smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cn1c2c(c3ccccc31)/C(=N/OC(=O)c1cccc3ccccc13)CCC2	1036904	VZLFOJWWHROHLW-LKUDQCMESA-N	368.436	5.229	30	30	FKEC	
COc1nc2c(c(-c3ccc4ccccc4c3)c1C#N)CCc1ccccc1-2	4307172	RNEQXDNFRVQJLT-UHFFFAOYSA-N	362.432	5.548	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)NC(C)(C)CO	196444711	GTDHYNXLIKNVTJ-UHFFFAOYSA-N	355.607	6.135	30	30	FKEC	
COc1ccc(/N=N/C(=N\Nc2ccc(OC)cc2)c2ccccc2)cc1	100409589	KWOJBOWVCIBJSE-WQQFVFIJSA-N	360.417	5.261	30	30	FKEC	
C=C1CC[C@H]2/C(C)=C\C[C@H]3[C@@H](C(C)C)[C@H](O)C[C@]3(C)[C@H](O)/C=C(/C)CC[C@@H]12	2265385192	OHABHHQPUHXDEY-SFPIOVADSA-N	372.593	5.666	30	30	FKEC	
COc1cc(CC/C(C)=N\O)ccc1OCc1ccc(Cl)cc1Cl	1038972	USTXKTNMOIJROV-MTJSOVHGSA-N	368.260	5.364	30	30	FKEC	
CCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)c(Cl)c1	59585232	RZTDURBNLDNTQU-UHFFFAOYSA-N	373.432	7.491	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCOC(C)=O	100113087	JSUVMLHNHUCJTE-UHFFFAOYSA-N	370.574	6.354	30	30	FKEC	
CCCCCCCCCOC(=O)/C=C\C(=O)OCCCCCCCCC	100141152	PQJYOOFQDXGDDS-ZCXUNETKSA-N	368.558	6.130	30	30	FKEC	
CCCCCCCCCCCCCCCCN(C[C@H](C)O)C[C@H](C)O	100121973	MNDXNPPBHMRCOA-VXKWHMMOSA-N	357.623	5.531	30	30	FKEC	
O=C(C=Cc1cccs1)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	2265279688	UJQNUUGJQCTGFT-UHFFFAOYSA-N	368.841	5.517	30	30	FKEC	
CCCCCCCCCCCC[C@@H](c1ccccc1)[N+](CC)(CC)CC	60138815	INEUTTFARBFMGL-VWLOTQADSA-N	360.650	7.915	30	30	FKEC	
N#Cc1ccc2c(c1)C1=C(CCN(CC3CCCC3)CC1)c1ccccc1O2	538332	MUAHMQUPOQGKOQ-UHFFFAOYSA-N	370.496	5.861	30	30	FKEC	investigational
Cc1c(/C=N/NC(=S)Nc2ccc(Cl)cc2)sc2ccccc12	2151502	BJLJEVXPVSSWTG-VXLYETTFSA-N	359.907	5.184	30	30	FKEC	
CC(C)(C)c1csc(-c2ccc(/C=N/Nc3ccc(F)cc3F)cc2)n1	4350861	BZBKPYMDBIIKTN-FOKLQQMPSA-N	371.456	5.832	30	30	FKEC	
Cc1c(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)sc2ccccc12	4365879	SOXUAQWFQRMZBC-DNTJNYDQSA-N	369.704	6.616	30	30	FKEC	
CCCCCCCCCOC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	103822987	ZOFCXNALVXQDEJ-AWEZNQCLSA-N	361.309	6.055	30	30	FKEC	
N#Cc1ccc(Cc2c(-c3ccccc3)sc3ccccc3c2=O)cc1	4344313	FAJAPEKQWGLSRY-UHFFFAOYSA-N	353.446	5.391	30	30	FKEC	
CN(C)/C=N/c1cc(Cl)c(-n2cccc2)cc1Oc1ccc(Cl)cc1	4300539	DBXXRKFQSJPNHJ-LPYMAVHISA-N	374.271	5.798	30	30	FKEC	
CCCCCCCCN1C(=O)O[C@@H](c2ccc(SC(C)C)cc2)[C@H]1C	111888509	UMRYNDVEINOMAE-YLJYHZDGSA-N	363.567	6.429	30	30	FKEC	
N#Cc1ccc(C=Cc2nc3ccccc3n2Cc2ccccc2Cl)cc1	2265278915	XAZPQCJIUMSVBP-UHFFFAOYSA-N	369.855	5.780	30	30	FKEC	
C=CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1Cc1ccco1	3119859	RITPHJCGNZPZLO-UHFFFAOYSA-N	353.491	5.162	30	30	FKEC	
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(C#N)c1	1036282	ZPHNTYWLGJBZAD-UHFFFAOYSA-N	372.211	5.081	30	30	FKEC	
CCCCCCCCCCCCc1ccc(S(=O)(=O)O)c(C)c1C	111491077	JFKOFADWYMNTLP-UHFFFAOYSA-N	354.556	6.014	30	30	FKEC	
CC(=NOC(=O)Nc1ccc(C)cc1)c1sc(-c2ccccc2)nc1C	254865485	DJGRFGIXZUDKNK-UHFFFAOYSA-N	365.458	5.400	30	30	FKEC	
O=C(Nc1ccc(Cl)cc1)O/N=C\c1ccc(C#Cc2ccccc2)cc1	4697204	OHRBSOHPRNKVOL-JLPGSUDCSA-N	374.827	5.322	30	30	FKEC	
O=C1C=Cc2ccccc2C1=NNc1ccc(N=Nc2ccccc2)cc1	2265369574	HTPQPMPFXUWUOT-UHFFFAOYSA-N	352.397	5.514	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCCCCCCOC(C)=O	100077020	DFNNQVPOKYHPKD-KHPPLWFESA-N	366.630	8.147	30	30	FKEC	
CCn1c2ccccc2c2cc(C=NN3c4ccccc4C[C@@H]3C)ccc21	256460031	TWPXERWDHZWUPC-KRWDZBQOSA-N	353.469	5.600	30	30	FKEC	
CCCSc1sc(C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N	3045709	JNPNCWSFSCZQNG-UHFFFAOYSA-N	351.880	5.229	30	30	FKEC	
CCCCCCCCCCC(=O)O[C@@H](C)[C@@H](C)OC(=O)CCCCC	95863725	LHOYOTGDPNOGNR-MOPGFXCFSA-N	356.547	5.961	30	30	FKEC	
C=CC(=O)OC[C@H](C)CCCCCCCCCCCCCCCCC	111900190	FCAXOVLLASPKFQ-JOCHJYFZSA-N	352.603	7.613	30	30	FKEC	
Cc1ccc(Cl)cc1NC(=S)N/N=C/c1cccc2ccccc12	13659105	GPHKEFTVUJXMFE-CIAFOILYSA-N	353.878	5.122	30	30	FKEC	
CC[N+](CC)=C1C=CC(=C(c2ccccc2)c2ccc(N(C)C)cc2)C=C1	59301830	XNOHSESXBGVKLP-UHFFFAOYSA-N	357.521	5.174	30	30	FKEC	
CSc1scc2c1/C(=N/OC(=O)Nc1ccccc1)CC(C)(C)C2	1038102	ROVBAFPPLOTKHE-XSFVSMFZSA-N	360.504	5.395	30	30	FKEC	
CCCCCCCCCCCCCCCCC[C@H](C)[C@H](O)[C@H](C)[C@H](C)O	256476827	VMGOEPRCMLMVKT-KIHHCIJBSA-N	370.662	7.262	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CO	102186359	PTSXVUICYWATQI-XMMPIXPASA-N	370.662	7.552	30	30	FKEC	biogenic,in-vitro
Oc1c(Cl)cc(Cl)cc1/C=N/CCSc1ccc(Cl)cc1	17129966	BBIZZSXEJWAVIC-DJKKODMXSA-N	360.693	5.564	30	30	FKEC	
O=C(O/N=C1\CCCc2[nH]c3ccccc3c21)c1cccc(C(F)(F)F)c1	13465775	RTHWJFTVFIIBQW-KOEQRZSOSA-N	372.346	5.084	30	30	FKEC	
C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)OC(C)=O	253497682	FBVIOYXUKJUFCN-FBBMUPNTSA-N	356.506	5.006	30	30	FKEC	
CCCCCCCCCCCCP(C1CCCCC1)C1CCCCC1	111896742	FBJIDSKLLCXYAV-UHFFFAOYSA-N	366.614	9.055	30	30	FKEC	
CSc1nccc(-c2sc(SC)c(C#N)c2-c2ccccc2)n1	1038631	JTVSXHPMYXGZOJ-UHFFFAOYSA-N	355.513	5.188	30	30	FKEC	
CCCCCCCC[C@H](CCCCCC)COC(=O)CCCCCCC	111899852	NNHMAUVBQAHWPH-QHCPKHFHSA-N	368.646	8.227	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)[O-]	111868174	GORUZQZCUPHPAX-UHFFFAOYSA-N	369.678	8.383	30	30	FKEC	
CCCCCCC[C@@H](N)CCCCCCCC[C@H](N)CCCCCCC	100295790	YQIBIVKPZIOLTN-DNQXCXABSA-N	368.694	7.483	30	30	FKEC	
CSc1nc(C=Cc2ccccc2)cc(C=Cc2ccccc2)c1C#N	2265269933	SBTHFYOVABKGNN-UHFFFAOYSA-N	354.478	6.016	30	30	FKEC	
COc1cc2c(cc1OC)C(=O)C(=Cc1cccc(Oc3ccccc3)c1)C2	2265279839	SFALPUXWEDISBQ-UHFFFAOYSA-N	372.420	5.319	30	30	FKEC	
CCCCCCCCCCCCCCCCCOC(=O)OC[C@H](C)O	504610200	BPTPGVPKBOUNBG-FQEVSTJZSA-N	358.563	6.392	30	30	FKEC	
N#CCCSc1ccccc1NC(=O)[C@H](c1ccccc1)C1CCCC1	2160862	SRIXYTDQCFKDLL-OAQYLSRUSA-N	364.514	5.605	30	30	FKEC	
C[C@H]1Sc2ccc(Cl)cc2C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	100154291	WVUYIGTVFMVPTG-WWNSAXIVSA-N	368.807	6.119	30	30	FKEC	
O=C(O/N=C/c1ccc(Cl)cc1Cl)c1cc(Cl)sc1Cl	35606105	NTDREQDKCXWAEE-YAXRCOADSA-N	369.056	5.553	30	30	FKEC	
N#Cc1c(Oc2ccc(F)cc2)ccc([N+](=O)[O-])c1Oc1ccc(F)cc1	1048830	NCZUSBKIWNFONK-UHFFFAOYSA-N	368.295	5.329	30	30	FKEC	
COc1ccc2cc(/C(C)=N/OC(=O)c3ccc(Cl)cc3)ccc2c1	12369118	ODAKFZKBYJZRBC-LPYMAVHISA-N	353.805	5.083	30	30	FKEC	
CCCCSc1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N	3126587	MCLHOQSPFWURPK-UHFFFAOYSA-N	351.880	5.531	30	30	FKEC	
CC/C(=N\OC(=O)c1cccs1)c1ccc(-c2ccccc2F)cc1	13469135	OSGJLMJNERULRA-RELWKKBWSA-N	353.418	5.525	30	30	FKEC	
FC(F)(F)C(F)(C(F)(F)F)[C@](F)(Cl)[C@](F)(Cl)C(F)(F)F	111898658	DAKPRHAAVFWCOZ-PWNYCUMCSA-N	370.948	5.191	30	30	FKEC	
CCCCCCCCCCCCCCCCOCCOCCOCCO	80490995	FSVRFCBLVIJHQY-UHFFFAOYSA-N	374.606	5.510	30	30	FKEC	
CCCCCCCC(=O)Oc1ccc(C=CC(=O)c2ccccc2)cc1	2265279534	JGYOERFSWKBFJH-UHFFFAOYSA-N	350.458	5.849	30	30	FKEC	
O=C1/C(=C2\Sc3cc(Cl)ccc3C2=O)Sc2cc(Cl)ccc21	33487807	KOAKDLSQLKOGDY-FOCLMDBBSA-N	365.262	5.482	30	30	FKEC	
CCCCCCCCc1ccc(CCCCCCCC)c(C#N)c1C#N	137149484	CBCCKPOQISXJJT-UHFFFAOYSA-N	352.566	7.236	30	30	FKEC	
Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C(F)(F)F)c(C#N)c1	1047161	MBLWWEBASVPJJH-UHFFFAOYSA-N	350.340	5.028	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCNCCO	111418463	QZEJJPSZCXBLAI-UHFFFAOYSA-N	371.606	5.373	30	30	FKEC	
CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1	5768401	HGXGILYYMJORSA-GBOSRWDWSA-N	370.533	5.396	30	30	FKEC	
CCCCCCCC[C@H]1O[C@H]1CCCCCCCC(=O)OCC(C)C	103822518	RLZMLCOLHSMIMU-RTWAWAEBSA-N	354.575	6.434	30	30	FKEC	
C(=N/c1ccc(Cc2ccc(/N=C/c3ccco3)cc2)cc1)\c1ccco1	6093484	MAKABEVBNIJHPX-MUPYBJATSA-N	354.409	5.965	30	30	FKEC	
COc1nc2c(c(-c3ccc(Cl)cc3Cl)c1C#N)Cc1ccccc1-2	2180915	FDMOQOBVTNEURN-UHFFFAOYSA-N	367.235	5.507	30	30	FKEC	
O/N=C(\Nc1ccc(OC(F)(F)F)cc1)c1c(Cl)cccc1Cl	4366058	PFAUQBCVXBSDBT-UHFFFAOYSA-N	365.138	5.140	30	30	FKEC	
CC(C)S/C(=N/c1cccnc1)SCc1ccc(C(C)(C)C)cc1	5421343	WRJWIQFJAUWDCV-ZBJSNUHESA-N	358.576	6.442	30	30	FKEC	
Cc1c(C)c(C)c(C[C@@H]2CC/C(=C\C=C\c3ccccc3)C2=O)c(C)c1C	4322260	SYTXWKSBZLWXBL-PUVDWMMUSA-N	358.525	6.390	30	30	FKEC	
O=C(O/N=C1\CCCc2[nH]c3ccccc3c21)c1ccc(Cl)cc1Cl	13464263	NRAPRQYJWJMENJ-HAVVHWLPSA-N	373.239	5.372	30	30	FKEC	
CCCCCCCCCCC(CCCCCCCCCC)c1ccncc1	201162517	UJYAOWJBKCHVPU-UHFFFAOYSA-N	373.669	9.227	30	30	FKEC	
CCCCCCCCCCCCCCCCC[C@H]1N=CCN1CCO	59338028	HZPWFZGYVSBDNJ-QFIPXVFZSA-N	352.607	5.953	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)O[C@H]1CCCC[C@H]1C	111906858	HEJYYMALYZHULQ-YADHBBJMSA-N	352.603	7.590	30	30	FKEC	
O=C1C=C(SCC(=O)c2ccccc2)S[C@@H](c2ccc(Cl)cc2)C1	1038340	HRCGRIXGOJSKBC-GOSISDBHSA-N	374.914	5.545	30	30	FKEC	
CCCCCCCCCCC[C@@H]1CC(O)=C(CCCCCC)C(=O)O1	100049195	BLXCWAINNUGTQE-LJQANCHMSA-N	352.559	7.005	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](C)C(=O)O	59588543	QFOLLQAEFFNUKU-OEIFXAAASA-N	354.531	6.040	30	30	FKEC	
CCCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1	111872647	MUQMLVOIALCMNZ-FQEVSTJZSA-N	367.574	5.680	30	30	FKEC	
CC(=NOC(=O)Nc1ccccc1)c1sc(-c2ccccc2)nc1C	254499681	CXIAZXFOOFNIDC-UHFFFAOYSA-N	351.431	5.091	30	30	FKEC	
CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H]1CCCC[C@@H]1O	56898789	YPQVDFLBDPTGLB-RPWUZVMVSA-N	368.670	6.848	30	30	FKEC	in-man
ClC1=C(/C=N/c2ccc(Cl)cc2)CSc2ccc(Cl)cc21	2154292	MAZHQLQUACVMDP-DNTJNYDQSA-N	354.689	6.452	30	30	FKEC	
CCCCCCCCCCCCCC(=O)OCCCCCCCCCC	111487354	BOUIEBMBWBCUPB-UHFFFAOYSA-N	368.646	8.371	30	30	FKEC	
COc1ccc([C@@H]2C[C@@H]2C(C)=NOCc2c(Cl)cccc2Cl)cc1	725274075	JIMACHJGDFRGCV-CVEARBPZSA-N	364.272	5.698	30	30	FKEC	
Clc1ccc(Sc2nc3sccn3c2/C=N/c2ccccc2)cc1	1035788	GUNKHFVQAMUSMI-UDWIEESQSA-N	369.902	5.951	30	30	FKEC	
CSc1nc(CSc2ccc(C)cc2)nc(-c2ccccc2)c1C#N	3046170	VHRMFIIHGUIUCF-UHFFFAOYSA-N	363.511	5.338	30	30	FKEC	
CCCOc1ccc(C#Cc2ccc([C@H]3CC[C@H](CCC)CC3)cc2)cc1	263589460	KPRYWLQZHXTLHW-SAIGFBBZSA-N	360.541	6.949	30	30	FKEC	
CCCCCCCCCc1nc(Br)sc1Br	100169436	QHYXAYKIZLXYKI-UHFFFAOYSA-N	369.166	5.961	30	30	FKEC	
C[C@H]1C/C(=N\Nc2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc2S1	13468891	WXFLXWNKQXKAPH-LYAFNNHQSA-N	371.720	6.347	30	30	FKEC	
CCCCCCCCCCCCCCCCCCOc1ccc(O)cc1	100769384	ZKWFHUYRPNGFQC-UHFFFAOYSA-N	362.598	8.033	30	30	FKEC	
Clc1ccc(CON=C(c2ccccn2)[C@H]2C[C@@H]2c2ccccc2)cc1	2265278957	KXSCUFLGDPVJOC-UXHICEINSA-N	362.860	5.460	30	30	FKEC	
CCCCCCCCCCC(=O)O[C@@H](C)[C@H](C)OC(=O)CCCCC	95863727	LHOYOTGDPNOGNR-OALUTQOASA-N	356.547	5.961	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)N1CCOCC1	58582545	RZLQCNYCMRDLBA-KTKRTIGZSA-N	351.575	5.883	30	30	FKEC	
CCCCCCCCOC(CCCCCCC)OCCCCCCCC	100295909	MOYIXNPVAUEVMW-UHFFFAOYSA-N	370.662	8.427	30	30	FKEC	
CCCCCCCCCOC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	103822984	ZOFCXNALVXQDEJ-CQSZACIVSA-N	361.309	6.055	30	30	FKEC	
O=C1N(c2cccc(Cl)c2)/C(=N/c2cccc(Cl)c2)SC12CC2	95629525	NAVYMVFRKAFPDV-SILNSSARSA-N	363.269	5.294	30	30	FKEC	
CC[C@@H](C)Sc1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N	3045716	IZXSEAJSPXOFLR-SECBINFHSA-N	351.880	5.529	30	30	FKEC	
CCN(CC)c1ccc(/N=N/c2ccc(C(=O)C[N+](C)(C)C)cc2)c(C)c1	111404667	LHSQAXPRSLOCBS-WCWDXBQESA-N	367.517	5.146	30	30	FKEC	
Cc1ccc(/C=N\Nc2nc3ccccc3nc2/C=C/c2cccs2)cc1	33384430	NUYBRIVEZRRYMT-UNMKBGRBSA-N	370.481	5.616	30	30	FKEC	
Cc1ccc(CSC2=Nc3ccccc3C2=NNc2ccccc2)cc1	254379491	BEIYXMPVMVBJRQ-UHFFFAOYSA-N	357.482	5.788	30	30	FKEC	
CCCCCCCCC(CCCCCCCC)OC(=O)[C@@H]1CCC(=O)N1	111871612	JSEKZIVVPNHCBT-FQEVSTJZSA-N	367.574	5.678	30	30	FKEC	
Cc1c(/N=C/c2ccccc2O)cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C	1033139	ARYIUCZWEOVEEZ-SSDVNMTOSA-N	352.434	5.318	30	30	FKEC	
CCCCCCCCCCCCCCCC[N+](C)(C)[C@H]1CCCC[C@@H]1O	56898790	YPQVDFLBDPTGLB-ZEQRLZLVSA-N	368.670	6.848	30	30	FKEC	in-man
C/C(=N\Nc1nc(C(C)(C)C)cs1)c1ccc(Br)cc1	4300214	AMGUNNBDSYZECW-VCHYOVAHSA-N	352.301	5.039	30	30	FKEC	
C/C(C(=O)c1ccccc1)=C(\CC(=O)c1ccc(C)cc1)c1ccccc1	4300948	FBELDOGVBRZPBA-NMWGTECJSA-N	354.449	5.924	30	30	FKEC	
Cn1c2c(c3ccccc31)/C(=N/OC(=O)c1ccc(C(C)(C)C)cc1)CCC2	4343345	GNYXYYDYCPWRRZ-NCELDCMTSA-N	374.484	5.373	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)NCCN(C)C	111906645	XNJXGLWSAVUJRR-UHFFFAOYSA-N	354.623	5.926	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)OCc1ccccc1	111411312	CGFITOCWTCRCSL-KTKRTIGZSA-N	372.593	7.767	30	30	FKEC	
FC(F)(F)c1cccc(/N=C/c2c(-c3ccccc3)nc3n2CCS3)c1	1039655	XOZNKBGJEPKPNU-FSJBWODESA-N	373.403	5.425	30	30	FKEC	
Cc1ccc2c(c1)N[C@H](C=Cc1ccccc1)C1=C(CC(C)(C)CC1=O)N2	2265272024	HFRXROBHKRETCU-LJQANCHMSA-N	358.485	5.558	30	30	FKEC	
CC[C@H](C)Sc1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N	3045719	IZXSEAJSPXOFLR-VIFPVBQESA-N	351.880	5.529	30	30	FKEC	
CCCCCCCCCCCCSC(=S)Nc1ccc(OC)cc1	95723018	ONNYMZNAMNKGOH-UHFFFAOYSA-N	367.624	7.046	30	30	FKEC	
C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@@H](OC(=O)OCC)[C@@]3(C)CC[C@@H]12	118912696	NZFZLRHKJCFBJO-YSLAQXADSA-N	372.505	5.226	30	30	FKEC	
Oc1c(Cl)cc(Cl)cc1/C=N/CCSCc1ccccc1Cl	4390635	IYMBRKQRRYIRHD-AWQFTUOYSA-N	374.720	5.705	30	30	FKEC	
CCCCCCCCCCCCCCCCN(C[C@H](C)O)C[C@@H](C)O	100121968	MNDXNPPBHMRCOA-SZPZYZBQSA-N	357.623	5.531	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCNCCN	111898250	PRDGXECTJBANIO-UHFFFAOYSA-N	370.622	5.339	30	30	FKEC	
CCN(CCC#N)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)c(C)c1	5139529	ZFWWVXCMCNTJFZ-UHFFFAOYSA-N	372.536	5.454	30	30	FKEC	
CSc1nc(C)nc(-c2cccc(CSc3ccccc3)c2)c1C#N	1038694	NWLWEDDAQMMKLS-UHFFFAOYSA-N	363.511	5.338	30	30	FKEC	
Cc1c(Cl)cccc1NC(=S)N/N=C\c1cccc2ccccc12	4698096	CNKCAWYKYZHRJO-MTJSOVHGSA-N	353.878	5.122	30	30	FKEC	
CCCCCCCCCCCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccccc1	111892804	DTUMBPIYQSQFQV-IRLDBZIGSA-N	373.537	5.582	30	30	FKEC	
CON=Cc1ccc(Sc2c(Cl)cccc2Cl)c([N+](=O)[O-])c1	254379455	ZWXNWUNCUOFGNH-UHFFFAOYSA-N	357.218	5.033	30	30	FKEC	
CC(C)(C)SCCN/C(=N/c1cccc(F)c1)c1cccc(Cl)c1	12339250	LKZHROHUZNDHLV-UHFFFAOYSA-N	364.917	5.679	30	30	FKEC	
C/C(=N\OC(=O)c1c(-c2ccccc2Cl)noc1C)c1ccc(F)cc1	1048089	RLWSWKHMDQTKOW-SSDVNMTOSA-N	372.783	5.024	30	30	FKEC	
C=CC(=O)OCC[N+](CC)(CC)CCCCCCCCCCCCCC	111903110	KXYRHNUEUYSIES-UHFFFAOYSA-N	368.626	6.273	30	30	FKEC	
CCCCCCCCCCCC[N+](C)(C)C(Cl)(Cl)c1ccccc1	115287638	KNRAYCRALVBQHP-UHFFFAOYSA-N	373.432	7.272	30	30	FKEC	
C[C@@H]1C/C(=N\Nc2cc(Cl)cc(Cl)c2)c2cc(Cl)ccc2S1	13468889	WXFLXWNKQXKAPH-ZMFXLXOGSA-N	371.720	6.347	30	30	FKEC	
N#Cc1cccc(Cn2c(C=Cc3ccccc3Cl)nc3ccccc32)c1	2265278886	PSQSELMMZVGHHG-UHFFFAOYSA-N	369.855	5.780	30	30	FKEC	
Clc1ccc(CON=C(c2ccccn2)[C@H]2C[C@H]2c2ccccc2)cc1	2265278956	KXSCUFLGDPVJOC-PMACEKPBSA-N	362.860	5.460	30	30	FKEC	
C/C(=N\Nc1cc(Cl)ccc1Cl)c1csc(-c2ccccc2)n1	13469563	RWIOFNXCQGMYME-SRZZPIQSSA-N	362.285	5.953	30	30	FKEC	
CCCCCCCCC(=O)O[C@H](C)[C@@H](C)OC(=O)/C=C/c1ccccc1	95741195	ZSKXDYWGVRISOZ-JKGAWAGISA-N	360.494	5.314	30	30	FKEC	
CC(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@H]2c2ccccc2)cc1	3138153	VHFWDYUIRZTXOX-YHHBSCGTSA-N	354.449	6.210	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC[N+](C)(CCO)CCO	100069893	SIIMROTZKDKRFD-KHPPLWFESA-N	370.642	5.455	30	30	FKEC	
C=CC(=O)NCCCCCCCCCCCCCCCCCCCC	103844354	CJKAINXGZTZFDV-UHFFFAOYSA-N	351.619	7.330	30	30	FKEC	
CC(=NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)ccc1O	254882955	CYVDGZYJHHYIIU-UHFFFAOYSA-N	364.059	5.842	30	30	FKEC	
CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)/C(F)=C(\F)C(F)(F)F	299754778	PVRTXLRFALXMBV-ONEGZZNKSA-N	360.113	5.651	30	30	FKEC	
CCCCCCCCCCC(=O)O[C@H](C)[C@H](C)OC(=O)CCCCC	95863728	LHOYOTGDPNOGNR-RBUKOAKNSA-N	356.547	5.961	30	30	FKEC	
O=C(C=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)cc1	2265279609	FOPDSAMNMFFILI-UHFFFAOYSA-N	368.841	5.517	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)N(C[C@H](C)O)C[C@H](C)O	100065819	IFQXKLVYFJPBNF-SFTDATJTSA-N	371.606	5.058	30	30	FKEC	
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)OC[C@@H]1CO1	217470718	ACYNJBAUKQMZDF-AAORCBLUSA-N	360.538	6.074	30	30	FKEC	
CCCCCCCCCCCCCCCCC[C@H](C)[C@H](O)[C@H](C)[C@@H](C)O	256476823	VMGOEPRCMLMVKT-KEZOAJOQSA-N	370.662	7.262	30	30	FKEC	
CCCCCCCCOc1ccc(C(=O)Oc2ccc(C#N)cc2)cc1	2023000	MRJRPUGIYJNPIH-UHFFFAOYSA-N	351.446	5.517	30	30	FKEC	biogenic
CCCCCCCC/C=C\CCCCCCCCCCCCC(=O)O	96023476	BRCMIDDAOIVEAZ-KTKRTIGZSA-N	352.603	8.059	30	30	FKEC	
CCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCC	111478943	WFXHUBZUIFLWCV-UHFFFAOYSA-N	356.547	5.820	30	30	FKEC	
C(=N\Nc1nc2ccccc2nc1/C=C/c1cccs1)\c1ccccc1	33384422	HFPIHVMHLFZGNG-NQMXVTNKSA-N	356.454	5.308	30	30	FKEC	
CC(=NOCc1ccc(C)cc1)c1cccc(N2Cc3ccccc3C2)c1	254738083	GAGHQIWHICVWEM-UHFFFAOYSA-N	356.469	5.456	30	30	FKEC	
O=C1C(=Nc2cc(Cl)cc(Cl)c2)c2ccccc2N1c1ccccc1	254399077	GUOCQDADKJJVBQ-UHFFFAOYSA-N	367.235	5.793	30	30	FKEC	
Cc1ccc(CON=CCc2c(C#N)sc(C#N)c2-c2ccccc2)cc1	255980774	JGTNDQBOOKBRPM-UHFFFAOYSA-N	371.465	5.212	30	30	FKEC	
CC(C)c1ccc(/C=C2\CCC/C(=C\c3ccc(C(C)C)cc3)C2=O)cc1	4693089	XAAVRXOEBRBFSB-MUPYBJATSA-N	358.525	7.153	30	30	FKEC	
CCCCCCCCCCCCCCCCCC[C@@H](CC(=O)O)C(=O)O	111413972	ZPJDFKVKOFGAFV-FQEVSTJZSA-N	370.574	6.814	30	30	FKEC	
CCCCCCCCc1ccc2c(c1)Cc1cc(Br)ccc1-2	2159216	SCBMLMNRPDAENK-UHFFFAOYSA-N	357.335	6.923	30	30	FKEC	
O=C1/C(=C/c2ccc(-c3cccs3)s2)COc2c(F)cc(F)cc21	1043892	NFHYQATYUYAOJY-UXBLZVDNSA-N	360.406	5.414	30	30	FKEC	
CCCCCCCCCCCCN1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccccc1	111892801	DTUMBPIYQSQFQV-IFMALSPDSA-N	373.537	5.582	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC[N+](C)(C)CC(=O)O	111403534	AMRBZKOCOOPYNY-QXMHVHEDSA-O	354.599	6.185	30	30	FKEC	
CCCCCCCCCCCCCCOc1nc(Cl)nc(Cl)n1	100371707	ADPXJENOKRHJCX-UHFFFAOYSA-N	362.345	6.258	30	30	FKEC	
C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3[C@H]1C=CC2=O	106697649	UJOCQXHOSBJACO-QENXHYHDSA-N	358.481	5.467	30	30	FKEC	
CC(C)(C)c1ccc(C(=O)Oc2ccc(N=Cc3cccs3)cc2)cc1	254287933	OSZBWEIGRZSHRL-UHFFFAOYSA-N	363.482	6.015	30	30	FKEC	
CCCCCCCCOC(=O)CCCC(=O)OCCCCCCCC	100313383	RXJJVYBGRFLCOX-UHFFFAOYSA-N	356.547	5.964	30	30	FKEC	
CCCCCCCCCCCCCCCCN(C[C@@H](C)O)C[C@@H](C)O	100121963	MNDXNPPBHMRCOA-FGZHOGPDSA-N	357.623	5.531	30	30	FKEC	
CCCCCCCCCCC[C@H](CCCCCCCC)OC(=O)[C@H](C)O	113514841	CRCDNUSPXLONIC-VXKWHMMOSA-N	370.618	6.951	30	30	FKEC	
CC/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccccc2F)cc1	13469139	ASOURAPKSIXLSP-DARPEHSRSA-N	363.392	5.627	30	30	FKEC	
CCCCCCCCCCO[PH](=O)OCCCCCCCCCC	150347856	OGFPOHXPNWDPSW-UHFFFAOYSA-N	362.535	7.691	30	30	FKEC	
Cc1ccc(Oc2ccc(C=NOC(=O)c3ccc(Cl)cc3)cn2)cc1	2265279115	DUMQVNGBCBOBDK-UHFFFAOYSA-N	366.804	5.027	30	30	FKEC	
c1ccc(N/N=C(\N=N\c2nc3ccccc3s2)c2ccccc2)cc1	33387419	OPOMTHCDFJEKJO-WSESLVOBSA-N	357.442	5.854	30	30	FKEC	
N#Cc1cc(-c2ccccc2)oc1N=Cc1ccc(Br)s1	254493196	QOMDXWCOZAMXCY-UHFFFAOYSA-N	357.232	5.393	30	30	FKEC	
CCN(CC)c1ccc(C2=[N+](CCC#N)c3cccc4cccc2c34)cc1	5139458	SRXOBNWSHZEBCY-UHFFFAOYSA-N	354.477	5.095	30	30	FKEC	
CCCCCCCCCCCCCCCCCCOCCCN(C)C	59687088	BHQZSXXOSYWJSZ-UHFFFAOYSA-N	355.651	7.216	30	30	FKEC	
COc1cccc(-c2onc3ccc(C(=O)C=Cc4ccc(C)cc4)cc23)c1	2265269987	MMXLWWZPYKFHQF-UHFFFAOYSA-N	369.420	5.708	30	30	FKEC	
C=CCSC1=NC(C=Cc2ccc(Cl)cc2Cl)=CC(C)(C)N1	2265276436	UARMTBHFRVRVNA-UHFFFAOYSA-N	353.318	5.548	30	30	FKEC	
COc1cccc(/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1O	1027799	NRGLWXJVPJBEEI-LIMNOBDPSA-N	363.257	5.189	30	30	FKEC	
Clc1nc(NN=Cc2ccc(Cl)c(Cl)c2)c2ccccc2n1	725274087	TXLJKGMFCDBJAW-UHFFFAOYSA-N	351.624	5.036	30	30	FKEC	
CSc1nc(C)c(/N=N/c2cc(Cl)cc(Cl)c2)c(C)c1C#N	4365758	FPNGUBSRWSSIGQ-QZQOTICOSA-N	351.262	6.014	30	30	FKEC	
CCCCCCCCCCCCCCCCNC(=O)[C@@H](N)CCCCN	43335055	LWEXAPVESMZHFG-NRFANRHFSA-N	369.638	5.040	30	30	FKEC	in-man
CCCCCCCCCCCCCCCCCCNC(=O)/C=C\C(=O)O	110436310	NWODYZCQADERLP-HNENSFHCSA-N	367.574	6.005	30	30	FKEC	
N#Cc1c(-c2ccc(Cl)cc2)csc1S(=O)(=O)C1CCCCC1	1037686	STUOENLGFIPZQA-UHFFFAOYSA-N	365.907	5.047	30	30	FKEC	
CCN(CC#Cc1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1	34347786	ATBHGYHPJAQRDE-UHFFFAOYSA-N	357.969	6.394	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCO	100124180	UKKNMCFZDIOGAW-KTKRTIGZSA-N	354.575	6.340	30	30	FKEC	
CON=Cc1cc([N+](=O)[O-])ccc1Sc1c(Cl)cccc1Cl	254548072	PGCDZVAKTLIVIC-UHFFFAOYSA-N	357.218	5.033	30	30	FKEC	
CCCCCCCc1ccc(Nc2ccc(CCCCCCC)cc2)cc1	111404504	TVDZNGHKRSKPCD-UHFFFAOYSA-N	365.605	8.456	30	30	FKEC	
CCCCCCCCCCCCCCCCC(Cl)(Cl)CC(=O)O	223548714	KRQAZRJJLGQNNX-UHFFFAOYSA-N	367.401	7.506	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)OC[C@@H]1COC(C)(C)O1	100069856	FUNFISHGHMLDHE-HXUWFJFHSA-N	370.574	6.162	30	30	FKEC	
N#CCc1ccc(OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1	1023780	IKXQKNDJGLFQFK-UHFFFAOYSA-N	359.269	5.369	30	30	FKEC	
FC(F)(F)C(F)(C(F)(F)F)[C@](F)(Cl)[C@@](F)(Cl)C(F)(F)F	111898652	DAKPRHAAVFWCOZ-GBXIJSLDSA-N	370.948	5.191	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)O[C@H]1CCCC[C@@H]1C	111906853	HEJYYMALYZHULQ-VXKWHMMOSA-N	352.603	7.590	30	30	FKEC	
CSc1sc(C(=O)NC(C)(C)C)c(-c2ccc(Cl)cc2)c1C#N	1037461	CHMVBXNSKXORER-UHFFFAOYSA-N	364.923	5.190	30	30	FKEC	
CCN(N=Cc1ccc2c(c1)c1ccccc1n2CC)c1ccccc1C	1076498667	ZBZXBQAWGRIJEX-UHFFFAOYSA-N	355.485	5.983	30	30	FKEC	
CS/C(=N\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1	4322874	IWHBZKBSLOXOOX-XKZIYDEJSA-N	370.362	5.561	30	30	FKEC	
FC(F)(F)c1cc(/N=C/c2ccc(Cl)cc2)cc(C(F)(F)F)c1	4324161	FPOPGVJALIJJIO-LIMNOBDPSA-N	351.677	6.128	30	30	FKEC	
CCCCCCCCCCCCc1ccc(-c2cc3ccccc3[nH]2)cc1	100304007	BTFUHFBRQZAJRT-UHFFFAOYSA-N	361.573	8.298	30	30	FKEC	
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(Cc2ccncc2)cc1	1026963	MAHCCABRRSQMEY-FSJBWODESA-N	357.240	5.435	30	30	FKEC	
CC(C)CS/C(=N/c1cccnc1)SCc1ccc(C(C)(C)C)cc1	33755358	WANJBBNHYRAZSO-ATJXCDBQSA-N	372.603	6.689	30	30	FKEC	
Cc1cc2ccccc2c(/N=C/c2cc(Cl)cc(Cl)c2O)c1C#N	1045638	KNTDTLNALDKSKJ-AUEPDCJTSA-N	355.224	5.783	30	30	FKEC	
CCCCCCCCCCCCCCCCCc1nnc(S)n1N	100114668	XBINDEBBUSHZTM-UHFFFAOYSA-N	354.608	5.695	30	30	FKEC	
N#Cc1cc(-c2ccccc2)oc1N=Cc1ccc(Oc2ccccc2)cc1	254290198	HSWHNNKKSISUHH-UHFFFAOYSA-N	364.404	6.361	30	30	FKEC	
CCCCCCCCN1C(=O)O[C@@H](c2ccc(SC(C)C)cc2)[C@@H]1C	111888512	UMRYNDVEINOMAE-FXAWDEMLSA-N	363.567	6.429	30	30	FKEC	
Cn1nc(-c2ccccc2)c(C=NO)c1Sc1ccc(C(C)(C)C)cc1	254592559	WHEVGVRBVJOMEN-UHFFFAOYSA-N	365.502	5.344	30	30	FKEC	
CCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O	100306350	QQBZFCFCMKHPPC-UHFFFAOYSA-N	368.583	6.567	30	30	FKEC	
CCCCCCCCOC(=O)[C@@H](CCCCCC)CCCCCCCC	103823190	BMEOCUNQVBHWRZ-QHCPKHFHSA-N	368.646	8.227	30	30	FKEC	
O=C(CC=NOCc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1	4089993	NQOQKPMAKBHQNV-UHFFFAOYSA-N	372.635	5.145	30	30	FKEC	
CCCCCCC[C@H](N)CCCCCCCC[C@@H](N)CCCCCCC	100295795	YQIBIVKPZIOLTN-ZEQRLZLVSA-N	368.694	7.483	30	30	FKEC	
C=C(CCC(C)(C)/C=C/CC/C(C)=C\CO)C[C@@H]1C(=C)CCCC1(C)C	96329059	QJBKOZDPSKQYRY-VXNUJWDDSA-N	358.610	7.397	30	30	FKEC	
C=C(C(=O)O)[C@@H](CCCCCCCCCCCCCC[C@H](C)O)C(=O)O	14454699	HJXLPGSJISFNMG-PKOBYXMFSA-N	370.530	5.170	30	30	FKEC	biogenic
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(CC)cc1	139136443	VIQYYWHDEKRNMH-UHFFFAOYSA-N	360.650	7.527	30	30	FKEC	
CCCCCCCC[C@@H](O)[C@H](O)CCCCCCCCCCCC(=O)O	85579796	KXWWULNBUIUDOT-NHCUHLMSSA-N	372.590	5.835	30	30	FKEC	
CCCCCCCCCC[C@@H](Br)CCCCCC(=O)OC	140971906	GOIAGTDABXBURQ-QGZVFWFLSA-N	363.380	6.404	30	30	FKEC	
CCCCCCCc1ccc(C(=O)Oc2ccc(CCCCC)cc2)cc1	111892518	ANBMVPQBRCOMBX-UHFFFAOYSA-N	366.545	7.151	30	30	FKEC	
Cc1ccc(/N=C/C=C(/Nc2ccc(C)cc2)c2ccc(Cl)cc2)cc1	5337380	WSLDQHWWWHAYOU-VZCAVXRFSA-N	360.888	6.812	30	30	FKEC	
N#CCCN1CCCc2cc(/N=N/c3ccc(C(F)(F)F)cc3)ccc21	17861846	OYSDTEKMUOEYEN-OCOZRVBESA-N	358.367	5.787	30	30	FKEC	
C#Cc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1	1048907	UPLPXWFBTTUHOQ-UHFFFAOYSA-N	371.223	5.190	30	30	FKEC	
CC(C)(C)c1ccc(C(=O)OCc2ccc(C#Cc3ccccc3)s2)cc1	3127480	YRUAEHXLZDJODS-UHFFFAOYSA-N	374.505	5.802	30	30	FKEC	
O=C(C=Cc1cccs1)c1ccc(OC(=O)c2ccccc2Cl)cc1	2265279565	WOIKAVLJSNGODF-UHFFFAOYSA-N	368.841	5.517	30	30	FKEC	
CCCCCCCCCCCCCCCCCCNCCNCCN	103839558	DBNYMXPUYZOHQN-UHFFFAOYSA-N	355.655	5.386	30	30	FKEC	
Cc1c(C)c(C)c(CO/N=C/c2ccccc2SC(C)(C)C)c(C)c1C	4323000	COXOVDXIJIFWEK-ZMOGYAJESA-N	369.574	6.670	30	30	FKEC	
CCCCCCCCCCCCCCCCCCN1CNC(=S)NC1	95722858	XSSITIGJDQCNPD-UHFFFAOYSA-N	369.663	5.943	30	30	FKEC	
CCCCCCCCCCCCCCc1ccccc1S(=O)(=O)O	100124764	UNYKBGSYYHWZCB-UHFFFAOYSA-N	354.556	6.177	30	30	FKEC	
Cc1ccc(Sc2cc(C)c(C#N)c(Sc3ccc(C)cc3)n2)cc1	3119184	WQEDRFJFSUFACC-UHFFFAOYSA-N	362.523	6.181	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)OCCOCC	111412607	VUPZFTKJJOGXIU-QXMHVHEDSA-N	354.575	6.604	30	30	FKEC	
Clc1ccc(/C=N/Nc2nc3c(Cl)cc(Cl)cc3s2)cc1	4382709	OYZOPIAAPZWPDQ-CNHKJKLMSA-N	356.665	5.703	30	30	FKEC	
C/C(=N\OC(=O)c1cccs1)c1cc(C(C)(C)C)cc2c1CCC2(C)C	4300814	FGFYRCNNFRBSHW-OEAKJJBVSA-N	369.530	5.850	30	30	FKEC	
Cc1ccc([C@@H]2C[C@H]2C(=NOC(=O)c2ccco2)c2ccc(F)cc2)cc1	254527902	KGHGPPSSTBSVRJ-RBUKOAKNSA-N	363.388	5.092	30	30	FKEC	
C(=Nc1ccc(N2CCOCC2)cc1)c1cccc(Oc2ccccc2)c1	254290412	JWIAHKMPYBUUSF-UHFFFAOYSA-N	358.441	5.066	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCCCO	100063048	IKDHIMYPOLRLJB-UHFFFAOYSA-N	356.591	6.564	30	30	FKEC	
Cc1ccc([C@H]2C[C@@H]2C(=NOC(=O)c2ccco2)c2ccc(F)cc2)cc1	254527896	KGHGPPSSTBSVRJ-MOPGFXCFSA-N	363.388	5.092	30	30	FKEC	
CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)O	111899558	GIGYJAKGGCCFLM-UHFFFAOYSA-N	370.574	6.656	30	30	FKEC	
O=C(CC=NOCc1c(Cl)cccc1Cl)Oc1ccc(Cl)cc1	4089992	IOWDNVYSULZDQD-UHFFFAOYSA-N	372.635	5.145	30	30	FKEC	
CCCCCCCCCCCCCCCCCC1=NCCN1CCN	100049366	ZDESIKLNPAKKBA-UHFFFAOYSA-N	351.623	5.921	30	30	FKEC	
CCCON=C(c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1	602987238	TZIHPOQTFXRJFS-ROUUACIJSA-N	358.825	5.183	30	30	FKEC	
CCCCCCCCCCCCCCCCC[C@@H]1N=CCN1CCO	59338026	HZPWFZGYVSBDNJ-JOCHJYFZSA-N	352.607	5.953	30	30	FKEC	
COc1cccc(Cn2c(C=Cc3ccc(C#N)cc3)nc3ccccc32)c1	2265278876	MKCLOIDAFKAZEL-UHFFFAOYSA-N	365.436	5.135	30	30	FKEC	
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(O)cc2)cc1	100093706	YCHRWODBTTZRGA-UHFFFAOYSA-N	370.489	6.131	30	30	FKEC	
CCCCCCCCCC(C)(C)SC(C)(C)CCCCCCCCC	115267766	NQOBRFWZKOMKOG-UHFFFAOYSA-N	370.731	9.558	30	30	FKEC	
O=C1C(=Nc2ccccc2C(F)(F)F)c2ccccc2N1c1ccccc1	254491826	ZVWACQXPCAKLNW-UHFFFAOYSA-N	366.342	5.505	30	30	FKEC	
O=C1C2=C(c3ccccc3)c3cc(Cl)ccc3[C@@H]2Sc2ccccc21	3129463	KSVFJRXKCOCVRD-QFIPXVFZSA-N	360.865	6.185	30	30	FKEC	
CCCCCCCC[C@H](O)[C@H](O)CCCCCCCCCCCC(=O)O	85579793	KXWWULNBUIUDOT-LEWJYISDSA-N	372.590	5.835	30	30	FKEC	
CCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2	95722861	IASAOUZMVRSTFG-UHFFFAOYSA-N	358.507	5.216	30	30	FKEC	
COc1ccc([C@H]2C[C@@H]2C(C)=NOCc2c(Cl)cccc2Cl)cc1	725274077	JIMACHJGDFRGCV-HZPDHXFCSA-N	364.272	5.698	30	30	FKEC	
CCCCCCCCCCCCCCN1CCc2cc(O)c(O)cc2C1	44031719	KQZVJKOJIXKQJK-UHFFFAOYSA-N	361.570	6.157	30	30	FKEC	
O=C(Nc1cccc(Cl)c1)OCC#Cc1ccc(-c2ccccn2)s1	3125880	YXPLCBWVVMFKDA-UHFFFAOYSA-N	368.845	5.064	30	30	FKEC	
CCCCCCCCCCCCCCCCC[C@H](C)[C@H](O)[C@@H](C)[C@@H](C)O	143254832	VMGOEPRCMLMVKT-XQUALCHDSA-N	370.662	7.262	30	30	FKEC	
COc1ccc(C=CC(=O)c2sc(-c3ccccc3)nc2C)cc1OC	2265276385	HHYPJPCORPKTMP-UHFFFAOYSA-N	365.454	5.032	30	30	FKEC	
C=C1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H](OC(=O)OCC)[C@@]3(C)CC[C@@H]12	118912697	NZFZLRHKJCFBJO-KKPVMHFXSA-N	372.505	5.226	30	30	FKEC	
N#Cc1cc([N+](=O)[O-])ccc1C=Cc1ccc(OCc2ccc(F)cc2)cc1	2265279702	WHUHUANHEQPIGS-UHFFFAOYSA-N	374.371	5.355	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCCCC	81135756	MOQRZWSWPNIGMP-UHFFFAOYSA-N	354.619	7.981	30	30	FKEC	biogenic
FC(F)(F)c1ccc(Cl)c(NC(=S)NN=C2CCCCCC2)c1	1040801	YMLJZLKRGXJAEH-UHFFFAOYSA-N	363.836	5.355	30	30	FKEC	
CCCCCCCCCCCCCCCCCCC(=O)OCCCC	111868308	ITNVNJXRNZATAY-UHFFFAOYSA-N	354.619	7.981	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCCCCCCC(=O)OC	100168521	KCOWSNCYAACQAI-KHPPLWFESA-N	366.630	8.147	30	30	FKEC	
CCCCCCCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C	103004633	LNGLXNDFDHCOAC-UHFFFAOYSA-O	366.503	5.137	30	30	FKEC	
C/C(=N\Cc1cccc(C/N=C(\C)c2ccccc2O)c1)c1ccccc1O	1045149	QVKHQUHERBPMEV-RPCRKUJJSA-N	372.468	5.116	30	30	FKEC	
Clc1ccc(CON=C(c2ccccn2)[C@@H]2C[C@H]2c2ccccc2)cc1	2265278958	KXSCUFLGDPVJOC-VQTJNVASSA-N	362.860	5.460	30	30	FKEC	
Cc1ccc(Sc2ncccc2C=NOCc2cccc(F)c2)cc1	254288005	QUTRKPLAMBXYAM-UHFFFAOYSA-N	352.434	5.231	30	30	FKEC	
O[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1Cl	4322797	FGMZBRCYMRGNGD-ZDUSSCGKSA-N	372.667	5.598	30	30	FKEC	
CCCCCCCCCCCCCCOC(=O)CCCCCC(C)C	103832570	YALQPLPKVALUTE-UHFFFAOYSA-N	354.619	7.837	30	30	FKEC	
CCCCCCCC[C@@H]1O[C@H]1CCCCCCCC(=O)OCC(C)C	103822520	RLZMLCOLHSMIMU-SFTDATJTSA-N	354.575	6.434	30	30	FKEC	
O=C1C=C(SCC(=O)c2ccccc2)S[C@H](c2ccc(Cl)cc2)C1	1038339	HRCGRIXGOJSKBC-SFHVURJKSA-N	374.914	5.545	30	30	FKEC	
Cc1cc(Br)ccc1/N=C/c1cc(Cl)cc(Cl)c1O	1041719	MRWKNACVZNEQNV-CNHKJKLMSA-N	359.050	5.521	30	30	FKEC	
CCCCCCCCCCCC[C@H](c1ccccc1)[N+](CC)(CC)CC	60138816	INEUTTFARBFMGL-RUZDIDTESA-N	360.650	7.915	30	30	FKEC	
CCCCCCCCCCCCSC(=S)Nc1ccc(F)cc1	95723014	KBESYQUOUCIXQW-UHFFFAOYSA-N	355.588	7.177	30	30	FKEC	
N#CCCN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21	4344381	OXRLDECFFIIXET-QURGRASLSA-N	369.266	5.531	30	30	FKEC	
Cc1ccc([C@@H]2C[C@@H]2C(=NOC(=O)c2ccco2)c2ccc(F)cc2)cc1	254527899	KGHGPPSSTBSVRJ-OALUTQOASA-N	363.388	5.092	30	30	FKEC	
O=C(ON=C1CCCCCCCCCCC1)c1cccc(C(F)(F)F)c1	4342973	KTSDYDKIZUZWQG-UHFFFAOYSA-N	369.427	6.523	30	30	FKEC	
Fc1ccc2c(c1)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)CCO2	33364884	LOHFDLDMUBNROV-XKZIYDEJSA-N	358.722	5.097	30	30	FKEC	
CCCCCCCCCCCCCCCc1cccc(OC[C@H]2CO2)c1	78036831	FLMRHAZRTLGUHB-DEOSSOPVSA-N	360.582	7.098	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCN(C)C	111873786	SXIOLYXSOHUULZ-UHFFFAOYSA-N	355.607	6.353	30	30	FKEC	
CON=Cc1cc([N+](=O)[O-])ccc1Sc1cccc(Cl)c1Cl	254873429	DOQLDZCAHXRBIR-UHFFFAOYSA-N	357.218	5.033	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](C)C(=O)O	59588537	QFOLLQAEFFNUKU-GDWUOILNSA-N	354.531	6.040	30	30	FKEC	
Cc1cc(/N=C(/Nc2nccs2)NC2CCCCC2)c2ccccc2n1	4217570	SQVNITZYWXMWOG-UHFFFAOYSA-N	365.506	5.022	30	30	FKEC	in-man
CS/C(=N/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCC1	4322867	BLPUHJYIROQIPC-CIAFOILYSA-N	356.335	5.171	30	30	FKEC	
Cn1nc(C(F)(F)F)cc1-c1ccc(/C=N/c2ccc(Cl)cc2)s1	1038600	DPBCVSSAKDJHDG-ZVBGSRNCSA-N	369.799	5.571	30	30	FKEC	
CCN(CCC#N)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2(C)C)cc1	5139535	APHXZXARBRIDCF-UHFFFAOYSA-N	358.509	5.146	30	30	FKEC	
CCCCCCCCCCCCCCCCCCc1ccc(O)c(C)c1	111899862	YZNQWZJMXAWHAO-UHFFFAOYSA-N	360.626	8.505	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1C	111906856	HEJYYMALYZHULQ-FGZHOGPDSA-N	352.603	7.590	30	30	FKEC	
CCCCCCCCCCCCCCCCCCNC(=N)NC(=N)N	100114948	MNWJUMZPXYLPGT-UHFFFAOYSA-N	353.599	5.255	30	30	FKEC	
C/C(C(=O)c1ccc(C)cc1)=C(/CC(=O)c1ccccc1)c1ccccc1	4369278	FEPPRXUQWZFCEC-FCDQGJHFSA-N	354.449	5.924	30	30	FKEC	
CCCCCCCC/C=C/CCCCCCCC[N+](C)(CCO)CCO	111397023	SIIMROTZKDKRFD-ZHACJKMWSA-N	370.642	5.455	30	30	FKEC	
C/C(=N\c1ccccc1)N(C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	33867688	GTOHUYRXZMYIOT-CJLVFECKSA-N	374.400	5.383	30	30	FKEC	
Fc1c(F)c(F)c2c(c1F)Sc1c(F)c(F)c(F)c(F)c1S2	100064547	BCMGBEQPFANKSN-UHFFFAOYSA-N	360.250	5.415	30	30	FKEC	
O=C1/C(=C/c2cccc3ccccc23)CC/C1=C\c1cccc2ccccc12	4693424	FVKZRGBDPHGIQV-GJHDBBOXSA-N	360.456	6.823	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)N(C[C@@H](C)O)C[C@@H](C)O	100065812	IFQXKLVYFJPBNF-NHCUHLMSSA-N	371.606	5.058	30	30	FKEC	
C=CC(=O)OC[C@@H](C)CCCCCCCCCCCCCCCCC	111900192	FCAXOVLLASPKFQ-QFIPXVFZSA-N	352.603	7.613	30	30	FKEC	
C=CCSC1=NC(C=Cc2c(Cl)cccc2Cl)=CC(C)(C)N1	2265276441	VXUZRIZDQUTGNE-UHFFFAOYSA-N	353.318	5.548	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCCCOC=O	80020563	YOBPFSBRTYQJGQ-UHFFFAOYSA-N	354.619	7.981	30	30	FKEC	
F/C(=C(/F)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1	100050937	XEZNMPPRUWYMLS-BUHFOSPRSA-N	352.224	6.489	30	30	FKEC	
CCn1c2ccccc2c2cc(C=NN3c4ccccc4C[C@H]3C)ccc21	256460036	TWPXERWDHZWUPC-QGZVFWFLSA-N	353.469	5.600	30	30	FKEC	
Cc1ccc2c(c1)C(=NOC(=O)c1cccc(C(F)(F)F)c1)CCS2	254840426	DAZNFMFOKTWUCJ-UHFFFAOYSA-N	365.376	5.071	30	30	FKEC	
CC(C)CSc1sc(C(=O)O)c(-c2ccc(Cl)cc2)c1C#N	3045722	BJAGHCBHGOMAKS-UHFFFAOYSA-N	351.880	5.386	30	30	FKEC	
CCCCCCCCCCC(=O)O[C@H](C)[C@@H](C)OC(=O)CCCCC	95863726	LHOYOTGDPNOGNR-RTBURBONSA-N	356.547	5.961	30	30	FKEC	
O=C1/C(=C\c2c[nH]c3ccccc23)[C@H](c2ccccc2)Oc2ccccc21	1043771	XOEGOPOWDZTUJJ-VEWQMQJVSA-N	351.405	5.568	30	30	FKEC	
CSc1nc(Sc2ccccc2)c(C#N)c(Sc2ccccc2)n1	1324154	KURAURJHPIYXMW-UHFFFAOYSA-N	367.524	5.373	30	30	FKEC	
N#Cc1ccc(-c2csc(-c3ccc(C4SCCS4)cc3)n2)cc1	1046847	FTHTUQBRDKMGCB-UHFFFAOYSA-N	366.536	5.827	30	30	FKEC	
CCN(N=Cc1ccc2c(c1)c1ccccc1n2CC)c1cccc(C)c1	604941934	VIRJEGJEGJEEDN-UHFFFAOYSA-N	355.485	5.983	30	30	FKEC	
N#CCCSc1ccccc1NC(=O)c1sc2ccccc2c1Cl	3185811	GFSBXMYSIPHGJQ-UHFFFAOYSA-N	372.902	5.813	30	30	FKEC	
CCOC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1	1037674	HBIZYEFSDLQLDA-UHFFFAOYSA-N	365.907	5.617	30	30	FKEC	
O=C(O/N=C/c1c(Cl)cccc1Cl)c1cc(Cl)sc1Cl	2154556	YQORULNYALDKSU-YAXRCOADSA-N	369.056	5.553	30	30	FKEC	
CCCCCCCCCCCCCCOC(=O)CCCCCCCCC	111487352	PVJXQWMBHUOOCK-UHFFFAOYSA-N	368.646	8.371	30	30	FKEC	
CCCCCCCCCc1cnc(-c2ccc(OCCCCC)cc2)nc1	196402531	GOMPUANMXYDKMB-UHFFFAOYSA-N	368.565	7.006	30	30	FKEC	
COc1ccc(C(=O)/C=C(/CC(=O)c2ccc(F)cc2)c2ccccc2)cc1	4300953	CJEZJTZTUREGTA-SILNSSARSA-N	374.411	5.374	30	30	FKEC	
CCCCCCCCCCCCCCCCCC[C@H](CC(=O)O)C(=O)O	111413975	ZPJDFKVKOFGAFV-HXUWFJFHSA-N	370.574	6.814	30	30	FKEC	
Fc1c(F)c(F)c2c(c1F)c(F)c(F)c1c(F)c(F)c(F)c(F)c12	100106059	BTRWUZQEZSPCPS-UHFFFAOYSA-N	358.134	5.384	30	30	FKEC	
Cc1cc2nc(C=Cc3ccccc3)n(Cc3ccc(C#N)cc3)c2cc1C	2265276932	WMVNXBYDCVQCJN-UHFFFAOYSA-N	363.464	5.744	30	30	FKEC	
CC/C=C\CCOC(=O)c1ccccc1/N=C/C[C@@H](C)CCCC(C)(C)O	38645680	YSEJJZAIYYXXRI-KOUBBQRMSA-N	373.537	5.869	30	30	FKEC	
CCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl	111349291	CAUJGQDJKZXWDE-UHFFFAOYSA-N	359.765	6.601	30	30	FKEC	
CCCCCCCCCCC[C@@H](CCCCCCCC)OC(=O)[C@H](C)O	113514839	CRCDNUSPXLONIC-FCHUYYIVSA-N	370.618	6.951	30	30	FKEC	
C#Cc1ccc(OCCCCCCCC)c(OCCCCCCCC)c1	100050177	QDYNXKFFNOKBSN-UHFFFAOYSA-N	358.566	7.147	30	30	FKEC	
O=C(/C=C(/CC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccccc1	4693265	YGKPBNUXWNUZNA-HKWRFOASSA-N	371.392	5.134	30	30	FKEC	
O=C1/C(=C\c2c[nH]c3ccccc23)[C@@H](c2ccccc2)Oc2ccccc21	1043773	XOEGOPOWDZTUJJ-FTAOIEMSSA-N	351.405	5.568	30	30	FKEC	
CCCON=C(c1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1	602987236	TZIHPOQTFXRJFS-MSOLQXFVSA-N	358.825	5.183	30	30	FKEC	
CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1	59868069	BJXKLGPZWDKIHU-IBGZPJMESA-N	353.547	5.290	30	30	FKEC	
CCCCCCCCCc1cc(C)c(O)c(CCCCCCCCC)c1	100301244	SGHSRBYSXCNJLP-UHFFFAOYSA-N	360.626	8.287	30	30	FKEC	
CCCCCCCCCC[C@H](Br)CCCCCC(=O)OC	140971763	GOIAGTDABXBURQ-KRWDZBQOSA-N	363.380	6.404	30	30	FKEC	
COc1ccc(C(C)=NNc2nc(-c3ccc(Cl)cc3)cs2)cc1	254736688	QDICZWCFYCOZQC-UHFFFAOYSA-N	357.866	5.308	30	30	FKEC	
C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@@H]3CCCCO3)CC[C@@H]12	204857242	CBSPIOZBUHOZGT-SVPJMPAISA-N	372.549	5.286	30	30	FKEC	
CCCCCCCC/C=C/CCCCCCCCNCc1ccccc1O	59717323	TUUBSRLXQKBHEW-MDZDMXLPSA-N	373.625	7.519	30	30	FKEC	
CCOC(=O)c1c(Cl)c(C(C)(C)C)nc(Sc2ccccc2)c1C#N	3126900	JJUBWGUQJATOOI-UHFFFAOYSA-N	374.893	5.232	30	30	FKEC	
CCCCCCCCCCCC(=O)OC1COC(c2ccccc2)OC1	143340878	JIKLWCPECKYIJP-UHFFFAOYSA-N	362.510	5.565	30	30	FKEC	
CCCCCCCCCCCCn1c(-c2ccccc2)nc2ccccc21	50861430	TUYUDXFOYHYVOU-UHFFFAOYSA-N	362.561	7.624	30	30	FKEC	
CCCCCCCCC(=O)O[C@H](C)[C@H](C)OC(=O)/C=C/c1ccccc1	95741197	ZSKXDYWGVRISOZ-FUQHOXPJSA-N	360.494	5.314	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)OC[C@H]1COC(C)(C)O1	100069859	FUNFISHGHMLDHE-FQEVSTJZSA-N	370.574	6.162	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCOC(=O)CC	100308804	OPEHDFRKFVXKNP-UHFFFAOYSA-N	354.619	7.981	30	30	FKEC	
C/C(=N\OC(=O)Nc1ccccc1)c1sc2ccc(Cl)cc2c1C	4365617	CWCSYGXTXHVDIL-CIAFOILYSA-N	358.850	5.836	30	30	FKEC	
Cc1cccc(Cl)c1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl	3119729	JYFHPBOTPICRPT-UFWORHAWSA-N	372.708	5.276	30	30	FKEC	
C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O[C@H]3CCCCO3)CC[C@@H]12	204857261	CBSPIOZBUHOZGT-UEAPCAKCSA-N	372.549	5.286	30	30	FKEC	
FC(F)(F)c1cccc(/C=N/Cc2ccc(-c3cccs3)s2)c1	1039560	MGIKXSOUCFHZDA-UFFVCSGVSA-N	351.418	6.115	30	30	FKEC	
CCCCCCCCCCCCCCCc1cccc(OC[C@@H]2CO2)c1	78036830	FLMRHAZRTLGUHB-XMMPIXPASA-N	360.582	7.098	30	30	FKEC	
CCCCCCCc1ccc(C(=O)N/C(=N/c2ccccn2)SC)cc1	95749394	QRXLLTQDRBRDMN-UHFFFAOYSA-N	369.534	5.375	30	30	FKEC	
CCCCCCCCCC(=O)Nc1nc2c(s1)CCc1ccccc1-2	101021225	RVLSRQYGINTBKJ-UHFFFAOYSA-N	356.535	5.988	30	30	FKEC	
CCCCCCCCCCCCCCCc1nc2cc(C(=O)O)ccc2[nH]1	111891997	SWSLUNUYJRKPMS-UHFFFAOYSA-N	372.553	6.895	30	30	FKEC	
CC1(C)CCc2cc(/C=N/OC(=O)Nc3ccc(Cl)cc3)ccc2O1	1038497	LHTQSCALMUSODY-CIAFOILYSA-N	358.825	5.026	30	30	FKEC	
CCCCCCCCCCCCN1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccccc1	111892811	DTUMBPIYQSQFQV-UNMCSNQZSA-N	373.537	5.582	30	30	FKEC	
CCCC/C(C)=N/c1ccc(Cc2ccc(/N=C(\C)CCCC)cc2)cc1	111406955	JDKFIBYYGNZCBI-CRYYDKFDSA-N	362.561	7.843	30	30	FKEC	
N#Cc1ccc(C=Cc2nc3ccccc3n2Cc2cccc(Cl)c2)cc1	2265278848	FYENBMSAKZTTRC-UHFFFAOYSA-N	369.855	5.780	30	30	FKEC	
O=C(Nc1ccc(Cl)cc1)OCc1ccc(C#Cc2ccccc2)s1	3127470	RKMHIBRMWAGAFQ-UHFFFAOYSA-N	367.857	5.550	30	30	FKEC	
CCCCCCC[C@H]1CC[C@H](c2cnc(-c3ccc(C#N)cc3)nc2)CC1	267330324	VJMNQADPCKONIA-XUTJKUGGSA-N	361.533	6.650	30	30	FKEC	
CCCCCCCCCCCCCCCCCc1nc2ccccc2n1C	111415236	GJBZRASGBXVGID-UHFFFAOYSA-N	370.625	7.987	30	30	FKEC	
O[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(F)cccc1Cl	4322796	FGMZBRCYMRGNGD-CYBMUJFWSA-N	372.667	5.598	30	30	FKEC	
CSc1sc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1C#N	1037811	AVWDDGKJJODUDV-UHFFFAOYSA-N	357.382	5.004	30	30	FKEC	
CCCCCCCCCCC[C@H]1C[C@H](O)[C@H](CCCCCC)C(=O)O1	72399921	LRXRIVSWHMVULO-ACRUOGEOSA-N	354.575	6.170	30	30	FKEC	in-vitro
CCCCCCCCCCCCSC[C@H]1Nc2ccccc2N1Cl	100076385	VFZOONTUHWGFLS-FQEVSTJZSA-N	369.018	7.053	30	30	FKEC	
C=C(C)c1cc(Br)c(Br)cc1Br	90548724	PAUFOHFMOYPVBY-UHFFFAOYSA-N	354.867	5.007	30	30	FKEC	
CCCCCCC[C@H](N)CCCCCCCC[C@H](N)CCCCCCC	100295785	YQIBIVKPZIOLTN-PSWAGMNNSA-N	368.694	7.483	30	30	FKEC	
ON=C(c1ncccc1-c1ccccc1)c1ncccc1-c1ccccc1	114519266	VJFARNMYXFDTQA-UHFFFAOYSA-N	351.409	5.037	30	30	FKEC	
O=C(CC=NOCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1	254877264	OGRQXSHZAFVCFI-UHFFFAOYSA-N	370.861	5.239	30	30	FKEC	
CCCCCCCCCCCCCCCC[N+](C)(C)[C@@H]1CCCC[C@H]1O	8214369	YPQVDFLBDPTGLB-DNQXCXABSA-N	368.670	6.848	30	30	FKEC	in-man
CCCCCCCCCCC[C@H](CCCCCCCC)OC(=O)[C@@H](C)O	113514837	CRCDNUSPXLONIC-YADHBBJMSA-N	370.618	6.951	30	30	FKEC	
CSc1nc(COc2ccccc2Cl)nc(-c2cccs2)c1C#N	1035808	YJCDKHHVVPWFSR-UHFFFAOYSA-N	373.890	5.031	30	30	FKEC	
CCCCCCCCCCCCSC[C@@H]1Nc2ccccc2N1Cl	100076381	VFZOONTUHWGFLS-HXUWFJFHSA-N	369.018	7.053	30	30	FKEC	
CCCCCCCCCCCCc1ccc([N+]#N)cc1S(=O)(=O)O	111904285	UVAVRRTWWLTJOO-UHFFFAOYSA-O	353.508	5.881	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCOCC	111492198	MFEWWQYHAZUIDX-UHFFFAOYSA-N	356.591	6.828	30	30	FKEC	
Cc1ccc([C@H]2C[C@H]2C(=NOC(=O)c2ccco2)c2ccc(F)cc2)cc1	254527905	KGHGPPSSTBSVRJ-RTBURBONSA-N	363.388	5.092	30	30	FKEC	
CCCCCCCCCCCCCCCCC[C@H](C)[C@H](O)[C@@H](C)[C@H](C)O	256476829	VMGOEPRCMLMVKT-ZJZGAYNASA-N	370.662	7.262	30	30	FKEC	
C=C(C)C(=O)OCC[N+](C)(C)CCCCCCCCCCCCCC	111902089	LLNDELLCCCSVIK-UHFFFAOYSA-N	354.599	5.883	30	30	FKEC	
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	6500172	ROEIROHDVYUAGF-ZEQQQVMLSA-N	371.565	5.049	30	30	FKEC	
CCCCCCCCCCCCN1CCN(c2cccc3[nH]ccc23)CC1	95722642	OBHMEQBNCMWBFE-UHFFFAOYSA-N	369.597	6.211	30	30	FKEC	
C#C[C@@]1(Br)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@@]21C	5764464	WWRWYXVMNLDXOE-SWBPCFCJSA-N	359.307	5.015	30	30	FKEC	
CCCCCCCC[C@H]1O[C@@H]1CCCCCCCC(=O)OCC(C)C	103822526	RLZMLCOLHSMIMU-NHCUHLMSSA-N	354.575	6.434	30	30	FKEC	
CCCCCCCC/C=C/CCCCCCCC1=N[C@](C)(CO)CO1	111385085	HCIRJRYSFLWMMS-NELJVSICSA-N	351.575	6.204	30	30	FKEC	
CCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C	111487911	BAEBJZOXCRMTJX-UHFFFAOYSA-N	368.646	8.227	30	30	FKEC	
Clc1ccc([S+](c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1	90469829	RODJBIGBBLKNHX-UHFFFAOYSA-N	366.720	6.742	30	30	FKEC	
C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@]2(C)OC(C)=O	253497684	FBVIOYXUKJUFCN-JXEXPEPMSA-N	356.506	5.006	30	30	FKEC	
CCc1ccc(/N=N/c2ccc(N(C)OC(=O)c3ccccc3)cc2)cc1	5688580	XTSKKCRWIVURCS-WCWDXBQESA-N	359.429	5.873	30	30	FKEC	
C[C@]12CC[C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@H]3[C@H]1C=CC2=O	252452988	UJOCQXHOSBJACO-WBJOIXBTSA-N	358.481	5.467	30	30	FKEC	
O=C1CS/C(=N\c2ccc(F)c(Cl)c2)N1c1ccc(F)c(Cl)c1	1044451	IBHNYCJKBAAMNL-HKWRFOASSA-N	373.211	5.039	30	30	FKEC	
CCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C	5819902	UCNQPYVHDCHENM-CGRIZKAYSA-N	372.549	5.620	30	30	FKEC	in-vitro
CCCCCCCCCCCCCCCCCCOC(=O)/C=C(/C)N	100108448	IKUBTICTFSSHQW-MRCUWXFGSA-N	353.591	6.654	30	30	FKEC	
COc1ccc(C=CC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1	2265269949	XORFMZOCVUUECZ-UHFFFAOYSA-N	369.873	5.677	30	30	FKEC	
Cc1c2n(c3ccccc13)CC/C2=N/OC(=O)c1ccc(Cl)cc1Cl	12368965	ABEAXWCKQXXODS-JWGURIENSA-N	373.239	5.221	30	30	FKEC	
FC(F)(F)C(F)(C(F)(F)F)[C@@](F)(Cl)[C@@](F)(Cl)C(F)(F)F	111898650	DAKPRHAAVFWCOZ-HRFVKAFMSA-N	370.948	5.191	30	30	FKEC	
C=C(Cc1ccc(Cl)cc1)S(=O)(=O)C(=C)Cc1ccc(Cl)cc1	223653560	BLMFNYXTSPNJSB-UHFFFAOYSA-N	367.297	5.221	30	30	FKEC	
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccccc1N1CCCCCC1	4361778	SSTLDSGHYFZOPB-LPYMAVHISA-N	363.288	5.830	30	30	FKEC	
COc1nc2c(c(-c3ccc(C(F)(F)F)cc3)c1C#N)Cc1ccccc1-2	2153275	AGWPCIOXRXSMED-UHFFFAOYSA-N	366.342	5.219	30	30	FKEC	
Cc1cc2c(cc1C)CSC(c1ccc(N(C)CCC#N)cc1)SC2	2160517	HLEHESJBBYIPOF-UHFFFAOYSA-N	368.571	5.832	30	30	FKEC	
C=CCn1c(C=Cc2ccccc2)nnc1SCc1ccc(F)cc1	2265279396	PVRYJRYRYWROPS-UHFFFAOYSA-N	351.450	5.066	30	30	FKEC	
CCCCCCCCCCCCOc1ccc([C@H](N)C(F)(F)F)cc1	103539935	HOMSFKZKEPMNTQ-IBGZPJMESA-N	359.476	6.548	30	30	FKEC	
CCCCCCCC[C@H](O)[C@@H](O)CCCCCCCCCCCC(=O)O	85579799	KXWWULNBUIUDOT-SFTDATJTSA-N	372.590	5.835	30	30	FKEC	
C/C(=N\OC(=O)c1ccc(C(C)(C)C)cc1)c1csc2ccccc12	4697554	ZKZHRCXOSIECQR-HYARGMPZSA-N	351.471	5.780	30	30	FKEC	
Fc1ccc(CON=Cc2cccnc2Sc2ccc(Cl)cc2)cc1	254291076	QNXFGCKZROELAT-UHFFFAOYSA-N	372.852	5.576	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)N(C[C@H](C)O)C[C@@H](C)O	100065814	IFQXKLVYFJPBNF-OYRHEFFESA-N	371.606	5.058	30	30	FKEC	
Cc1ccc(C(=O)C=Cc2ccc(OC(=O)C=Cc3ccccc3)cc2)cc1	2265279577	ADSBSBRQOQHMHV-UHFFFAOYSA-N	368.432	5.510	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCCCCC(C)=O	62233939	CDTIEPBCRWXMBD-UHFFFAOYSA-N	366.674	9.178	30	30	FKEC	biogenic,in-vitro
CSc1c(C#N)c(-c2cc(C(C)(C)C)oc2C)nn1-c1ccc(F)cc1	1047119	NCAFUYLIINBXGG-UHFFFAOYSA-N	369.465	5.471	30	30	FKEC	
CC(C)Cc1ccc(C(=O)/C=C(\C(=O)c2ccccc2)c2ccccc2)cc1	4377892	OQKAILFHWNFALL-MOHJPFBDSA-N	368.476	6.034	30	30	FKEC	
CCCCCCCCC(=O)O[C@@H](C)[C@H](C)OC(=O)/C=C/c1ccccc1	95741196	ZSKXDYWGVRISOZ-YEORSSJUSA-N	360.494	5.314	30	30	FKEC	
C=CC(=O)OCCCCCCCCCCCCCCCCCCCC	100050651	NGYRYRBDIPYKTL-UHFFFAOYSA-N	352.603	7.757	30	30	FKEC	
COc1ccc(Oc2cc(C#N)c(C#N)cc2Oc2ccc(OC)cc2)cc1	1044109	RCDBRHMIDPDMRF-UHFFFAOYSA-N	372.380	5.032	30	30	FKEC	
COc1ccc(Br)cc1Sc1ccc(C#N)c(Cl)c1	2265383637	HYSFHFYCAITNRN-UHFFFAOYSA-N	354.656	5.134	30	30	FKEC	
CCCCCCCC[C@@H]1O[C@@H]1CCCCCCCC(=O)OCC(C)C	103822533	RLZMLCOLHSMIMU-LEWJYISDSA-N	354.575	6.434	30	30	FKEC	
N#Cc1c(SCc2ccccc2)nc2c(c1/C=C\c1ccccc1)CCC2	4366182	NIFCFECVMACLAR-PFONDFGASA-N	368.505	5.905	30	30	FKEC	
CCCCCCCCCCC[C@@H]1C[C@H](O)[C@@H](CCCCCC)C(=O)O1	142988932	LRXRIVSWHMVULO-NJYVYQBISA-N	354.575	6.170	30	30	FKEC	
CC(C)(C)c1cc(/C=N/C23CC4CC(CC(C4)C2)C3)c(O)c(C(C)(C)C)c1	7037057	NFBVZMNXZXSLPV-CVKSISIWSA-N	367.577	6.375	30	30	FKEC	
C=CCSc1ccc(Oc2ccc(NC(=O)OC(C)(C)C)cc2)cc1	198952402	HJEYJQCHSIXMDP-UHFFFAOYSA-N	357.475	6.104	30	30	FKEC	
O=C1C2=C(c3ccccc3)c3cc(Cl)ccc3[C@H]2Sc2ccccc21	3129462	KSVFJRXKCOCVRD-JOCHJYFZSA-N	360.865	6.185	30	30	FKEC	
CC(C)c1ccc(/C=C2\C(=O)c3ccccc3O[C@@H]2c2ccccc2)cc1	3138151	VHFWDYUIRZTXOX-UQTDQPHJSA-N	354.449	6.210	30	30	FKEC	
CCCCCCCCCc1cc(Cl)c(O)c(C(=O)c2ccccc2)c1	100301251	FRWSWXNRIFUJQE-UHFFFAOYSA-N	358.909	6.570	30	30	FKEC	
CCCCCCCCCCCC[N+](C)(C)COC[C@H](CC)CCCC	111905264	BWGJARJWXULJBZ-HSZRJFAPSA-N	356.659	7.174	30	30	FKEC	
O=C(Nc1ccc(/N=C/c2ccccc2Cl)cc1)c1ccccc1O	1041838	CZJKHFSCTPKPKW-LPYMAVHISA-N	350.805	5.049	30	30	FKEC	
N#Cc1ccc(C=Cc2nc3ccccc3n2Cc2ccc(F)cc2)cc1	2265278830	AAOVPIFHKSTCDI-UHFFFAOYSA-N	353.400	5.266	30	30	FKEC	
O=C(Nc1cccc(Cl)c1)O/N=C\c1ccc(C#Cc2ccccc2)cc1	4697205	SBBCIBPJVQDDIZ-JLPGSUDCSA-N	374.827	5.322	30	30	FKEC	
Cc1cc(Br)ccc1/N=C/c1ccc(-c2ccccc2)cc1	3180480	UMLNMQFQGISLPY-HYARGMPZSA-N	350.259	6.175	30	30	FKEC	
COc1ccc(C(=O)C=Cc2ccc(OC(=O)C3CCCCC3)cc2)cc1	2265279650	MPRVZMSZKXHNED-UHFFFAOYSA-N	364.441	5.077	30	30	FKEC	
CCCC1CCC([C@H]2CC[C@H](C(=O)Oc3ccc(C#N)c(F)c3)CC2)CC1	261300756	FQZYWEUVRMEURZ-NZKYNAJMSA-N	371.496	6.016	30	30	FKEC	
C/C(=N\OC(=O)c1c(F)cccc1Cl)c1csc(-c2ccccc2)n1	13469571	FFUILLNOZOMICR-SSDVNMTOSA-N	374.824	5.184	30	30	FKEC	
O=[N+]([O-])c1ccc(/C=N/c2cc(C(F)(F)F)ccc2N2CCCC2)s1	1033181	PTUBYZXFAIOFSK-KEBDBYFISA-N	369.368	5.026	30	30	FKEC	
O=C(/C=C/c1cc(-c2ccccc2)c(C(F)(F)F)s1)c1cccs1	4390134	TTWUTBKSVLMVSU-CMDGGOBGSA-N	364.413	6.392	30	30	FKEC	
C=COCCCCCCCCCCCCCCCCCCCCCC	114661472	PSYZZPZSAKLGJZ-UHFFFAOYSA-N	352.647	8.968	30	30	FKEC	
CC(C)Cc1ccc(-c2cc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1	1046341	YBMPXPBQIYDROY-UHFFFAOYSA-N	362.860	5.432	30	30	FKEC	
CCCCCCCCCCC[C@@H](CCCCCCCC)OC(=O)[C@@H](C)O	113514836	CRCDNUSPXLONIC-FGZHOGPDSA-N	370.618	6.951	30	30	FKEC	
CCCCCCCCCCCCCCCCCCN1CC(=O)NC1=O	111897117	SMCUEMZWAQLBET-UHFFFAOYSA-N	352.563	5.800	30	30	FKEC	
CCCCCCCC/C=C/CCCCCCCC1=N[C@@](C)(CO)CO1	111385080	HCIRJRYSFLWMMS-NEQMZLFVSA-N	351.575	6.204	30	30	FKEC	
CCCCCCCOc1ccc(NC(=O)OCCN2CCCCC2)cc1	95827796	VXDSHHAHRRCBLH-UHFFFAOYSA-N	362.514	5.070	30	30	FKEC	
O/N=C/Nc1ccccc1Sc1nc2c(Cl)cc(Cl)cc2s1	2147632	HTHIUAUWSDGISH-UHFFFAOYSA-N	370.286	5.584	30	30	FKEC	
CCCCCCCCCc1cc(C)cc(CCCCCCCCC)c1O	100301230	UXMKUNDWNZNECH-UHFFFAOYSA-N	360.626	8.287	30	30	FKEC	
CC(C)(C)c1ccc(C(=O)O/N=C2\CCCc3[nH]c4ccccc4c32)cc1	1036898	KEUVEDUKNQBHEC-LKUDQCMESA-N	360.457	5.363	30	30	FKEC	
CCCCCCCC/C=C/CCCCCCCCN(CCO)CCO	95803370	BITAPBDLHJQAID-MDZDMXLPSA-N	355.607	5.311	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCCC1=N[C@@](C)(CO)CO1	111412017	AUSVTYYZQSKSSK-JCKUYFFHSA-N	365.602	6.594	30	30	FKEC	
CCCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1	78067300	NVTGIHULGRHJOP-UHFFFAOYSA-N	374.677	8.134	30	30	FKEC	
CCCCCCCC[C@@H](CCCCCC)COC(=O)CCCCCCC	111899850	NNHMAUVBQAHWPH-HSZRJFAPSA-N	368.646	8.227	30	30	FKEC	
O=C(OCc1ccc(C#Cc2ccccc2)s1)c1ccc(Cl)cc1	3127478	SZBQAMJWRYFVFE-UHFFFAOYSA-N	352.842	5.158	30	30	FKEC	
CCCCCCCCCCCCOC(=O)c1ccc(C(=O)OCC)cc1	137115057	NUDDPKPUKLUAJQ-UHFFFAOYSA-N	362.510	5.941	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OC1CCCCC1	100307156	NRVKWKPZZQHRSP-UHFFFAOYSA-N	366.630	8.124	30	30	FKEC	
CCCCCCCCCCCCCCNS(=O)(=O)c1ccc(C)cc1	100090004	IRHWJIHROCGHDY-UHFFFAOYSA-N	367.599	5.974	30	30	FKEC	
CCCCCCCCCCCCCCCCCCNC(=O)N1C[C@@H]1C	111400638	ZWCLYJFNWMDODI-XEGCMXMBSA-N	352.607	6.662	30	30	FKEC	
COc1ccc([C@H]2C[C@H]2C(C)=NOCc2c(Cl)cccc2Cl)cc1	725274078	JIMACHJGDFRGCV-JKSUJKDBSA-N	364.272	5.698	30	30	FKEC	
C=CC(=O)OCCCCCCCCCCCCCCCCCCCCC	137318555	OYHXRBXEKFHLIB-UHFFFAOYSA-N	366.630	8.147	30	30	FKEC	
FC(F)(F)C(F)(C(F)(F)F)[C@@](F)(Cl)[C@](F)(Cl)C(F)(F)F	111898655	DAKPRHAAVFWCOZ-STHAYSLISA-N	370.948	5.191	30	30	FKEC	
Cc1c(C#N)c(SCc2cccc(C(F)(F)F)c2)nc2ccccc12	1324169	LRPDRGDIUUUOSV-UHFFFAOYSA-N	358.388	5.726	30	30	FKEC	
CCCC[N+](CCCC)(CCCC)CC(=O)c1ccc2ccccc2c1	90416758	TZIGECBMCYGIJP-UHFFFAOYSA-N	354.558	6.240	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)N(CC)CCO	100117429	AMPMLHRGDKAIBJ-UHFFFAOYSA-N	355.607	6.089	30	30	FKEC	
CCCCCCCCCCN(CCCCCCCCCC)c1ccccc1	95598875	JJWRKQIITDNSSJ-UHFFFAOYSA-N	373.669	8.774	30	30	FKEC	
CCCCCCCc1ccc(C=Nc2ccc(C(=O)OCC)cc2)cc1	254612650	VEXYLKQNVUNKKU-UHFFFAOYSA-N	351.490	6.127	30	30	FKEC	
CCCCCCCCN1C(=O)O[C@H](c2ccc(SC(C)C)cc2)[C@H]1C	111888515	UMRYNDVEINOMAE-XLIONFOSSA-N	363.567	6.429	30	30	FKEC	
CCOC(=O)c1ccc2c(c1)CC/C(=C\c1cccc(C(F)(F)F)c1)C2=O	4709801	PMRYXWRYEITPLY-XNTDXEJSSA-N	374.358	5.095	30	30	FKEC	
CCCCCCCc1ccc(C(=O)NC(=S)Nc2cccc(C)n2)cc1	95749399	VWYCSZIHZVJFEA-UHFFFAOYSA-N	369.534	5.030	30	30	FKEC	
Cc1cc(/C=N\Nc2ccc([N+](=O)[O-])cc2)c2c(C)ccc(C(C)C)cc1-2	4709883	NVEMTLPIVVKUAB-QRVIBDJDSA-N	361.445	5.886	30	30	FKEC	
CCCCCCCCOCOc1ccc2nc3ccc(=O)cc-3oc2c1	115244794	CASMHOWZGVZVPK-UHFFFAOYSA-N	355.434	5.006	30	30	FKEC	
c1ccc(N/N=C(/N=N/c2cccc3ccccc23)c2ccccc2)cc1	100010555	AXEBHHNKLXVOET-AOWSIEKHSA-N	350.425	6.397	30	30	FKEC	
N#Cc1c(S)nc(SCc2ccccc2)nc1-c1ccc(Cl)cc1	1037091	DGTGSEWAADRXAQ-UHFFFAOYSA-N	369.902	5.250	30	30	FKEC	
CC(C)(C)CC/N=C(\c1cc(Cl)ccc1O)c1ccccc1Cl	100075359	UPTMKIUVGONEJZ-PYCFMQQDSA-N	350.289	5.973	30	30	FKEC	
N#Cc1cccc(C#N)c1Oc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	1024247	KJYNAZBKIBFWRC-UHFFFAOYSA-N	373.799	5.128	30	30	FKEC	
CCCCCCCCCCC[C@@H]1C[C@@H](O)[C@H](CCCCCC)C(=O)O1	103621771	LRXRIVSWHMVULO-QHAWAJNXSA-N	354.575	6.170	30	30	FKEC	
CSc1c(C#N)c(-c2cc(C(C)(C)C)oc2C)nn1-c1ccccc1	1047124	SMTWTNFWZFXIJP-UHFFFAOYSA-N	351.475	5.332	30	30	FKEC	
C[C@@H]1Sc2ccc(Cl)cc2C(=O)/C1=C/c1ccc(C(F)(F)F)cc1	4693471	WVUYIGTVFMVPTG-CEITULEQSA-N	368.807	6.119	30	30	FKEC	
N#Cc1ccc2[nH]cc(CCN(Cc3ccccc3)Cc3ccccc3)c2c1	19925060	HCEWQQFODCKIIA-UHFFFAOYSA-N	365.480	5.284	30	30	FKEC	
CCCCCCCCCc1ccc(-c2cnc(CCCCCC)nc2)cc1	95722809	GLLCRGUFTOZOCG-UHFFFAOYSA-N	366.593	7.560	30	30	FKEC	
CCCCCCCCCCCCCCCCOC(=O)CCCCC(C)C	100309984	OIKBVOIOVNEVJR-UHFFFAOYSA-N	368.646	8.227	30	30	FKEC	
CC(C)(C)CC(C)(C)NC(=O)c1cccc(/N=C/c2ccccc2O)c1	1042424	FQNHIXLDBSTZSG-OEAKJJBVSA-N	352.478	5.087	30	30	FKEC	
CCCCCCCC[C@@H](CCCCCC)COc1ccccc1C(N)=O	100291301	CMQJSECIJIYKFU-HXUWFJFHSA-N	361.570	6.502	30	30	FKEC	
CCCC(/N=C/c1cc(Cl)ccc1O)/N=C/c1cc(Cl)ccc1O	1046322	VPEHNCNZNYRKSA-OIEABDAFSA-N	365.260	5.069	30	30	FKEC	
CCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1	111882621	NCPGGWYWLQAEMT-UHFFFAOYSA-N	360.434	7.139	30	30	FKEC	
O=C(Nc1ccc(/N=C/c2ccc(Cl)cc2)cc1)c1ccccc1O	1041836	JPDHULYXAAAJSP-LPYMAVHISA-N	350.805	5.049	30	30	FKEC	
C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)OC(C)=O	253497681	FBVIOYXUKJUFCN-DEDMPRLZSA-N	356.506	5.006	30	30	FKEC	
CC[C@@H](C)COC(=O)/C=C/c1ccc(/N=C/c2ccc(OC)cc2)cc1	2014855	FKZXVOQEYXOXAD-PKNPZCFESA-N	351.446	5.048	30	30	FKEC	
Cc1ccccc1N=C1SCCN1C(=S)Nc1cccc(Cl)c1	83298681	QPYBRXPFBBURFX-UHFFFAOYSA-N	361.923	5.082	30	30	FKEC	
Cc1ccc(C(=O)C/C(=C2/CCc3ccccc3C2=O)c2ccccc2)cc1	1041123	RFSMDCSCNHQNFP-WCWDXBQESA-N	366.460	5.851	30	30	FKEC	
CCCCCCCCCCCCCCCCCCSCCC(N)=O	145942422	PQQDKPHUVUOIDQ-UHFFFAOYSA-N	357.648	6.857	30	30	FKEC	
CC(C)(C)c1ccc(/N=C/c2c(-c3ccccc3)nc3n2CCS3)cc1	1039657	FHALXJZHSAYCSZ-HZHRSRAPSA-N	361.514	5.704	30	30	FKEC	
CCCCCCCCCCCCCCCC[C@H](O)COCCOCCO	100355819	ZRPMKCRNMKWTGW-QFIPXVFZSA-N	374.606	5.244	30	30	FKEC	
CCCCCCCCN1C(=O)O[C@H](c2ccc(SC(C)C)cc2)[C@@H]1C	111888519	UMRYNDVEINOMAE-PXNSSMCTSA-N	363.567	6.429	30	30	FKEC	
Cc1nc(-c2ccccc2)nc(SCc2c(F)cccc2Cl)c1C#N	4324705	KHPMJTCGFPNXOB-UHFFFAOYSA-N	369.852	5.409	30	30	FKEC	
Cc1ccc2c(c1)N[C@@H](C=Cc1ccccc1)C1=C(CC(C)(C)CC1=O)N2	2265272023	HFRXROBHKRETCU-IBGZPJMESA-N	358.485	5.558	30	30	FKEC	
CCCCCCCCCCOc1ccc(/C(=N\O)c2ccc(C)cc2)cc1	3142276	XLXBKMZUAFCQAQ-IZHYLOQSSA-N	367.533	6.741	30	30	FKEC	
CCCCCCCCCCCCCCC/C=C/C1=NC(CO)(CO)CO1	100050294	XOIFQOFMUVENJH-WUKNDPDISA-N	367.574	5.176	30	30	FKEC	
CC/C=C\CCOC(=O)c1ccccc1/N=C/C[C@H](C)CCCC(C)(C)O	38645686	YSEJJZAIYYXXRI-XYDKGZQDSA-N	373.537	5.869	30	30	FKEC	
Cc1cc(Cl)cc2c1C(=O)/C(=C\c1cc(Br)cs1)S2	1048991	XSZXNEWYEWBIJZ-LFYBBSHMSA-N	371.708	5.802	30	30	FKEC	
O=C(C=Cc1ccccc1)c1ccc(Oc2ccc(Cl)cc2)cc1Cl	2265270042	CGBQFYFQBUDGEE-UHFFFAOYSA-N	369.247	6.682	30	30	FKEC	
O=C1C(=Nc2ccc(C(F)(F)F)cc2)c2ccccc2N1c1ccccc1	254396138	LKJZKWBKJKHTBI-UHFFFAOYSA-N	366.342	5.505	30	30	FKEC	
O=C(O/N=C1\CCCc2[nH]c3ccccc3c21)c1c(Cl)cccc1Cl	13464261	POXRCHWHPBJSBA-XQNSMLJCSA-N	373.239	5.372	30	30	FKEC	
CCCCCCCCCCCCCCCCCCc1cc(O)ccc1O	111391283	GDOYYIKTCYJSRI-UHFFFAOYSA-N	362.598	7.902	30	30	FKEC	
CCCON=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1	602987237	TZIHPOQTFXRJFS-QZTJIDSGSA-N	358.825	5.183	30	30	FKEC	
FCCCOc1ccc(C=NOCc2c(Cl)cccc2Cl)cc1	254531363	PCDQWMGZODGFNR-UHFFFAOYSA-N	356.224	5.283	30	30	FKEC	
CCCCCCCCCCCCCCCC[C@@H](O)COCCOCCO	100355824	ZRPMKCRNMKWTGW-JOCHJYFZSA-N	374.606	5.244	30	30	FKEC	
FC(F)(F)c1cccc(NC(=S)N/N=C/c2cccc3ccccc23)c1	3119219	SOUJAVWGKLCDFB-FSJBWODESA-N	373.403	5.179	30	30	FKEC	
O=C(C=Cc1ccc(OC(=O)C2CCCCC2)cc1)c1ccc(F)cc1	2265279657	NOVVHPDAPKMLMY-UHFFFAOYSA-N	352.405	5.208	30	30	FKEC	
CCCCCCCCCCCC[N+](C)(C)Cc1cccc2ccccc12	95742311	FSIALNWCGBLSCY-UHFFFAOYSA-N	354.602	7.337	30	30	FKEC	
CCCCCCCCCCCCCC/C=C/CC1=NCCN1CCO	101034921	YMKYXPRKQDTASZ-FOCLMDBBSA-N	350.591	5.730	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)OCCOCCCC	100306081	QSSAKBZMXVUORV-UHFFFAOYSA-N	356.591	6.828	30	30	FKEC	
CCCCCCCCOc1ccc(-c2ncc(OCCCC)cn2)cc1	59066200	BRBDNNGCDBEPFS-UHFFFAOYSA-N	356.510	6.062	30	30	FKEC	
CCCCCCCCCCCCCCCCCOC(=O)OC[C@@H](C)O	504610207	BPTPGVPKBOUNBG-HXUWFJFHSA-N	358.563	6.392	30	30	FKEC	
S=C(N/N=C\c1cccc2ccccc12)Nc1cccc(Cl)c1Cl	13467665	FSCVDLSEKHJREL-NHDPSOOVSA-N	374.296	5.467	30	30	FKEC	
CCCCCCCCC(=O)O[C@@H](C)[C@@H](C)OC(=O)/C=C/c1ccccc1	95741194	ZSKXDYWGVRISOZ-YESYDRAFSA-N	360.494	5.314	30	30	FKEC	
CC1(C)CC(=O)c2c(SCc3ccc(Cl)cc3)sc(C#N)c2C1	1037761	ARJLTFGWIHELDC-UHFFFAOYSA-N	361.919	5.721	30	30	FKEC	
Clc1cc(Cl)c(N/N=C/c2cc(Cl)sc2Cl)c(Cl)c1	4389760	SWRKVFBDTJXYTN-HAVNEIBRSA-N	374.507	6.461	30	30	FKEC	
CCCCCCCCCCCCCCCCNC(=O)[C@H](N)CCCCN	8214422	LWEXAPVESMZHFG-OAQYLSRUSA-N	369.638	5.040	30	30	FKEC	in-man
CC(=NNc1ccccc1F)c1ccc2noc(-c3ccc(F)cc3)c2c1	254825094	AIEBVWAXLJLZCI-UHFFFAOYSA-N	363.367	5.609	30	30	FKEC	
CCCCCCCCCCCC[N+](C)(C)COC[C@@H](CC)CCCC	111905263	BWGJARJWXULJBZ-QHCPKHFHSA-N	356.659	7.174	30	30	FKEC	
CCCCCCCCCCCCCC[C@@H](C)OC(=O)[C@@H]1CCC(=O)N1	111872632	XPTUNYJQBDNKTK-MOPGFXCFSA-N	353.547	5.288	30	30	FKEC	
Oc1c(Cl)cc(Cl)cc1/C=N/c1ccc(OC(F)(F)F)cc1	1046868	UBYXJMKECXSWBH-IFRROFPPSA-N	350.123	5.348	30	30	FKEC	
CCCCCCCCCCCCCCCCN[C@]1(CO)C[C@H]2C=C[C@H]1C2	100099724	HWXWHIVXDVGDPL-HJOGWXRNSA-N	363.630	6.384	30	30	FKEC	
Brc1ccccc1NN=C(Cc1ccccc1)c1ccccc1	604942506	XTDOLOGMVIUXTA-UHFFFAOYSA-N	365.274	5.508	30	30	FKEC	
CCCCCCCCCCC[C@@H]1C[C@@H](O)[C@@H](CCCCCC)C(=O)O1	142988743	LRXRIVSWHMVULO-NJDAHSKKSA-N	354.575	6.170	30	30	FKEC	in-vitro
O=[N+]([O-])c1ccc(/C=N/Nc2c(Cl)cc(Cl)cc2Cl)s1	4377504	JFBOMPQDLNRACW-PJQLUOCWSA-N	350.614	5.063	30	30	FKEC	
CCCCCCCCC(OCCCCCCC)OCCCCCCC	111902876	LSUBJKMXQOLTFL-UHFFFAOYSA-N	356.635	8.037	30	30	FKEC	
CCCCCCCCCCCCCCCCOCCCNCCCN	103843968	JKVCENSTXGEMCE-UHFFFAOYSA-N	356.639	5.813	30	30	FKEC	
CCCCCCCCCCCCCCCCCCOC(=O)C=CC(=O)O	2265364095	MHQJUHSHQGQVTM-UHFFFAOYSA-N	368.558	6.432	30	30	FKEC	
O=C1C(=CNc2ccc(OC(F)(F)F)cc2)CCc2c1[nH]c1ccccc21	2265269906	GROKYYZBVJXXMN-UHFFFAOYSA-N	372.346	5.191	30	30	FKEC	
CCCCSc1sc(C(=O)OC)c(-c2ccc(Cl)cc2)c1C#N	3045707	PDJXIQRSUZKFDX-UHFFFAOYSA-N	365.907	5.619	30	30	FKEC	
CCCCCCCCCCCCC(=O)CCCCCCCCCCCC	62238152	VTPOKROHHTWTML-UHFFFAOYSA-N	366.674	9.178	30	30	FKEC	
CCCCCCCCC/C=C/COC(=O)CCC(=O)N1CCCCC1	238790533	JNFBTQCOKUMBAO-GXDHUFHOSA-N	351.531	5.019	30	30	FKEC	
C=C(C)C(=O)OCCCCCCCCCCCCCCCCCC(C)C	38656963	DCJOCPLKOTVHGV-UHFFFAOYSA-N	366.630	8.003	30	30	FKEC	
O=C(CC=NOCc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1	4089996	TUQONRLMLYZJNE-UHFFFAOYSA-N	372.635	5.145	30	30	FKEC	
N#CCCSc1ccccc1/N=C/c1cc(Cl)cc(Cl)c1O	4377246	KZIBTFIUWMJCQS-KEBDBYFISA-N	351.258	5.455	30	30	FKEC	
CCCCCCCCCCCCN1C(=O)C[C@H](C(=O)O)[C@H]1c1ccccc1	111892808	DTUMBPIYQSQFQV-RBBKRZOGSA-N	373.537	5.582	30	30	FKEC	
CCOC(=O)c1cccc(CO/N=C(\C)c2ccc(Cl)c(Cl)c2)c1	4361993	DKTRBGUFZTXLFN-CIAFOILYSA-N	366.244	5.111	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)N(CCN)CCO	111388200	YLWQPJKQVUOINR-UHFFFAOYSA-N	370.622	5.028	30	30	FKEC	
COc1cc(CC/C(C)=N/O)ccc1OCc1ccc(Cl)c(Cl)c1	4698685	KHZJAYWDAIUPAY-CIAFOILYSA-N	368.260	5.364	30	30	FKEC	
CCCCCCCCCCCCCCCCCC(=O)OCCCCCC	100307306	SMWDEDPRQFUXNH-UHFFFAOYSA-N	368.646	8.371	30	30	FKEC	
C=C(C)C(=O)OCCCCCCCCCCCCCCCCCCCC	111471568	CFBXDFZIDLWOSO-UHFFFAOYSA-N	366.630	8.147	30	30	FKEC	
O=C1C(=Nc2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1	888087035	TXCGMRVPXUBHAL-UHFFFAOYSA-N	366.342	5.505	30	30	FKEC	in-vitro
CCCCCCCCCCCCCCC[C@@H](O)[C@H](CO)NCCCC	100130005	MGEKJAXXZAAIJV-FCHUYYIVSA-N	357.623	5.579	30	30	FKEC	
CCCCCCCCc1ccc(C(Cl)=Cc2ccc(OCC)cc2)cc1	2265291691	GSDUCZGRMDRJKE-UHFFFAOYSA-N	370.964	7.725	30	30	FKEC	
CCCCCCCCCCCCCCCC[N+](C)(C)[C@H]1CCCC[C@H]1O	56898792	YPQVDFLBDPTGLB-BJKOFHAPSA-N	368.670	6.848	30	30	FKEC	in-man
CCCCCCCCC(=O)OCCCCOC(=O)CCCCCCCC	100064081	NSZQGANCYYPANK-UHFFFAOYSA-N	370.574	6.354	30	30	FKEC	
CC(C)(C)c1ccc(NN=Cc2ccc(OCc3ccccc3)cc2)cc1	254616533	BAHKJVNSCPNORN-UHFFFAOYSA-N	358.485	6.009	30	30	FKEC	
CCCCCc1ccc(C(=O)O/N=C/c2c(Cl)cccc2Cl)cc1	3128744	NMVNGBONAKKXQG-LPYMAVHISA-N	364.272	5.917	30	30	FKEC	
O=C(OCc1ccc(C#Cc2ccccc2)s1)c1ccccc1Cl	3127479	MVCHRDHJLCVANN-UHFFFAOYSA-N	352.842	5.158	30	30	FKEC	
Cc1c(C)c(C)c(C[C@H]2CC/C(=C\C=C\c3ccccc3)C2=O)c(C)c1C	4322263	SYTXWKSBZLWXBL-AONWMDGZSA-N	358.525	6.390	30	30	FKEC	
N#Cc1c(-c2ccccc2)noc1C=CNc1cccc(C(F)(F)F)c1	2265276303	PPGGNKPYXZXUMZ-UHFFFAOYSA-N	355.319	5.315	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCC(=O)OCC(C)C	100121749	WKVHKJPNBFWXHD-UHFFFAOYSA-N	368.646	8.227	30	30	FKEC	
Brc1ccc(/C=N/c2ccccc2)c(OCc2ccccc2)c1	34807342	OVBODOPJESIMTC-HYARGMPZSA-N	366.258	5.779	30	30	FKEC	
CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC	111398278	QKZWHBZWJOJJHF-UHFFFAOYSA-N	370.574	6.354	30	30	FKEC	
CCCCCCCCOCP(=O)(CCCCCC)CCCCCC	136870281	OMLVPEUOCUINNC-UHFFFAOYSA-N	360.563	7.845	30	30	FKEC	
C=C1C[C@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CC[C@]2(C)OC(C)=O	253497683	FBVIOYXUKJUFCN-IOEODSHDSA-N	356.506	5.006	30	30	FKEC	
C/C(=N\OC(=O)Nc1cc(C(C)(C)C)n(-c2ccccc2)n1)C(C)(C)C	12368076	VFPOWHYAOXXGBV-OEAKJJBVSA-N	356.470	5.140	30	30	FKEC	
CCCCCCCCOC(=O)[C@H](CCCCCC)CCCCCCCC	103823187	BMEOCUNQVBHWRZ-HSZRJFAPSA-N	368.646	8.227	30	30	FKEC	
Cc1onc(-c2ccccc2)c1-c1csc(N/N=C/c2ccccc2)n1	4394656	YEJJCFSYEVSIAA-CIAFOILYSA-N	360.442	5.220	30	30	FKEC	
CCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C	103822014	GFVYDNHWTCHDSN-UHFFFAOYSA-N	368.646	8.227	30	30	FKEC	
CCCCCCCNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C	95742660	VRPOZQGFXFIWBV-UHFFFAOYSA-N	369.292	5.657	30	30	FKEC	
CCCCCCCC[C@H](CCCCCC)COc1ccccc1C(N)=O	100291298	CMQJSECIJIYKFU-FQEVSTJZSA-N	361.570	6.502	30	30	FKEC	
O=C(Nc1ccc(Cl)cc1)OCC#Cc1ccc(-c2ccccn2)s1	3125879	KEFXUWDEBMUNGN-UHFFFAOYSA-N	368.845	5.064	30	30	FKEC	
CCCCC1CCC(C(=O)Oc2ccc(-c3ccc(C#N)cc3)cc2)CC1	3894515	UPZWPROWEKXOLJ-UHFFFAOYSA-N	361.485	6.127	30	30	FKEC	
CCCCCCCCCCCC(c1ccc(O)cc1)c1ccc(O)cc1	59584956	YMZDMPPYBDUSMI-UHFFFAOYSA-N	354.534	7.151	30	30	FKEC	
FC(F)(F)c1cccc(CON=C2CCCc3c2[nH]c2ccccc32)c1	2265276425	QPTNKAUXEHIHCV-UHFFFAOYSA-N	358.363	5.444	30	30	FKEC	
CC1(C)CCc2cc(/C=N/OC(=O)Nc3cccc(Cl)c3)ccc2O1	1038499	OQDVSKOPPYDJAK-CIAFOILYSA-N	358.825	5.026	30	30	FKEC	
N#CCCSc1ccccc1NC(=O)[C@@H](c1ccccc1)C1CCCC1	2160858	SRIXYTDQCFKDLL-NRFANRHFSA-N	364.514	5.605	30	30	FKEC	
O=C(ON=C(c1ccc(F)cc1)c1ccc(F)cc1)c1ccc(Cl)cc1	2163173	CAZWUIUAAKJBGO-UHFFFAOYSA-N	371.770	5.228	30	30	FKEC	
COc1ccc(C(=CNc2ccc(Cl)cc2Cl)C(C)=O)cc1OC	2265271898	BVMRPISLLQYRDM-UHFFFAOYSA-N	366.244	5.053	30	30	FKEC	
O=C(O/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1ccc(Cl)cc1	1024202	HWFTWDFVSGIFJA-LSHDLFTRSA-N	361.731	5.069	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCC(=O)OCCNCCO	111403157	UHEVUYWIUKQMTJ-KTKRTIGZSA-N	369.590	5.149	30	30	FKEC	
CCCCCCCCP(=O)(OCCCCCC)OCCCCCC	59103015	NSGCSTCBJJKWNG-UHFFFAOYSA-N	362.535	7.734	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCCC[C@H](O)CO	102186357	PTSXVUICYWATQI-DEOSSOPVSA-N	370.662	7.552	30	30	FKEC	biogenic,in-vitro
CCCCN(CCC#N)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1	5315507	MVKMKUHSGHKEDT-QURGRASLSA-N	351.410	5.530	30	30	FKEC	
CCCCCCCCCCCCCCCCCCCCCCCCS	113683139	BVPRDJDJPZQSIU-UHFFFAOYSA-N	370.731	9.518	30	30	FKEC	
CCCCCCCCC(=O)Nc1nc2c(s1)CCc1cc(OC)ccc1-2	84710456	LEEJVROBWNSTMG-UHFFFAOYSA-N	372.534	5.606	30	30	FKEC	
Clc1ccc(/C=N/OCc2cc(Cl)sc2Cl)c(Cl)c1	4323437	LTRWZBIQBIBYQH-YAXRCOADSA-N	355.073	5.912	30	30	FKEC	
CCOC(=O)c1ccc(Cl)c(/N=C/c2cc(Cl)cc(Cl)c2O)c1	1041805	OEKAYQSWYXVWNL-DNTJNYDQSA-N	372.635	5.280	30	30	FKEC	
COc1ccc(Br)cc1Sc1ccc(C#N)cc1Cl	2265383685	OZHQQIQUYIVDMF-UHFFFAOYSA-N	354.656	5.134	30	30	FKEC	
CCCCCCCCCCCCCCCCCCNC(=O)N1C[C@H]1C	111400641	ZWCLYJFNWMDODI-CILPGNKCSA-N	352.607	6.662	30	30	FKEC	
O=C(/C=C/c1cc(Cl)ccc1-c1cccs1)c1ccc(Cl)cc1	38611819	PYNRSLVTMKQZAW-BJMVGYQFSA-N	359.277	6.618	30	30	FKEC	
CCCCCCCCCCC[C@@H](O)C[C@@H]1OC(=O)[C@H]1CCCCCC	77293332	RSOUWOFYULUWNE-HKBOAZHASA-N	354.575	6.170	30	30	FKEC	in-vitro
O=C(/C=C/c1ccccc1)c1ccc(-c2ccc(Br)cc2)cc1	38637293	NTCBUXIQMLORSI-GIDUJCDVSA-N	363.254	6.012	30	30	FKEC	
O=C(C/C(=C1/CCc2ccccc2C1=O)c1ccccc1)c1ccccc1	1041120	GXKLVVUJOJTLCC-GHVJWSGMSA-N	352.433	5.542	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@@H]1C	111906850	HEJYYMALYZHULQ-FCHUYYIVSA-N	352.603	7.590	30	30	FKEC	
Clc1ccc(CON=C(c2ccccn2)[C@@H]2C[C@@H]2c2ccccc2)cc1	2265278959	KXSCUFLGDPVJOC-WOJBJXKFSA-N	362.860	5.460	30	30	FKEC	
Clc1nc2sccn2c1C=Nc1ccc(Oc2ccccc2)cc1	254448417	JPZNYKRUEKWCDI-UHFFFAOYSA-N	353.834	5.592	30	30	FKEC	
O=C1C(=Cc2ccccc2)CN(Cc2ccccc2)CC1=Cc1ccccc1	2265270014	VATOZJIGHBQVFX-UHFFFAOYSA-N	365.476	5.239	30	30	FKEC	
Clc1cccc(N/N=C/c2cccn2-c2cc(Cl)cc(Cl)c2)c1	4363247	DHXKJYKNQQYYDJ-SRZZPIQSSA-N	364.663	5.884	30	30	FKEC	
FC(F)(F)c1cc(Cl)c(N/N=C2/CCCc3ccccc32)c(Cl)c1	100381309	LOGJDNRPTIDJEH-HAHDFKILSA-N	373.205	6.165	30	30	FKEC	
N#Cc1cc(CCCCc2cc(C#N)c3ccccc3c2)cc2ccccc12	3126350	VBEQYCCZNDGEBQ-UHFFFAOYSA-N	360.460	6.302	30	30	FKEC	
CCCCCCCCCCCCCCCC(=O)OCC(C)(CO)CO	106401470	RZCXLAVLGNSKPI-UHFFFAOYSA-N	358.563	5.002	30	30	FKEC	
CCCCCCCC/C=C\CCCCCCCCC1=N[C@](C)(CO)CO1	111412023	AUSVTYYZQSKSSK-ZXEGGCGDSA-N	365.602	6.594	30	30	FKEC	
CCCON=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1	602987239	TZIHPOQTFXRJFS-ZWKOTPCHSA-N	358.825	5.183	30	30	FKEC	
FCCCOc1ccc(C=NOCc2ccc(Cl)cc2Cl)cc1	602987060	MYQUBZRSPZJQTF-UHFFFAOYSA-N	356.224	5.283	30	30	FKEC	
CCCCCCCCCCCCCC[C@H](C)OC(=O)[C@@H]1CCC(=O)N1	111872638	XPTUNYJQBDNKTK-OALUTQOASA-N	353.547	5.288	30	30	FKEC	
CCOc1ccc2nc(S/C=C/C(=O)c3ccc(OC)cc3)sc2c1	1036784	GUFHWXYVAQNWRG-ZHACJKMWSA-N	371.483	5.192	30	30	FKEC	
COc1ccc([C@@H]2C[C@H]2C(C)=NOCc2c(Cl)cccc2Cl)cc1	725274076	JIMACHJGDFRGCV-HOTGVXAUSA-N	364.272	5.698	30	30	FKEC	
CCCCCCCC[C@@H](O)[C@@H](O)CCCCCCCCCCCC(=O)O	85579801	KXWWULNBUIUDOT-RTWAWAEBSA-N	372.590	5.835	30	30	FKEC	
O=C1C(=CNc2cccc(C(F)(F)F)c2)Oc2ccc3ccccc3c21	2265279209	KPWHGMYAKUUHDR-UHFFFAOYSA-N	355.315	5.387	30	30	FKEC	
COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1OCc1ccccc1	1041491	NNOJHGFNPALXBX-RCCKNPSSSA-N	370.448	5.487	30	30	FKEC	
Cc1nc(-c2ccccc2)sc1C(=O)C=Cc1cccc(C(F)(F)F)c1	2265276449	YAPMDVKYUWDVQY-UHFFFAOYSA-N	373.399	6.033	30	30	FKEC	
CCCCCCCCCCCCCCCCN[C@@]1(CO)C[C@H]2C=C[C@H]1C2	100099728	HWXWHIVXDVGDPL-KMDXXIMOSA-N	363.630	6.384	30	30	FKEC