF	
Cc1cc(Cl)cc2c(N=Nc3ccc([N+](=O)[O-])cc3)c(O)[nH]c12	617960111	RDDICJXXHXFVSH-UHFFFAOYSA-N	330.731	5.159	10	1	EKCF	
CCN(CC)c1ccc(/C=C/c2cc(Cl)nc3ccccc23)cc1	73417577	IJQCDEIRRRRIGF-FMIVXFBMSA-N	336.866	5.905	10	1	EKCF	
CCc1cc2cc([C@H](N=N)[C@H]3CC[C@@H](OC)CC3)ccc2nc1OC	169718742	IXMDLJBGHNEXKP-LSBZLQRGSA-N	341.455	5.083	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1cccnc1	169728168	NLNWNCRYMSZWAO-UKLXAMLDSA-N	330.363	5.328	10	1	EKCF	
Oc1[nH]c2ccccc2c1N=Nc1c(F)c(F)c(Cl)c(F)c1F	253961082	CKJOOAVXLBYVNK-UHFFFAOYSA-N	343.667	5.499	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1ccco1	169728142	MFFJXUJKKFTGOQ-KSADHVCASA-N	328.353	5.156	10	1	EKCF	
CCc1ccc(O)c([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)c1	962674357	WLUGRXKOFOTZNM-DEOSSOPVSA-N	343.470	5.031	10	1	EKCF	
CCn1c(O)c(/N=N\c2ccc(Cl)c(C(=O)O)c2)c2ccccc21	102322903	ITZGLLRBXMANQD-VXPUYCOJSA-N	343.770	5.134	10	1	EKCF	
Cc1cccc2c(Nc3ccc(C(=O)O)cc3)c3ccccc3nc12	26847704	SGRHITCORBPOJX-UHFFFAOYSA-N	328.371	5.138	10	1	EKCF	
Cc1cc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)ccc1O	103281068	XKIBMXKGXXFPKV-NRFANRHFSA-N	346.405	5.195	10	1	EKCF	
COc1cccc(-c2csc(/N=N/[C@@H](C)c3cccs3)n2)c1	169723890	QFOVBQFJVBKCHT-JPFDUWQRSA-N	329.450	5.725	10	1	EKCF	
Oc1ccc2ccc(O)c([C@H](Nc3ccccc3)c3ccccc3)c2c1	653798389	IYAWSZMBOQQDJQ-HSZRJFAPSA-N	341.410	5.453	10	1	EKCF	
Cc1cc(C)cc([C@@H](c2c(O)ccc3ccccc23)N2CCCCC2)c1	653711360	CZHIFCDMEPDAPO-DEOSSOPVSA-N	345.486	5.738	10	1	EKCF	
COc1ccc(O)c(O)c1C=C1[C@H](C)CC[C@H]2C(C)(C)CCC[C@@]12C	2356307345	SJKXQWZJYOQHJG-LNHNDHHWSA-N	344.495	5.752	10	1	EKCF	
CCN(CC)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1	587922742	ZDUWDMDKDGSEKE-UHFFFAOYSA-N	344.430	5.602	10	1	EKCF	
CCCc1sc(/N=N/Cc2ccccn2)nc1-c1ccc(F)cc1	169689419	PXYFHACZVOFRQH-XTQSDGFTSA-N	340.427	5.581	10	1	EKCF	
CCN(CC)CCC[C@@H](C)Nc1c2ccccc2nc2ccccc12	6382068	QRPXUGKLXFUGCX-QGZVFWFLSA-N	335.495	5.310	10	1	EKCF	
O=C(Nc1ccc(/N=N\c2ccccc2)cc1)c1ccccc1Cl	100486054	RXSBSLQMSAZXBX-FCQUAONHSA-N	335.794	6.008	10	1	EKCF	
O=C1NC(=S)/C(=C/c2ccc(OCCC3CCCCC3)cc2)S1	115794415	NOKSOGDEDZGKOG-VBKFSLOCSA-N	347.505	5.161	10	1	EKCF	
Clc1ccc(-c2csc(/N=N/Cc3cccnc3)n2)c(Cl)c1	169690453	FEJZSFWMNKBWQT-XUTLUUPISA-N	349.246	5.796	10	1	EKCF	
Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc2n1C	587513559	CIYGATVEMDKJEY-NRFANRHFSA-N	345.442	5.072	10	1	EKCF	
Oc1ccc(-c2ccccc2)cc1CN1CCC(c2ccccc2)CC1	11910150	DPRFBDNSYPCAOB-UHFFFAOYSA-N	343.470	5.439	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccccc1	169728127	GDPDZSWLUPLGHK-RCJUYNGUSA-N	329.375	5.933	10	1	EKCF	
CC[N+](CC)(CC)c1ccc(/C=C/c2ccnc3ccccc23)cc1	36381195	SQFRJUTZPWSTSX-SDNWHVSQSA-N	331.483	5.772	10	1	EKCF	
Cc1cc(CNCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	653845132	WETVJNKSAZGHAR-UHFFFAOYSA-N	338.882	5.080	10	1	EKCF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2cc(Cl)c(F)cc12	587631527	DSJOFLVSLSXJOR-UHFFFAOYSA-N	340.829	5.990	10	1	EKCF	
CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)C=[N+]=[N-]	169718894	ZVZBWWAGIFGRBU-AVHBIOJASA-N	328.500	6.002	10	1	EKCF	
Cc1cc(OC23CC4CC(CC(C4)C2)C3)cc(C)c1N1CCCC1	135869202	OQZRBTPGJJJYGW-UHFFFAOYSA-N	325.496	5.251	10	1	EKCF	
Fc1ccc(/N=N\C2=C3CCCCN3CCC2)cc1C(F)(F)F	40951757	YBOFICOZSWCDDN-DQRAZIAOSA-N	327.325	5.420	10	1	EKCF	
CC(C)(C)c1ccc(-c2ccc(NCc3ccccc3O)cc2)cc1	473085455	WQJYMCZSDOMDKP-UHFFFAOYSA-N	331.459	5.969	10	1	EKCF	
COc1ccc2nc3cc(Cl)ccc3c(NCc3ccccc3)c2c1	45227910	MSIOOXFOXSVHRH-UHFFFAOYSA-N	348.833	5.662	10	1	EKCF	
Cc1cc(Br)c2[nH]c(CCCCCCN=[N+]=[N-])nc2c1	587259951	KEKADBGZQYQIER-UHFFFAOYSA-N	336.237	5.047	10	1	EKCF	
COc1ccc(O)c(O)c1CC1=C(C)CC[C@H]2C(C)(C)CCC[C@]12C	3810610	UWJFOBFXVGMJMW-SIKLNZKXSA-N	344.495	5.592	10	3	EKCF	biogenic
[N-]=[N+]=NCCCCCCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1	587259952	KEKPEEVUFAJXDN-UHFFFAOYSA-N	347.422	5.207	10	1	EKCF	
CN(C)[C@H]1CCCCC(=C2c3ccccc3CCc3ccccc32)C1	169332785	MEFRCZCLXINVIT-NRFANRHFSA-N	331.503	5.481	10	1	EKCF	
COc1ccc(O)c(O)c1/C=C1\[C@H](C)CC[C@H]2C(C)(C)CCC[C@]12C	102237185	SJKXQWZJYOQHJG-OKABNRAISA-N	344.495	5.752	10	1	EKCF	
COc1ccc2nc3cc(Cl)ccc3c(N(C)c3ccccc3)c2c1	95573526	BZMGOMGFTADQFO-UHFFFAOYSA-N	348.833	5.818	10	1	EKCF	
Cc1cc(O)c2c(c1)[C@H]([C@@H](C)CC[C@@H](N=[N+]=[N-])C(C)(C)O)CC[C@H]2C	84654346	NPDLCDPSQRIEAA-JTOWHCCKSA-N	345.487	5.548	10	1	EKCF	
COc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@@H]21	169363583	SKKQABGIWDFDEH-LZNRXBQRSA-N	327.427	5.675	10	1	EKCF	
CCCn1c(O)c(/N=N/c2ccc3ccccc3n2)c2ccccc21	101948252	CWNNMLYAHBOAIW-GHVJWSGMSA-N	330.391	5.721	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccncc1	169728171	QINUYPHGKYWGEZ-UKLXAMLDSA-N	330.363	5.328	10	1	EKCF	
COc1cccc2c1N[C@@H](c1cccc3ccccc13)[C@@H]1CC=C[C@@H]21	169363582	SKKQABGIWDFDEH-JUXOCIIHSA-N	327.427	5.675	10	1	EKCF	
COc1ccc(O)c(O)c1/C=C1\[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]12C	102237189	SJKXQWZJYOQHJG-DRYFZWNCSA-N	344.495	5.752	10	1	EKCF	
Brc1ccc(-c2csc(/N=N/Cc3ccco3)n2)cc1	169687921	BZRGJDDJAGCDDR-FBMGVBCBSA-N	348.225	5.450	10	1	EKCF	
C[C@@H](/N=N/c1nncc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	169690085	CBFPDFXWOHZQAF-IFCKCTKYSA-N	341.758	5.036	10	1	EKCF	
Oc1c([C@@H](Nc2ccccc2)c2ccccc2)ccc2ccccc12	653808031	DOQQFJOMPXDRBO-QFIPXVFZSA-N	325.411	5.747	10	1	EKCF	
Nc1[nH]c(/N=N/c2nc(-c3ccc(F)cc3)cs2)c2ccccc12	101693015	MSLGDJPJOQVYIR-GHVJWSGMSA-N	337.383	5.428	10	1	EKCF	
CCc1ccc2[nH]c(O)c(/N=N\c3nc(-c4ccccc4)cs3)c2c1	17130540	LSWUQVQKEXUPFR-FCQUAONHSA-N	348.431	5.975	10	1	EKCF	
Clc1ccc2c(/N=N/C3=C4CCCCN4CCC3)ccnc2c1	45495623	FIABQNIBUGJIQQ-QURGRASLSA-N	326.831	5.463	10	1	EKCF	
Oc1ccccc1[C@@H]1CC(c2c3ccccc3cc3ccccc23)=NN1	71316433	JXDBUOPWCXRJKN-FQEVSTJZSA-N	338.410	5.137	10	1	EKCF	
COc1ccc(O)c(O)c1CC1=C(C)CC[C@@H]2C(C)(C)CCC[C@@]12C	6292	UWJFOBFXVGMJMW-KNQAVFIVSA-N	344.495	5.592	10	1	EKCF	biogenic
CC(C)c1ccc([C@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@H]23)cc1	111442341	AFQXAOUQZPFYDQ-LVCYWYKZSA-N	333.431	5.335	10	1	EKCF	
O=C1c2ccccc2-c2nc3ccc(Cl)cc3c(-c3ccccc3)c21	103266804	HFQQELCJIHOZTQ-UHFFFAOYSA-N	341.797	5.767	10	1	EKCF	
C[C@@H](C[C@@H]1CC(C)(C)OC1=O)/N=N/c1nc(-c2ccccc2)cs1	169689751	IHLCMMBNROJUQG-MCUKOEAXSA-N	343.452	5.014	10	1	EKCF	
CCCCOc1ccc2c(c1)N=C1C(=CN(C)c3ccccc31)S2	1857537647	IPTJQFJTLCDFKJ-UHFFFAOYSA-N	336.460	5.383	10	1	EKCF	
CC(C)=CCC[C@H](C)c1c(O)c(O)c(C)c2nc3ccccc3nc12	5930288	DLURXLKBFFIUFB-ZDUSSCGKSA-N	336.435	5.353	10	1	EKCF	biogenic
CCOc1ccc2c(c1)C(C)=CC(C)(C)N2Cc1ccc(F)c(F)c1	66251043	SNYHHDUHHKZSAU-UHFFFAOYSA-N	343.417	5.566	10	1	EKCF	
Cc1cc(-c2csc(-c3ccco3)n2)c(C)n1-c1ccccc1F	587922042	HTVSDBXLVUKHHO-UHFFFAOYSA-N	338.407	5.617	10	1	EKCF	
CCCCCC[C@@H](C)/N=N/c1nc(-c2cccc(OC)c2)cs1	169723884	PPNBFUPOVVBYSS-YYZBOFOMSA-N	331.485	6.261	10	1	EKCF	
CN1C=C(/N=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCC1	40972701	CAGAEVQCKRWOPC-QURGRASLSA-N	337.267	5.375	10	1	EKCF	
Nc1[nH]c(/N=N\c2nc(-c3ccc(F)cc3)cs2)c2ccccc12	8774416	MSLGDJPJOQVYIR-FCQUAONHSA-N	337.383	5.428	10	1	EKCF	
Fc1ccc(-c2csc(/N=N/Cc3cccc4ccccc34)n2)cc1	169728158	DJAUUGALFGCIKW-ZNTNEXAZSA-N	347.418	6.386	10	1	EKCF	
FC(F)(F)c1cc(/N=N\C2=C3CCCCN3CCC2)ccc1Cl	40423042	BWQKCLCDJDLDKH-DQRAZIAOSA-N	343.780	5.934	10	1	EKCF	
COc1ccc2nc3ccccc3c(NCCc3cccs3)c2c1	45245412	HWCBBTAEZDZXNL-UHFFFAOYSA-N	334.444	5.113	10	1	EKCF	
Cn1c(O)c(N=Nc2nc(-c3ccccc3)cs2)c2ccccc21	253986559	MHUVBYNOQINRTD-UHFFFAOYSA-N	334.404	5.423	10	1	EKCF	
Cc1cc2c(n1-c1cc(OC(C)C)c(Cl)cc1Cl)CCCC2	587942863	DGDAVMHLLSAJOS-UHFFFAOYSA-N	338.278	5.759	10	1	EKCF	
CCCCc1ccc(-n2c(C)cc3c2CCCC3)c(Br)c1	587935269	DDTRXGNZKSGBSU-UHFFFAOYSA-N	346.312	5.770	10	1	EKCF	
CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)C1	587970035	XMLCQPFSARBUNL-HUUCEWRRSA-N	349.478	5.867	10	1	EKCF	
CN(C)c1ccc(/C=C/c2ccnc3cc(Cl)cc(Cl)c23)cc1	36382750	XQNHOTTXWMISNK-ZZXKWVIFSA-N	343.257	5.778	10	1	EKCF	
COc1ccc2nc3cc(Cl)ccc3c(Nc3ccc(C)cc3)c2c1	72107678	HICBWDGPPUVAGQ-UHFFFAOYSA-N	348.833	6.102	10	1	EKCF	
Fc1ccc(-c2csc(/N=N/Cc3c[nH]c4ccccc34)n2)cc1	169728159	NEXFOIOCANLALC-XTQSDGFTSA-N	336.395	5.714	10	1	EKCF	
CO[C@H](C)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587922663	RXDSGYBDYOTPMK-CYBMUJFWSA-N	330.428	5.064	10	1	EKCF	
Cc1cc(-c2csc(CCC(C)C)n2)c(C)n1-c1ccccc1F	587921823	BDWOYQMIKIFSGB-UHFFFAOYSA-N	342.483	5.945	10	1	EKCF	
Clc1cc(N2CCCC2)ccc1OC12CC3CC(CC(C3)C1)C2	39239936	KALQCPAUZYNIRF-UHFFFAOYSA-N	331.887	5.288	10	1	EKCF	
CNc1ccc(Nc2c3ccccc3nc3cc(Cl)ccc23)cc1	40848719	HEIPHLNOBNZDAP-UHFFFAOYSA-N	333.822	5.827	10	1	EKCF	
C[N+]1=C(C=Cc2ccc(N3CCCCC3)cc2)C(C)(C)c2ccccc21	1857573357	DWGFRFQIXRMFEB-UHFFFAOYSA-N	345.510	5.396	10	1	EKCF	
C[C@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1ccccn1	169728130	CEAUAWQXFDLSJC-UKLXAMLDSA-N	330.363	5.328	10	1	EKCF	
CCCCc1ccc(-n2c(C)ccc2C(C)C)c(Br)c1	587936014	JAZPAXYHBDSIFF-UHFFFAOYSA-N	334.301	6.014	10	1	EKCF	
Cn1c(O)c(/N=N\c2nc(-c3ccccc3)cs2)c2ccccc21	13897734	MHUVBYNOQINRTD-MRCUWXFGSA-N	334.404	5.423	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1	587259647	GUDBQRRQRWQWSO-UHFFFAOYSA-N	345.756	5.648	10	1	EKCF	
Cc1cc2cc(O)c(O)cc2c(C)c1-c1ccccc1C(F)(F)F	6522253	RRHCHJKWTIPZON-UHFFFAOYSA-N	332.321	5.554	10	1	EKCF	
O=C(Nc1ccccc1)c1ccccc1/N=N\c1c[nH]c2ccccc12	103187555	DFUICHSEPDBZKZ-IZHYLOQSSA-N	340.386	5.836	10	1	EKCF	
CCCCC=CCCCCCCCCCc1cc(OC)cc(O)c1O	2356376835	XWRQWTMMWGJASS-UHFFFAOYSA-N	348.527	6.516	10	1	EKCF	
CCc1ccc2[nH]c(O)c(/N=N/c3nc(-c4ccccc4)cs3)c2c1	101826830	LSWUQVQKEXUPFR-GHVJWSGMSA-N	348.431	5.975	10	1	EKCF	
CCCCC/C=C\C/C=C\CCCCCCCc1ccc(O)c(O)c1	238767117	UONZBNICTACWRW-HZJYTTRNSA-N	344.539	7.064	10	1	EKCF	
CCN(Cc1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1	96937914	LJFGZVCSOHJFAK-UHFFFAOYSA-N	345.471	5.385	10	1	EKCF	
[N-]=[N+]=NCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1	34751359	KEIDSNMBGOKNMS-UHFFFAOYSA-N	329.363	5.155	10	1	EKCF	
COc1cccc(-c2csc(/N=N/[C@H](C)c3cccs3)n2)c1	169723891	QFOVBQFJVBKCHT-VFGLMNNVSA-N	329.450	5.725	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3ccccc3)cc(-c3cccc(O)c3)c21	1857761070	WPQVETDZVQWBDD-UHFFFAOYSA-N	349.389	5.333	10	1	EKCF	
Cc1cc(C)c2[nH]c(O)c(/N=N/C(=O)c3ccc(Cl)cc3)c2c1	103969414	PIWIFIPRQHIDSF-QZQOTICOSA-N	327.771	5.068	10	1	EKCF	
CCc1c(-c2c(C)c3ccccc3n2C)[nH]c2c(C)cc(Cl)cc12	587626930	KLVOUKSOWAOYGX-UHFFFAOYSA-N	336.866	6.159	10	1	EKCF	
Oc1ccccc1CNc1ncccc1-c1ccc2ccccc2c1	621430408	VJQYTFCJPLFXKS-UHFFFAOYSA-N	326.399	5.220	10	1	EKCF	
O=C(O)CCCc1sccc1N=Nc1c(O)ccc2ccccc12	253953008	WEIJHIKGHDELEJ-UHFFFAOYSA-N	340.404	5.430	10	1	EKCF	
Cc1sc(/N=N/CCCSc2ccc(Cl)cc2)nc1O	169724321	ZKVVWNNTYZCGMS-BMRADRMJSA-N	327.862	5.077	10	1	EKCF	
CCC(CC)c1nc(-c2cc(C)n(-c3ccccc3F)c2C)cs1	587921802	ADHHZXUEIQDHMR-UHFFFAOYSA-N	342.483	6.260	10	1	EKCF	
O=C(O)c1cccc2c(-c3ccc(Cl)cc3)c(-c3ccccn3)[nH]c12	587638473	MEVNVSLNHNPQJX-UHFFFAOYSA-N	348.789	5.249	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3cccc(O)c3)cc(-c3ccccc3)c21	1857635062	REUYUHKWKNFVCS-UHFFFAOYSA-N	349.389	5.333	10	1	EKCF	
Oc1ccc2c(=S)cc(-c3ccc(Br)cc3)oc2c1O	1772611134	FWOXOZMWVNBQGF-UHFFFAOYSA-N	349.205	5.003	10	1	EKCF	
COC(=O)Nc1ccccc1Nc1c2ccccc2nc2ccccc12	5318950	SCGALWCUJWXAMZ-UHFFFAOYSA-N	343.386	5.310	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1cccs1	169728144	VCLSGNAXZGBKKU-KSADHVCASA-N	344.421	5.625	10	1	EKCF	
Nc1ccc(Oc2ccc3nc(/C=C/c4ccsc4)[nH]c3c2)cc1	587026363	UKVOATVDSDFFBU-UNXLUWIOSA-N	333.416	5.169	10	1	EKCF	
CCN(CC)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1	587921976	FAQXGVFSICZLQV-UHFFFAOYSA-N	344.430	5.602	10	1	EKCF	
Cc1cc(-c2csc(CC(C)C)n2)c(C)n1-c1ccccc1F	587922671	RZGRURXXQMXYBQ-UHFFFAOYSA-N	328.456	5.555	10	1	EKCF	
CCC=CCC=CCC=CCCCCCCCc1cccc(O)c1O	2356761358	BJARVMBFQSZZRH-UHFFFAOYSA-N	342.523	6.840	10	1	EKCF	
COc1cccc(OC)c1Nc1c2ccccc2nc2ccccc12	26843753	KLVPLWWQJHLTQU-UHFFFAOYSA-N	330.387	5.149	10	1	EKCF	
CCCCCC=CCC=CCCCCCCCc1cccc(O)c1O	2356528587	ALEDXSBPMQVUIV-UHFFFAOYSA-N	344.539	7.064	10	1	EKCF	
CN(C)c1ccc(/C=C/N2C=CCc3c2ccc2ccccc32)cc1	102854885	BWSUEFYVJWATIP-BMRADRMJSA-N	326.443	5.453	10	1	EKCF	
O=C1c2ccccc2-c2nc(-c3ccccc3)cc(-c3ccccc3O)c21	1857630872	TUKZMNMEHZKMFN-UHFFFAOYSA-N	349.389	5.333	10	1	EKCF	
COc1cccc2c(Nc3nc4ccccc4[nH]3)c3ccccc3nc12	212342801	OVTLFTFZAXPLRW-UHFFFAOYSA-N	340.386	5.017	10	1	EKCF	
[N-]=[N+]=NCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21	82155365	HGQQNLINMKPHMU-UHFFFAOYSA-N	331.379	5.179	10	1	EKCF	
[N-]=[N+]=NCCCCCCNc1nc2c(s1)CSc1ccccc1-2	96905938	FIABMYWSQCMKEU-UHFFFAOYSA-N	345.497	5.698	10	1	EKCF	
CCOC(=O)c1sc2ccccc2c1/N=N/Nc1ccc(C)cc1	299838772	NXVAZVCKCMHMNM-UHFFFAOYSA-N	339.420	5.497	10	1	EKCF	
c1ccc(-c2cccc(/N=N/c3cccc(-c4ccccn4)n3)n2)nc1	35653990	OXRPJAZNFFKTQT-OCEACIFDSA-N	338.374	5.016	10	1	EKCF	
O=C(O)c1cc(/N=N/Cc2c(O)ccc3ccccc23)ccc1Cl	169690405	WROMVOQHZJGASA-QZQOTICOSA-N	340.766	5.181	10	1	EKCF	
C/C(=C/c1nc2ccc(Oc3ccc(N)cc3)cc2[nH]1)C1CCCCC1	587968763	SWMBKRDPKNBNNA-SQFISAMPSA-N	347.462	5.921	10	1	EKCF	
[N-]=[N+]=NCCCCCCc1nc2ccc(Oc3ccccc3)cc2[nH]1	587260316	QZGNYXUTQWQCGZ-UHFFFAOYSA-N	335.411	5.768	10	1	EKCF	
Fc1ccc(-c2csc(/N=N/Cc3ccc(Cl)cc3)n2)cc1	169725929	YRXTXUKXCLYNKJ-XUTLUUPISA-N	331.803	5.887	10	1	EKCF	
Cc1cc(-c2csc([C@H]3CCCO3)n2)c(C)n1-c1ccccc1F	587921896	FGLLLRZEKWEOHM-GOSISDBHSA-N	342.439	5.208	10	1	EKCF	
Brc1ccc2c(-c3ccccc3)n[nH]c(-c3ccccc3)c1-2	3152623	UGRLJBKVKOMWRZ-UHFFFAOYSA-N	349.231	5.611	10	1	EKCF	biogenic
O=C(O)CCc1ccccc1Nc1c2ccccc2nc2ccccc12	26841878	KKSABIHIBDWPQT-UHFFFAOYSA-N	342.398	5.149	10	1	EKCF	
FC(F)(F)c1cccc(/N=N\Nc2cccc(C(F)(F)F)c2)c1	27982952	NUMNARQMYFTCGO-UHFFFAOYSA-N	333.235	5.835	10	1	EKCF	
COc1ccc2nc3ccccc3c(Nc3nc4ccccc4[nH]3)c2c1	212342697	YQBXUKBMAQXTOC-UHFFFAOYSA-N	340.386	5.017	10	1	EKCF	
O=[N+]([O-])c1ccc([CH-]/N=N/c2c(Cl)cc(Cl)cc2Cl)cc1	169690373	ACTYZTKIFOKZGD-ISLYRVAYSA-N	343.577	5.849	10	1	EKCF	
Cc1ccc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)c(O)c1	102972036	MEPPLKZHRALHMC-NRFANRHFSA-N	348.446	5.572	10	1	EKCF	
C[C@@H](/N=N/c1nc(-c2ccc(F)cc2F)cs1)c1cccs1	169728164	RMXJWDJOYHYBPM-XXLZAIRNSA-N	335.404	5.995	10	1	EKCF	
COc1ccc(/N=N\c2cc(C)c(O)c(CN3CCCCC3)c2)cc1	102595099	ZKVYNTLHODDHIF-DQRAZIAOSA-N	339.439	5.111	10	1	EKCF	
O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(F)(F)C(F)(F)F	2356870484	XRXAJOXCBYUSEZ-UHFFFAOYSA-N	343.255	5.238	10	1	EKCF	
CC(C)(C)c1ccccc1Nc1c2ccccc2nc2ccccc12	5314334	AONJQUAWYALAIL-UHFFFAOYSA-N	326.443	6.429	10	1	EKCF	
Cc1cc(Cl)cc2c(/N=N/c3ccc([N+](=O)[O-])cc3)c(O)[nH]c12	103966411	RDDICJXXHXFVSH-VHEBQXMUSA-N	330.731	5.159	10	1	EKCF	
c1ccc2c(c1)CN(CCCN1c3ccccc3Oc3ccccc31)C2	299829568	VXYNTNGLIAGLDP-UHFFFAOYSA-N	342.442	5.336	10	1	EKCF	
Cc1cc(CNCc2ccccc2)c(C)n1-c1ccc(C(C)C)cc1	1911578104	QSXVHCBLSIWAKS-UHFFFAOYSA-N	332.491	5.507	10	1	EKCF	
Cc1c(-c2cc(C(C)C)c(O)c(O)c2C)cc(C(C)C)c(O)c1O	14727219	BUKCOURGDZTOBF-UHFFFAOYSA-N	330.424	5.040	10	1	EKCF	endogenous,in-man
Cc1cc(/N=N/[C-](C)c2cccc([N+](=O)[O-])c2)nc(-c2ccccc2)n1	169693270	YRQCKCQYJJAWKU-GHVJWSGMSA-N	346.370	5.044	10	1	EKCF	
CC[C@H](/N=N/c1ccnc2cc(Cl)ccc12)c1ccc(O)cc1	169689202	JXWGLWHJGHVGHK-YWBAYFEHSA-N	325.799	5.829	10	1	EKCF	
COc1ccc(C/N=N/c2nc(-c3ccc(F)cc3)cs2)cc1	169725931	FZMVRJZSBNJRIQ-XUTLUUPISA-N	327.384	5.242	10	1	EKCF	
COc1ccc2ccc(O)c([C@@H](c3ccccc3)N3CCCCC3)c2c1	653708506	SOTQFCYXOKVIGR-HSZRJFAPSA-N	347.458	5.129	10	1	EKCF	
Oc1cc2ccccc2cc1CN1COc2ccc3ccccc3c2C1	58176933	KQTSRWIYARBKAF-UHFFFAOYSA-N	341.410	5.051	10	1	EKCF	
COc1ccc2ccc(O)c([C@H](c3ccccc3)N3CCCCC3)c2c1	653708507	SOTQFCYXOKVIGR-QHCPKHFHSA-N	347.458	5.129	10	1	EKCF	
CN(Cc1c(O)ccc2oc(Cc3ccccc3)cc12)C1CCCCC1	103262360	QBWZRVROUPAVJU-UHFFFAOYSA-N	349.474	5.494	10	1	EKCF	
S=C1CCCC2=C1[C@@H](c1ccccc1)c1c(ccc3ccccc13)O2	103272311	CDRMYZOWHDRAGA-NRFANRHFSA-N	342.463	6.172	10	1	EKCF	
FC(F)(F)c1cc(/N=N/C2=C3CCCN3CCC2)ccc1Cl	102155081	UXGVEROISSGXOR-QZQOTICOSA-N	329.753	5.544	10	1	EKCF