smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccccn1	4899343	PYIPHRIXTSWALS-RGVLZGJSSA-N	325.755	3.759	50	50	EHGA	
N#CCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)CC(=O)N1	8994547	RQPHADTXQUHGTR-GFCCVEGCSA-N	331.828	3.716	50	50	EHGA	
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(CCCO2)[C@@]2(CCCO2)C1=O	169834151	CGOFNONQBVUREP-JCGIZDLHSA-N	340.536	3.838	50	50	EHGA	
CCOc1ccccc1/C=N/NC(=O)c1[nH]nc(-c2ccccc2)c1C	5297596	GWOQLMRTIYGFSH-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
O=C(Nc1ccc2cnn(CCCC(F)(F)F)c2c1)[C@H](F)Cl	2325897849	KMFXDTDTJSISKY-NSHDSACASA-N	337.704	3.852	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(Cl)c1	125869	RMPZFHUOSXNZFH-HNNXBMFYSA-N	328.799	3.791	50	50	EHGA	
CCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1	482892	DCWYYWRYGWOHTK-DZUMZMOTSA-N	346.814	3.656	50	50	EHGA	
Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)[C@@H](C)Cl)n2c1	1875380763	YYBXGSJEIKVVFQ-GFCCVEGCSA-N	345.805	3.692	50	50	EHGA	
CC(C)(C)C[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccs3)c2C1	5295953	DIRURLNLPDPZTR-ZGXHQARYSA-N	344.484	3.776	50	50	EHGA	
CC(C)c1ccc(/C=C/C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	4992179	YDHUODSCYXCISR-LFYBBSHMSA-N	325.368	3.875	50	50	EHGA	
CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1cccs1	4751317	UIPLHCZBLVEWDY-MRXNPFEDSA-N	340.404	3.893	50	50	EHGA	
O=C(N/N=C/c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)n[nH]1	6813845	NDGXKASEMFVWPF-LPYMAVHISA-N	348.450	3.641	50	50	EHGA	
O=C(CCl)c1cc(F)cc(Br)c1Br	263624735	TUEVLHQRNIUHNL-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
CCOCCSC1=C(C#N)[C@@H](c2cccs2)C(C(C)=O)=C(C)N1	2921907	BTGUMAPVHDLGFQ-INIZCTEOSA-N	348.493	3.803	50	50	EHGA	
CN1[C@H]2CC[C@H]1CC([C@@H](NC(=O)CCl)c1ccc(Cl)cc1)C2	1875378238	XYHKADHMYLAVKL-ZOBUZTSGSA-N	341.282	3.609	50	50	EHGA	
CCOC(=O)c1[nH]c(C)c(C(=O)CCCCCBr)c1C	3109981	ONWQFFACFFUFPH-UHFFFAOYSA-N	344.249	3.946	50	50	EHGA	
CCCCc1ccc(OCC(=O)N/N=C/c2ccc(OC)cc2)cc1	3096837	XPSLDBDQRDXJAI-KGENOOAVSA-N	340.423	3.567	50	50	EHGA	
CCOC(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	60272221	BDBCCQWLFKVQRT-UHFFFAOYSA-N	349.390	3.544	50	50	EHGA	
C[C@H](Cl)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C	1875378253	YFEPBHNFIFULRV-GBIKHYSHSA-N	335.753	3.621	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1	2485573	LHICLUBEEPMXGR-VFZGTOFNSA-N	348.324	3.766	50	50	EHGA	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2cccs2)n[nH]1	8683115	UNRFJVJRIOQOAC-VXLYETTFSA-N	349.419	3.692	50	50	EHGA	
Cc1ccc(S(=O)(=O)N=[S@](=O)(F)c2ccc(Cl)cc2)cc1	1776011423	ZKSTYVIGFNZFRW-HXUWFJFHSA-N	347.820	3.749	50	50	EHGA	
O=C([C@H](F)Cl)N1CC2(CCC2)Oc2ccc(Br)cc21	2325898586	MKVHDBXDJRTFFC-NSHDSACASA-N	348.599	3.632	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1	63013	XKYXFKAQXPAKJO-AWEZNQCLSA-N	334.297	3.520	50	50	EHGA	
O=C(N/N=C/c1ccccc1Br)c1cccc2cc[nH]c12	434866	PLIRCIXCOOLZBU-VXLYETTFSA-N	342.196	3.694	50	50	EHGA	
O=C1c2ccccc2-c2onc3ccc(NCCBr)c1c23	2279632	FZZTYDOYYVFAPR-UHFFFAOYSA-N	343.180	3.846	50	50	EHGA	
C[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1cccc3ccccc13)C2	64548990	XZQMHUGTNOOYFX-GXTWGEPZSA-N	330.387	3.901	50	50	EHGA	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(F)(F)F	4828746	NYTXIKQISBKZOP-UHFFFAOYSA-N	340.261	3.762	50	50	EHGA	
Cc1ccsc1/C=N/NC(=O)CSc1nc2ccccc2s1	144842	HUZJHJFRGFSDMG-LZYBPNLTSA-N	347.490	3.909	50	50	EHGA	
CCOc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	43572	DHFHPYAMOLEBRQ-KRWDZBQOSA-N	338.407	3.536	50	50	EHGA	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(Cl)c1O	5093823	JFTBMVISHDEOOM-GKLIYAQQSA-N	348.830	3.656	50	50	EHGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@]2(CCCO2)[C@@]2(CCCO2)C1=O	169834153	CGOFNONQBVUREP-FHLIZLRMSA-N	340.536	3.838	50	50	EHGA	
CCOc1ccccc1[C@H]1C(C#N)=C(SC)NC2=C1C(=O)CCC2	19882606	VPDDCSCDMFWPHP-KRWDZBQOSA-N	340.448	3.877	50	50	EHGA	
CCOc1ccc2c(c1)[C@H]1/C(=[S+]/C)SS[C@H]1C(C)(C)N2	4531887	SOZKNMLYMOBIJO-CHWSQXEVSA-N	326.532	3.979	50	50	EHGA	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(Cl)c1	299344	DSBWZQJFCMIBIH-UHFFFAOYSA-N	343.597	3.722	50	50	EHGA	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1ccc(Cl)cc1Cl	447629	XXKCGAMQYFWGTA-AWQFTUOYSA-N	349.221	3.765	50	50	EHGA	
CC[C@@H](C(=O)NNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1	17066629	FPOAOODNNFWZDS-QGZVFWFLSA-N	325.412	3.650	50	50	EHGA	
COc1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1	354515	CGBJEQNUKYYWLF-CIAFOILYSA-N	340.423	3.656	50	50	EHGA	
Cc1ccc(-c2[nH]nc3c2[C@H](c2ccoc2)C(C#N)=C(N)O3)cc1C	377784	FTDSHILEEPWHMK-OAHLLOKOSA-N	332.363	3.505	50	50	EHGA	
CCOC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1CCCC2	282965	HAVBFRLGTZXOLM-UHFFFAOYSA-N	336.240	3.546	50	50	EHGA	biogenic
CCOC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCl	44126106	QTMXQROQOPGVAG-SFHVURJKSA-N	345.826	3.558	50	50	EHGA	
C[C@@H](Cl)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	1875364204	JVBVNZGGQRRAOY-SECBINFHSA-N	340.210	3.508	50	50	EHGA	
CCCc1cc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cs1	374876	ZPUVHVQGOHOEMA-UHFFFAOYSA-N	347.509	3.949	50	50	EHGA	
COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccccn3)sc2c1	431980	TYJWPJSDIMFRHS-DJKKODMXSA-N	345.811	3.722	50	50	EHGA	
CCOC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@H](C)C2	2680172	HMPDRSLREMBQDI-VIFPVBQESA-N	329.849	3.617	50	50	EHGA	
C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(Cl)cc1	437715	GQNPTYWQDOYPAR-UDWIEESQSA-N	328.799	3.598	50	50	EHGA	
CC(C)(C)C1CCC(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2O)CC1	12381364	COOBKRPFAJMWPV-YBFXNURJSA-N	347.415	3.603	50	50	EHGA	
C/C(=N\NC(=O)CCn1cnc2ccccc21)c1ccc(Cl)cc1	12682167	OHJBOQQAOKPEFD-FYJGNVAPSA-N	340.814	3.620	50	50	EHGA	
COc1ccc(/C=C/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	2379830	ZGPQETDNYPENIC-LTIZGNAXSA-N	325.389	3.590	50	50	EHGA	
CCCOc1ccc(O[C@@H]2CCCC[C@@H]2NC(=O)CCl)cc1	1320465378	HKMYVQSFFNSHSX-JKSUJKDBSA-N	325.836	3.520	50	50	EHGA	
O=C(Cl)[C@@H](Br)[C@H](Br)c1ccccc1	2172274	BOBCYEPTLFPZKT-SFYZADRCSA-N	326.415	3.652	50	50	EHGA	
COC(=O)c1cc(C)sc1NC(=O)/C(C#N)=C/c1cccc(F)c1	6825570	LTJBIDIQTVKJON-KPKJPENVSA-N	344.367	3.528	50	50	EHGA	
CC[C@H](C(=O)NNC(=O)Nc1ccc(C)c(C)c1)c1ccccc1	17066631	FPOAOODNNFWZDS-KRWDZBQOSA-N	325.412	3.650	50	50	EHGA	
O=C(CCl)c1cc(Br)c(Br)cc1F	263623421	HIMPUTNMFJRERV-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1ccsc1	63007	KAXDTTXSQKCYPO-KDOFPFPSSA-N	348.427	3.957	50	50	EHGA	
CCCCOc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1	1786773	HTLOISDSBBSKKN-UHFFFAOYSA-N	335.407	3.684	50	50	EHGA	
O=C(O)CC/C(=N/NC(=O)Nc1cccc(Cl)c1)c1ccccc1	13533188	FEDTXGXAFMZPML-HKWRFOASSA-N	345.786	3.731	50	50	EHGA	
CCOc1ccccc1[C@@H]1C(C#N)=C(SC)NC2=C1C(=O)CCC2	19882604	VPDDCSCDMFWPHP-QGZVFWFLSA-N	340.448	3.877	50	50	EHGA	
C[C@@H](Cl)C(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1	1875377719	LVWBWRGAKZJATG-SNVBAGLBSA-N	339.848	3.701	50	50	EHGA	
CC(/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1)=C\c1ccccc1	12342810	IWIWMOOCCJKAEY-XBPMTVKWSA-N	330.391	3.896	50	50	EHGA	
BrCc1ccnc(-c2cc(CBr)ccn2)c1	100004130	XCMRHOMYGPXALN-UHFFFAOYSA-N	342.034	3.933	50	50	EHGA	in-vitro
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(C(F)(F)F)cc1	207476	HHRPPUHPGIEHOV-OAHLLOKOSA-N	331.297	3.506	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2)C=C1c1ccccc1	352178	BCWUGRKGIOOXMN-LJQANCHMSA-N	340.361	3.776	50	50	EHGA	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(OC)cc2)cc1	2839138	FVGDRRQLQVOKEU-XSFVSMFZSA-N	326.396	3.638	50	50	EHGA	
N#C/C(=C\c1ccccc1F)c1nn(-c2ccccc2)c(N)c1C#N	4578275	WDMOHQDEGKYVHD-GXDHUFHOSA-N	329.338	3.529	50	50	EHGA	
Cc1ccc(NC(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	5751803	ZYZPAOOWBWMOOC-UHFFFAOYSA-N	341.455	3.754	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)[nH]n2)s1	9012019	GNQQSJPHKWEQTQ-KEBDBYFISA-N	349.419	3.692	50	50	EHGA	
O=C(COc1c(Cl)cc(Cl)cc1Cl)N/N=C/c1ccc[nH]1	84740703	NVEDPFICKAIHKD-NGYBGAFCSA-N	346.601	3.504	50	50	EHGA	in-vitro
Cc1nn(-c2ccccc2)c2c1C(=O)[C@@H](Br)C(C)(C)C2	78297	NNZBZRNWLXMMSY-OAHLLOKOSA-N	333.229	3.709	50	50	EHGA	
O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1	2451492	RTLFLRHOQRCXJM-DARJFKRNSA-N	329.197	3.838	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)s1)[C@@H]1C[C@@H]1c1ccccc1	4188267	SLIUMZSDDBCJIL-SSTXIFODSA-N	349.253	3.764	50	50	EHGA	
O=C(CSc1ccc2ccccc2n1)N/N=C/c1cccc(F)c1	12360347	RVSXRDLSUJQYDH-RGVLZGJSSA-N	339.395	3.616	50	50	EHGA	
C[C@]12CC(=O)[C@@]3(CCCCC[C@@]3(C(=O)O)C[C@H]1Br)C2	71785829	BSKDFSQWGGQEHF-QPKOPYBWSA-N	329.234	3.544	50	50	EHGA	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)[nH]n2)c1	8837864	LDBITJSLTBLSCC-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
Cc1cc(C)cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)c1	799750682	CJZUDWIBAHGNBC-UHFFFAOYSA-N	333.313	3.951	50	50	EHGA	
CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1	3110131	RCOACFKETLDDGK-WANZOYLWSA-N	348.446	3.774	50	50	EHGA	
COc1ccc(/C(C)=N/NC(=O)c2cccc(Cl)c2)c(OC)c1	12343217	XSRALTJPQQXFDN-YBFXNURJSA-N	332.787	3.511	50	50	EHGA	
O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@@H]1c1ccccc1	55072151	AGBFFRHYADLRCV-NHCUHLMSSA-N	347.462	3.558	50	50	EHGA	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cccn3C)sc2c1	434774	WUIYBYNMOJFGNB-GIJQJNRQSA-N	331.828	3.966	50	50	EHGA	
O=C1[C@H]2CC=CC[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	100141684	JHRWWRDRBPCWTF-OLQVQODUSA-N	349.066	3.521	50	50	EHGA	endogenous,in-man
O=C(O)[C@H](Br)CC[C@H](Br)c1ccccc1	331996	JRXRLEVWMKFIAG-VHSXEESVSA-N	336.023	3.751	50	50	EHGA	
Cc1ccc(NC(=O)NNC(=O)c2csc3ccccc23)cc1	999872	CMOAVARVJVSREA-UHFFFAOYSA-N	325.393	3.676	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1	44177	DQBCUDBHHDKMAO-XDHOZWIPSA-N	335.319	3.619	50	50	EHGA	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1	565807	QJWICUBVIWALQJ-PXLXIMEGSA-N	330.387	3.883	50	50	EHGA	
Cc1ccc(NC(=O)NNC(=O)c2csc3c2CC[C@H](C)C3)cc1	17071704	XSFFEBLAWFEOKH-LBPRGKRZSA-N	343.452	3.648	50	50	EHGA	
Cc1cc(C)cc(NC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1	17072371	XMMDQIFHNVOPIS-UHFFFAOYSA-N	348.406	3.561	50	50	EHGA	
COc1cc(C=C(C#N)C#N)ccc1OCc1cnc(Cl)s1	1399361	IKQWLFGDKOVVML-UHFFFAOYSA-N	331.784	3.815	50	50	EHGA	
Cc1ccc(SCc2[nH]nc3c2[C@@H](C(C)C)C(C#N)=C(N)O3)cc1	4167676	MMNGIZQBYVHSDD-HNNXBMFYSA-N	340.452	3.836	50	50	EHGA	
C/C(=N\NC(=O)Cc1ccccc1)c1ccc(Br)cc1	4956981	VGDRYCPWILJJCH-LDADJPATSA-N	331.213	3.532	50	50	EHGA	
CCCCc1ccc([C@@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)s1	2187905	AMTFQRIHGPQGJY-INIZCTEOSA-N	346.452	3.735	50	50	EHGA	
Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccc(Cl)cc1	9329648	MRRVDSPTPFBASN-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
CC(=O)N1c2ccccc2CCc2ccc(NC(=O)CCl)cc21	22341313	IFHVRTUJPUVHPO-UHFFFAOYSA-N	328.799	3.647	50	50	EHGA	
Cc1cc(C)c2c3c(sc2n1)[C@@]1(CCS[C@H]1C)C(C#N)=C(N)O3	1445911	LOWNOVUONDCCAL-DYZYQPBXSA-N	343.477	3.763	50	50	EHGA	
O=C(CCCC[C@@H]1CCSS1)NCCc1ccc(O)cc1	263585514	JNZXIYDSQALOJD-OAHLLOKOSA-N	325.499	3.765	50	50	EHGA	biogenic
CC(/C=N/NC(=O)c1n[nH]c2c1CCc1ccccc1-2)=C\c1ccco1	5620593	BDDURCABPFEFDI-QLCGXXCYSA-N	346.390	3.587	50	50	EHGA	
CCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1	5060590	GMPPJLSQVCWXQM-XMHGGMMESA-N	346.431	3.616	50	50	EHGA	
Cc1cc(C)c2c(-n3cccc3)c(C(=O)NCCCl)sc2n1	4575128	DMZUKHRTERXHHX-UHFFFAOYSA-N	333.844	3.672	50	50	EHGA	
O=C(CCl)c1c(Br)cc(F)cc1Br	263624035	MWKFPVZPCRQEMY-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
C/C=C1\C[N@@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14	252441293	NNGQLOSIKGOGJJ-VEEWGTDFSA-O	335.471	3.782	50	50	EHGA	biogenic
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1F)C(C#N)=C(N)O2	49834	OQZBHCNHQOXAOM-SFHVURJKSA-N	346.365	3.538	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1O	204708128	TUJUGHMRJSEITE-ROUUACIJSA-N	335.564	3.891	50	50	EHGA	
C[C@@H](Cl)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2	1875377907	QYLMLOKVMVMKSV-DGCLKSJQSA-N	334.872	3.659	50	50	EHGA	
O=C(CCl)N=c1sccn1Cc1ccc(Cl)cc1Cl	254372552	OYYOBWASUAPCJB-UHFFFAOYSA-N	335.643	3.571	50	50	EHGA	
CC(C)[C@H](NC(=O)[C@H](C)Cl)[C@H](O)c1cccc(C(F)(F)F)c1	1875377911	RBOIWAVYZUQSHL-TVYUQYBPSA-N	337.769	3.507	50	50	EHGA	
NNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12	5948856	UWOZJUDNSLCWBS-UHFFFAOYSA-N	332.190	3.812	50	50	EHGA	
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H](C)Cl	1875364671	PXIOQJMXDDTTDQ-CMPLNLGQSA-N	332.275	3.792	50	50	EHGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccccc2O)cc1	4229692	MONRWKYZPOMHPM-FYJGNVAPSA-N	333.391	3.564	50	50	EHGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	4613336	QXXYDBQLPQQOKN-GFCCVEGCSA-N	328.803	3.579	50	50	EHGA	
N#C/C(=C/c1ccc(Br)cc1)C(=O)Nc1ccc(O)cc1	434720	QCRTXCWHCMCSJS-XFXZXTDPSA-N	343.180	3.700	50	50	EHGA	
C/C(=N\NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccc(OC(C)C)cc1	17071631	CQBOJRJDGKBBFN-BKQORJHRSA-N	343.254	3.898	50	50	EHGA	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cc(Cl)cc(Cl)c1	447623	BSGFYRCXTXZCEC-AWQFTUOYSA-N	349.221	3.765	50	50	EHGA	
C/C(=N/NC(=O)CNc1ccccc1C)c1ccc2c(c1)CCCC2	16671343	RNZWVEZRSGLAMY-KQWNVCNZSA-N	335.451	3.826	50	50	EHGA	
Cc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]	5092764	DVWPVNDUWXLSHA-UGKPKLDESA-N	327.384	3.505	50	50	EHGA	
Cc1ccc(C)c([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	43564	FZOUNTPCWTWXPW-APWZRJJASA-N	328.419	3.897	50	50	EHGA	
O=C(CSc1ccc2ccccc2n1)N/N=C/c1ccc(F)cc1	291367	XFYGWLJJKBRGOB-RGVLZGJSSA-N	339.395	3.616	50	50	EHGA	
C/C(=N/NC(=O)C1[C@@H]2CCCC[C@@H]12)c1ccc(Br)cc1	100299750	KRDBWWMPMKJBMX-AHFBHCKLSA-N	335.245	3.726	50	50	EHGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(F)cc1	102295153	ITTMKOWKQFUSLT-HYARGMPZSA-N	349.450	3.533	50	50	EHGA	
CC(C)(C)OC(=O)N(CCCBr)C(=O)OC(C)(C)C	39092792	SPEFPQDDFBRHTN-UHFFFAOYSA-N	338.242	3.944	50	50	EHGA	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3ccc4ccc(O)cc4c32)cc1	221530764	LBBACSXDCQZRLS-LJQANCHMSA-N	344.370	3.772	50	50	EHGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)[nH]n1	8838077	VAZIDJNDWMWYCN-QGMBQPNBSA-N	339.226	3.778	50	50	EHGA	
O=C(N/N=C/C=C/c1ccccc1)c1n[nH]c2c1CCc1ccccc1-2	6088065	VYBSJYNVNDDSFF-HSRIELGNSA-N	342.402	3.604	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]2CCCC=C12	282923	HGIOQWAJLDHXMX-WBVHZDCISA-N	334.810	3.934	50	50	EHGA	
O=C(O)[C@H](Br)[C@@H](Br)c1ccc(Cl)cc1	1712228	VVMCVHQTBODLRQ-JGVFFNPUSA-N	342.414	3.624	50	50	EHGA	in-vitro
CCCCCCCC(=O)NNC(=O)c1ccc(Br)cc1	2779699	WGENLLJXNAQPNM-UHFFFAOYSA-N	341.249	3.571	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)cc1	510738	ZTAPIUPMBPLYKU-HYARGMPZSA-N	348.402	3.768	50	50	EHGA	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C	441349	NBVPFIPTQDJGQS-LPYMAVHISA-N	332.407	3.561	50	50	EHGA	
Cc1cc(C)c2c3c(sc2n1)[C@]1(CCS[C@H]1C)C(C#N)=C(N)O3	4037638	LOWNOVUONDCCAL-BTDLBPIBSA-N	343.477	3.763	50	50	EHGA	
CC(C)Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1	9111024	OXNOOHIHDAGDQB-UDWIEESQSA-N	336.395	3.632	50	50	EHGA	
CSc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	435476	DJTCRDDQCFFSJU-XDHOZWIPSA-N	336.420	3.563	50	50	EHGA	
COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O	19891298	NRZBLCNGCYRAGN-GOSISDBHSA-N	338.407	3.528	50	50	EHGA	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O	445133	LLPMDACVRMSELS-VDCVXVNISA-N	334.828	3.677	50	50	EHGA	
CC(=O)c1cccc(NC(=O)NNC(=O)c2ccc3ccccc3c2)c1	15924864	YKXOYHWYFLNNFH-UHFFFAOYSA-N	347.374	3.509	50	50	EHGA	
CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1	1092857	CNKHSLKYRMDDNQ-UHFFFAOYSA-N	330.815	3.926	50	50	EHGA	biogenic,in-vitro
O=C(N/N=C/c1c(F)cccc1Cl)c1cc(-c2ccccc2)n[nH]1	5313742	WHDFOKFMTKIYCU-KEBDBYFISA-N	342.761	3.633	50	50	EHGA	
CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@H]2c1cccs1	1430004	JROXUEXJFXLLBU-LBPRGKRZSA-N	346.433	3.513	50	50	EHGA	
O=C(NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl	101820899	LAZRVSMNESJTSW-JBLDHEPKSA-N	348.855	3.752	50	50	EHGA	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1F)C(C#N)=C(N)O2	49833	OQZBHCNHQOXAOM-GOSISDBHSA-N	346.365	3.538	50	50	EHGA	
CCCCc1ccc(OCC(=O)N/N=C/c2cccc(OC)c2)cc1	3174900	RRUJYLOKBFFPIV-KGENOOAVSA-N	340.423	3.567	50	50	EHGA	
CCc1ccccc1NC(=S)NNC(=O)c1ccccc1Cl	13519485	DOIIGBQMOPGION-UHFFFAOYSA-N	333.844	3.534	50	50	EHGA	
COc1ccc(C(=O)N/N=C/c2cccc3ccccc23)cc1OC	2571757	LRBKCYQSMMAVNS-FYJGNVAPSA-N	334.375	3.621	50	50	EHGA	
CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1	14007634	YGJCIUAYCHMPBU-FOCLMDBBSA-N	330.434	3.628	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)c(OCC)c1	372653	MGELVUFZODORNO-VXLYETTFSA-N	346.452	3.926	50	50	EHGA	
Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccoc2)C(C#N)=C(N)O3)cc1C	377785	FTDSHILEEPWHMK-HNNXBMFYSA-N	332.363	3.505	50	50	EHGA	
Cc1ccc(S(=O)(=O)OCCOc2ccc(N=C=S)cc2)cc1	38618794	LILJDLJORCAIDG-UHFFFAOYSA-N	349.433	3.514	50	50	EHGA	
COc1ccc(C/C(=N\NC(=O)OC(C)(C)C)NC2CCCC2)cc1	66323346	MMJNLKANWILPRT-UHFFFAOYSA-N	347.459	3.608	50	50	EHGA	
CC(C)c1cc(C(=O)N/N=C/c2cccn2C)c(O)c(C(C)C)c1	373073	XYTVKUNLYMSXFS-RGVLZGJSSA-N	327.428	3.741	50	50	EHGA	
N#CC1=C(SCc2ccccc2)NC(=O)[C@H](C#N)C12CCCCC2	9042817	PDHWWQMYBJCWCC-HNNXBMFYSA-N	337.448	3.875	50	50	EHGA	
CC[C@@H]1CCC/C1=N\NC(=O)C(O)(c1ccccc1)c1ccccc1	4832340	WYISITGEHZROAO-UFIXSJTLSA-N	336.435	3.605	50	50	EHGA	
O=P(NCCOc1ccccc1)(c1ccccc1)c1ccccc1	2759557	IKKOFMZRMIELAP-UHFFFAOYSA-N	337.359	3.584	50	50	EHGA	
O=C(N/N=C\c1cn[nH]c1-c1ccc(Cl)cc1)c1cccs1	17067911	QLSRZHMGBDGGPF-NVMNQCDNSA-N	330.800	3.556	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@@H]2CCCC=C12	58731	HICFGKDBWVSVBZ-CXAGYDPISA-N	334.810	3.934	50	50	EHGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1c[nH]c2ccccc12	433495	XUMNQCFMVXFUHQ-WSDLNYQXSA-N	329.359	3.791	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccccc1F	94320	XUHSVJGIBFLLTJ-LJQANCHMSA-N	337.398	3.890	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(C(F)(F)F)c1	292739	GPSVOIMROLVWKL-HNNXBMFYSA-N	332.281	3.629	50	50	EHGA	biogenic,in-vitro
Cc1ccc(/C=N\NC(=O)[C@H]2Cc3c(ccc4ccccc34)O2)cc1	29763734	BWHCVYXLVQGFNU-ZWAQGKOVSA-N	330.387	3.602	50	50	EHGA	
C=CCOc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1	2102823	RHJWDTKJOFPSFG-DEDYPNTBSA-N	328.799	3.598	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1	242194	LHICLUBEEPMXGR-RFAUZJTJSA-N	348.324	3.766	50	50	EHGA	
C#CCOc1ccc(C(=O)c2ccc(CBr)cc2)cc1	584606519	WZAMAERFZALJSY-UHFFFAOYSA-N	329.193	3.825	50	50	EHGA	
N#CC1=C(N)N(c2ccccc2)c2cc(O)ccc2[C@@H]1c1ccncc1	1423149	SJPOAVPJNVTUJZ-FQEVSTJZSA-N	340.386	3.765	50	50	EHGA	
O=C(COc1ccccc1)NNc1c2ccccc2nc2ccccc12	3953490	HQOIOCGVQBGENM-UHFFFAOYSA-N	343.386	3.910	50	50	EHGA	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@@H]2C1	39325034	NBOFPVQICDKUMJ-DWQUBVKVSA-N	332.382	3.665	50	50	EHGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccc(F)c1	186691	ZQYAIKXXTCZBID-GIJQJNRQSA-N	345.424	3.678	50	50	EHGA	
CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1	1230047	RCOACFKETLDDGK-UXCKKACVSA-N	348.446	3.774	50	50	EHGA	
Cc1ccc(C(=O)NNc2nc3ccccc3nc2C(F)(F)F)cc1	5413418	BVCZGXVSOJTABW-UHFFFAOYSA-N	346.312	3.714	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccc(CO)c(F)n2)C1	169794015	JQQKGDLNCOVUEI-ZDUSSCGKSA-N	340.515	3.561	50	50	EHGA	in-vitro
Cc1cc([N+](=O)[O-])ccc1OC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	2156248	YALRKMJNEMOYDB-UHFFFAOYSA-N	331.284	3.731	50	50	EHGA	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)[C@@H](O)c1ccccc1	5005142	QLBQCZCYDFGNJX-QCBCRBAMSA-N	346.386	3.663	50	50	EHGA	
O=C(CCl)N[C@H](Cc1ccccc1)c1nc2ccccc2s1	1875377685	KVQJCDYTLNKVAG-CQSZACIVSA-N	330.840	3.935	50	50	EHGA	
CC(/C=N/NC(=O)[C@@H](C)Cn1cnc2ccccc21)=C\c1ccccc1	4148579	BCKWHHDZBSIVAP-RVIRRBTLSA-N	346.434	3.878	50	50	EHGA	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)s1	17067004	BYKLGOIQUVAUNE-PKNBQFBNSA-N	327.365	3.764	50	50	EHGA	
COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCl)cc1	3885243	YJDRECSFQDETIE-QGZVFWFLSA-N	328.799	3.612	50	50	EHGA	
COc1ccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)cc1	3162098	MESXWSKERNUZFY-CIAFOILYSA-N	340.423	3.656	50	50	EHGA	
CCC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(C)s2)cc1	370981	FVWUEHALPKFUBT-XDHOZWIPSA-N	329.425	3.559	50	50	EHGA	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccncc1	5595548	STQSSAWEDKOWRS-HZHRSRAPSA-N	342.402	3.730	50	50	EHGA	
COc1cc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-]	222054269	NXSOAVPWRYYNHJ-JYRVWZFOSA-N	325.280	3.576	50	50	EHGA	
CCSc1oc(C)cc1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	2751910	OBJIQHCYCNFQEV-AWEZNQCLSA-N	330.409	3.515	50	50	EHGA	
N#CC1=C(N)N(c2ccccc2)c2cc(O)ccc2[C@H]1c1cccnc1	4623178	OWRMYJOWAAEOPU-HXUWFJFHSA-N	340.386	3.765	50	50	EHGA	
CCOc1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	250993	PFDYQCJQUAOMTP-FYJGNVAPSA-N	334.375	3.708	50	50	EHGA	
O=C(N/N=C1/C(=O)c2ccccc2-c2ccccc21)c1ccccc1	205599757	YZHCQNFBUGSVIX-ZBJSNUHESA-N	326.355	3.684	50	50	EHGA	
N#C/C(=C/c1c(O)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	31965	RURZBAUKZPFGQX-KAMYIIQDSA-N	330.343	3.797	50	50	EHGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c(C)c1	377756	CQTBHKURQZNVAV-QGZVFWFLSA-N	342.402	3.912	50	50	EHGA	
O=C(NNC(=S)Nc1ccccc1Cl)c1ccccc1Cl	2160721	CTVLHSWKOUWAOE-UHFFFAOYSA-N	340.235	3.625	50	50	EHGA	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1c[nH]c2ccccc12	290376	RUMGAFDJZMHIIS-WSDLNYQXSA-N	344.374	3.895	50	50	EHGA	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3)[nH]n2)cc1	18144110	KPELCPDXNUGKQZ-KGENOOAVSA-N	348.406	3.629	50	50	EHGA	
O=C(NNc1ccccc1OC(F)(F)F)c1cc(O)ccc1Cl	811221199	GEWGCVSQSBIOEJ-UHFFFAOYSA-N	346.692	3.701	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c(F)cccc1Cl	87715	VCOMPRQQQKDYJT-CQSZACIVSA-N	346.789	3.930	50	50	EHGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1	441968	FLJFIIBENJRPPR-FMIVXFBMSA-N	326.308	3.633	50	50	EHGA	
Cc1nn(-c2ccccc2)c2c1C(=O)[C@H](Br)C(C)(C)C2	78292	NNZBZRNWLXMMSY-HNNXBMFYSA-N	333.229	3.709	50	50	EHGA	
O=C(F)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	95681724	BCLQALQSEBVVAD-REOHCLBHSA-N	332.040	3.518	50	50	EHGA	
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	4747859	IAPXKBCISGWPID-PTNGSMBKSA-N	329.359	3.648	50	50	EHGA	
CCSc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)o1	618537	OUBXRIAGHJQRGO-OAHLLOKOSA-N	330.409	3.515	50	50	EHGA	
C[C@@H](CO)NCc1cnc([C@H](C)O[Si](C)(C)C(C)(C)C)s1	225660926	NGWAIVIJNMNXNM-RYUDHWBXSA-N	330.570	3.696	50	50	EHGA	
COc1ccc(OC)c(/C=N/NC(=O)c2csc3ccccc23)c1	355879	WAIWUWXDMJXWKI-VXLYETTFSA-N	340.404	3.682	50	50	EHGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2ccccc2)n(-c2ccccc2)n1	244165	FZJIMWURUNTXHM-PXLXIMEGSA-N	346.434	3.934	50	50	EHGA	
CCc1nnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	408524574	VTQQNQHXNWUYRO-CYBMUJFWSA-N	325.529	3.618	50	50	EHGA	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@H]1c1cccc([N+](=O)[O-])c1	333661	PYIXQVYMJDILFL-SFHVURJKSA-N	343.342	3.966	50	50	EHGA	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(Cl)c1O	5093828	JFTBMVISHDEOOM-PKNJFHROSA-N	348.830	3.656	50	50	EHGA	
Cc1ccc(NC(=S)NNC(=O)Nc2ccc(Cl)cc2)cc1	358025	JLRHYIUALGZJOP-UHFFFAOYSA-N	334.832	3.672	50	50	EHGA	
O=C(CBr)c1cc(F)c(Cl)c(Br)c1	263624888	UXDQZWDUSUHJMY-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cccc(O)c1	3580440	NZNXWFXUGFQKDQ-KGENOOAVSA-N	332.359	3.948	50	50	EHGA	
Cc1cc(O[C@@H](C)C(=O)N/N=C/c2ccccc2C)ccc1Cl	370745	FQZWWWAAVTUHLX-HXJASHHUSA-N	330.815	3.874	50	50	EHGA	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccc(Cl)cc1	5125950	NWIKZTKVLDDMQG-HNNXBMFYSA-N	348.793	3.948	50	50	EHGA	
CN1[C@H]2CC[C@H]1CC([C@H](NC(=O)CCl)c1ccc(Cl)cc1)C2	1875378237	XYHKADHMYLAVKL-YQQAZPJKSA-N	341.282	3.609	50	50	EHGA	
C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	13950241	CRLFUNHQHZULEQ-DEDYPNTBSA-N	333.347	3.902	50	50	EHGA	
CC1=C(C#N)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	19761916	RBTBAHKDXRDTSV-QGZVFWFLSA-N	337.379	3.722	50	50	EHGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	298965	ZHOYPTKFFVWHAW-UHFFFAOYSA-N	330.815	3.712	50	50	EHGA	
CCOC(=O)C1=C(C)NC(Cl)=C(C=O)[C@H]1c1ccc(Cl)cc1	19925390	WZTLFOBTWDMYHI-CQSZACIVSA-N	340.206	3.513	50	50	EHGA	
CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(Cl)cc1	3023076	TXUUBNOQUVOMNM-BHFKYQIGSA-N	328.799	3.924	50	50	EHGA	
O=C(N/N=C(\c1ccccc1)[C@@H](O)c1ccccc1)c1ccccc1	42784421	OQZHQQZPEZMINH-XXBRTLJISA-N	330.387	3.554	50	50	EHGA	
C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(N=C=S)cc1	19737322	TUEPVZRQWTUJEB-CYBMUJFWSA-N	344.461	3.951	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2ccccc2c1	293386	WDPHEUAANZONJB-BLVKFPJESA-N	330.387	3.901	50	50	EHGA	
O=C1[C@@H]2CC=CC[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	2033142	JHRWWRDRBPCWTF-PHDIDXHHSA-N	349.066	3.521	50	50	EHGA	endogenous,in-man
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C(C)C)cc3)[nH]n2)o1	9088992	IKTFIJXUSIGWES-RGVLZGJSSA-N	336.395	3.865	50	50	EHGA	
COC(=O)c1ccccc1Oc1ccc(NC(=O)CCCl)cc1	6640656	DWYVZNHCAZXNMS-UHFFFAOYSA-N	333.771	3.833	50	50	EHGA	
CN(NC(=O)c1c(Cl)cccc1Cl)c1cccc(Cl)n1	1395804	AQKMIQAXYJVVJW-UHFFFAOYSA-N	330.602	3.823	50	50	EHGA	
O=S1(=O)C[C@H]2[C@H](c3ccccc3)[C@H]([C@@H]1Cl)[C@@H]2c1ccccc1	254445757	TUXHSCPCLFNSMG-UYTYNIKBSA-N	332.852	3.793	50	50	EHGA	
C[C@@H](Cl)C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1	1875363532	IFFQJISCDBHFCC-ABAIWWIYSA-N	335.810	3.897	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccco2)n[nH]1)c1ccc2ccccc2c1	12362460	BNIHIINDYSNKDK-FYJGNVAPSA-N	344.374	3.977	50	50	EHGA	
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccc(-n2ccnc2)cc1	13145373	RWZFNZVDKVFZSH-FYJGNVAPSA-N	338.798	3.680	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1	1875380638	USYVWPGLLRNAIQ-XHDPSFHLSA-N	344.833	3.624	50	50	EHGA	
O=S(=O)(Cc1ccccc1CBr)c1ccccc1	160294	SYNKYJKCQBVGSL-UHFFFAOYSA-N	325.227	3.555	50	50	EHGA	
Cc1ccsc1C(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	371020	JBSYCQXBVSWPOP-UHFFFAOYSA-N	344.223	3.830	50	50	EHGA	
O=C(N/N=C/c1c[nH]nc1-c1ccccc1)c1ccc2ccccc2c1	17071232	CEKMIQDUMBQGHL-OEAKJJBVSA-N	340.386	3.994	50	50	EHGA	
CCOc1ccccc1/C=C(/C#N)S(=O)(=O)c1ccc(C)cc1	31858836	DBPGRSGHOBHSPI-ATVHPVEESA-N	327.405	3.732	50	50	EHGA	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccccc1	4766705	PAXJJBRBOLZJOL-XDHOZWIPSA-N	341.461	3.929	50	50	EHGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(O)cc1	3194778	BOEFVERUHKPCBD-HYARGMPZSA-N	346.386	3.735	50	50	EHGA	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C\c1ccc(Br)cc1	100404468	OHEOKZNCXBDYNE-ABHJDBPPSA-N	335.245	3.726	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2F)[C@@H]2CCCC=C12	19817912	NXLVZIFMMFJTLF-DYVFJYSZSA-N	336.345	3.558	50	50	EHGA	
CC1(C)OB(c2cccc(Cl)c2CBr)OC1(C)C	169956088	HHFMETIHUMNDBF-UHFFFAOYSA-N	331.446	3.534	50	50	EHGA	
CCCOc1ccc(O[C@H]2CCCC[C@H]2NC(=O)CCl)cc1	1320465375	HKMYVQSFFNSHSX-CVEARBPZSA-N	325.836	3.520	50	50	EHGA	
CC1=C(O[Si](C)(C)C)C[C@@H]2C(=O)OC(=O)[C@@H]2[C@H]1c1ccccc1	224783975	FOIUTEJHBPVOOU-IMJJTQAJSA-N	330.456	3.615	50	50	EHGA	
CC1(C)OB(c2ccc(Cl)cc2CBr)OC1(C)C	169746275	SKRIXHSLRIIJGJ-UHFFFAOYSA-N	331.446	3.534	50	50	EHGA	in-vitro
CCCC1=C(C(=O)OCC)[C@H](c2ccccc2Cl)C(C#N)=C(N)O1	71047	JYSHAKAZHYLDBX-OAHLLOKOSA-N	346.814	3.765	50	50	EHGA	
CCCCOc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1	2769077	YDJARPOSGISVPM-UHFFFAOYSA-N	335.407	3.684	50	50	EHGA	
CCOc1ccccc1/C=N/NC(=O)COc1ccc2ccccc2c1	585331	CTUBYROWIWSLFY-HYARGMPZSA-N	348.402	3.768	50	50	EHGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H]1C[C@H]1c1ccccc1	4361404	MOQSZZSTUZVQNG-BVZKRWNYSA-N	330.387	3.799	50	50	EHGA	
Cc1ccc(NCC(=O)N/N=C\c2cccc(Cl)c2Cl)cc1	32606354	GZNVRAXQZJYOQJ-UKWGHVSLSA-N	336.222	3.864	50	50	EHGA	
C[C@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1cccc3ccccc13)C2	64548988	XZQMHUGTNOOYFX-JSGCOSHPSA-N	330.387	3.901	50	50	EHGA	
Cc1cccc(CSCC(=O)NNc2cccc3cnccc23)c1	170684261	CCXJPSOFNYTZLG-UHFFFAOYSA-N	337.448	3.920	50	50	EHGA	
O=C(NNC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl	2142442	VIZGSQRKTURMQU-UHFFFAOYSA-N	339.182	3.852	50	50	EHGA	
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC3=CCCCC3)cc2C1	170622623	AWIYQZSNIWZTJE-GFCCVEGCSA-N	332.469	3.524	50	50	EHGA	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C	441285	HXKCUBYKILGDGM-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
Cc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	5092756	DVWPVNDUWXLSHA-VXSGVAGXSA-N	327.384	3.505	50	50	EHGA	
C/C(=N\NC(=O)c1cccc(Br)c1)c1ccc(C)cc1	5380108	MWTHNXKJTMHIHW-LDADJPATSA-N	331.213	3.912	50	50	EHGA	
CCN(CC)C(=O)Nc1ccc(NC(=O)[C@@H](F)Cl)c(Cl)c1	2325897785	IXDLIFJXKSNYIV-LLVKDONJSA-N	336.194	3.687	50	50	EHGA	
O=C(N/N=C\c1cccc(Cl)c1)c1ccc(Br)cc1	32121703	QQHQODCUFPSKHX-MFOYZWKCSA-N	337.604	3.866	50	50	EHGA	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1cccs1	4550665	SJAUOCUCZZNWBB-LICLKQGHSA-N	347.490	3.990	50	50	EHGA	
O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)c(Cl)c1	124326	YRYRZAMXOLMEDM-QGMBQPNBSA-N	340.235	3.631	50	50	EHGA	
C[C@H](Cl)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C	1875378254	YFEPBHNFIFULRV-KWBADKCTSA-N	335.753	3.621	50	50	EHGA	
C#CCOc1ccc(/C=N/NC(=O)CCCCCCC)cc1OC	3132056	NCUHEHMHCHRRQQ-HMMYKYKNSA-N	330.428	3.518	50	50	EHGA	
O=C(CCl)Nc1ccc(-c2ccc(NC(=O)CCl)cc2)cc1	3151913	NCTYKYTWYJEFJW-UHFFFAOYSA-N	337.206	3.708	50	50	EHGA	
O=C(N/N=C1\CCCc2[nH]c3ccc(F)cc3c21)c1ccccc1F	222074048	MQBKCWNTDYQCRI-HAVVHWLPSA-N	339.345	3.917	50	50	EHGA	
CC(/C=N/NC(=O)[C@@H](C)Oc1ccc(C#N)cc1)=C\c1ccccc1	4647121	CFVAODYKGOXNOC-SHNQFLHJSA-N	333.391	3.531	50	50	EHGA	
CCc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1	15933747	CDRWQTJNYCAGEZ-UHFFFAOYSA-N	349.390	3.574	50	50	EHGA	
O=C(N/N=C/c1ccco1)c1ccc(N2Cc3ccccc3C2)cc1	439484	FPZVNHIKFIFYQA-CIAFOILYSA-N	331.375	3.564	50	50	EHGA	
CC(/C=N/NC(=O)c1cc(-c2cccs2)[nH]n1)=C\c1ccccc1	5828961	BAGCMQKEVVNKDU-STHKOIKCSA-N	336.420	3.957	50	50	EHGA	
Cc1cc(C)cc(Oc2cc(NNC=O)nc(-c3ccccc3)n2)c1	2029029	RTMXNKSZOXVPJM-UHFFFAOYSA-N	334.379	3.626	50	50	EHGA	
C[C@@H](Cl)C(=O)N(Cc1nc(C2CCCCCC2)no1)C1CC1	1875378283	YVBXCCFCHPPHJI-LLVKDONJSA-N	325.840	3.626	50	50	EHGA	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1cccc(F)c1	12393079	QSHZGVOYBPHSNS-MLPAPPSSSA-N	328.299	3.815	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccccc1C(F)(F)F	207806	KKTHLVBGOQGAJF-HNNXBMFYSA-N	332.281	3.629	50	50	EHGA	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c1	441318	RZFDKGFKRSWXRX-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc2cc(Cl)ccc2oc1=O	615862	GPEGSBFFLPVUQR-UHFFFAOYSA-N	345.694	3.574	50	50	EHGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/C=C/c1ccccc1	12364842	SOLVXYAPJUZBAG-RUNRDNEBSA-N	328.799	3.923	50	50	EHGA	
COc1ccccc1/C=C/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1	4135600	WJLDYPJEPWZLSU-DXGHLENMSA-N	346.390	3.514	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@H]2CCCC=C12	282929	HGIOQWAJLDHXMX-DOTOQJQBSA-N	334.810	3.934	50	50	EHGA	
O=C(NNC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1	2143201	YXEULDLHPGRCEJ-UHFFFAOYSA-N	339.182	3.852	50	50	EHGA	
O=C(CBr)c1cc(Br)c(F)cc1Cl	263623781	KRBGBKYBEUDBEU-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O	19770138	MJBYUZYXTBQSST-INIZCTEOSA-N	344.798	3.546	50	50	EHGA	
CC(C)(C)OC(=O)n1nc(CBr)c2ccc(F)cc21	39027731	ONVPTCZPLVIMLP-UHFFFAOYSA-N	329.169	3.854	50	50	EHGA	
C[C@H](C(=O)N1CCC2(CC1)C[C@@H]2Br)c1cccs1	1775999122	OHQCQUHRZQQDHL-JQWIXIFHSA-N	328.275	3.628	50	50	EHGA	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(Cl)c1O	450741	JFTBMVISHDEOOM-MYJSTESFSA-N	348.830	3.656	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2ccc(F)cc2)n[nH]1	232716	KRPWOZYYMGYUEP-KEBDBYFISA-N	342.761	3.633	50	50	EHGA	
O=C(C(Br)Br)C12CC3CC(CC(C3)C1)C2	124703	XDJXVMSXFQUDGZ-UHFFFAOYSA-N	336.067	3.888	50	50	EHGA	
O=C(NNC(=S)Nc1ccccc1)c1ccc(Cl)cc1Cl	122475	PXWIEFCWWVDFBP-UHFFFAOYSA-N	340.235	3.625	50	50	EHGA	
CCCOc1ccc(/C=C(/C#N)c2nc3ccccc3c(=O)[nH]2)cc1	16736642	SBVDUGLWDWNCQF-QINSGFPZSA-N	331.375	3.776	50	50	EHGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1	59253	YKSUGLLEPLOZFO-IBGZPJMESA-N	346.386	3.608	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1	1875363535	IFFQJISCDBHFCC-XHDPSFHLSA-N	335.810	3.897	50	50	EHGA	
O=C(CBr)c1cc(Cl)c(F)c(Br)c1	263624448	QONJMTQQIVJUHG-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccc(C=O)c(F)n2)C1	169794144	CFPRUZQZFKQVDQ-ZDUSSCGKSA-N	338.499	3.881	50	50	EHGA	in-vitro
C[C@@H](NC(=O)c1ccccc1NC(=O)CCCl)c1ccc(F)cc1	5675150	RSVQCDRNUAEOIT-GFCCVEGCSA-N	348.805	3.884	50	50	EHGA	
Cc1ccccc1NCC(=O)N/N=C\c1ccc(Cl)cc1Cl	32603771	GIDWHXOOFZXFME-UKWGHVSLSA-N	336.222	3.864	50	50	EHGA	
CCOc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	43573	DHFHPYAMOLEBRQ-QGZVFWFLSA-N	338.407	3.536	50	50	EHGA	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccco2)n[nH]1	71871	KFZUELJRYIUKBC-UDWIEESQSA-N	330.347	3.587	50	50	EHGA	
COc1cccc(/C=N/NC(=O)COc2cc(C(C)C)ccc2C)c1	4366303	FDERSSXENZPEJS-CIAFOILYSA-N	340.423	3.656	50	50	EHGA	
C[C@@H](NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1	4867102	IILMFQZQDQIKKF-IURRXHLWSA-N	343.471	3.572	50	50	EHGA	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C\c1ccc(Br)cc1	252320708	OHEOKZNCXBDYNE-SPLXDCTISA-N	335.245	3.726	50	50	EHGA	
C[C@@H](CO)NCc1cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s1	225660978	NGWAIVIJNMNXNM-NWDGAFQWSA-N	330.570	3.696	50	50	EHGA	
O=C(COc1cccc(Cl)c1Cl)N/N=C/c1ccc(F)cc1	2521757	YPYLAGWALPYGAS-UFWORHAWSA-N	341.169	3.662	50	50	EHGA	
CCc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)s1	43750	FMGDFCAZRVUINE-HNNXBMFYSA-N	328.437	3.761	50	50	EHGA	
CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@H](C)C2	3269791	MGZCOZQRUHDERD-IUCAKERBSA-N	329.849	3.615	50	50	EHGA	
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CCl	2584862	CGQBNNFYYWPXPR-UHFFFAOYSA-N	327.764	3.518	50	50	EHGA	
C/C(=N\NC(=O)c1ccc2[nH]cnc2c1)c1ccc2ccccc2c1	28351903	PVGXHVVJEFYXEV-YDZHTSKRSA-N	328.375	3.870	50	50	EHGA	
COc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1[N+](=O)[O-]	16348341	QGCQODLBBKBMIA-JYRVWZFOSA-N	334.335	3.852	50	50	EHGA	
CCSc1oc(C)cc1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CCC2	2751911	OBJIQHCYCNFQEV-CQSZACIVSA-N	330.409	3.515	50	50	EHGA	
C/C(=N\NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])cc1	4948632	VAEUHIPSRPBLIW-UDWIEESQSA-N	341.411	3.651	50	50	EHGA	
CN1c2ccccc2[C@H](Cl)c2ccc(Cl)cc2S1(=O)=O	21298818	FHICZIHQHGRZLE-AWEZNQCLSA-N	328.220	3.807	50	50	EHGA	in-vitro
O=C(N/N=C\c1c(O)ccc2ccccc12)c1cccc2cc[nH]c12	55421234	UEDMXNWLRPBWOM-UUYOSTAYSA-N	329.359	3.791	50	50	EHGA	
CC(C)n1c([C@@H]2CCCN(C(=O)[C@H](C)Cl)C2)nc2ccccc21	1875363872	CCPSSJMETDLPJK-UONOGXRCSA-N	333.863	3.951	50	50	EHGA	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccccc1Cl	5125955	ABOWQVMMBBKVKF-OAHLLOKOSA-N	348.793	3.948	50	50	EHGA	
O=C(Cl)[C@H](Br)[C@H](Br)c1ccccc1	2172277	BOBCYEPTLFPZKT-HTQZYQBOSA-N	326.415	3.652	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1	63014	XKYXFKAQXPAKJO-CQSZACIVSA-N	334.297	3.520	50	50	EHGA	
CCCOc1ccc(O[C@H]2CCCC[C@@H]2NC(=O)CCl)cc1	1320465376	HKMYVQSFFNSHSX-HOTGVXAUSA-N	325.836	3.520	50	50	EHGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1	65408	LYALTMIHKJTIRG-CAOOACKPSA-N	338.150	3.666	50	50	EHGA	
O=C(N/N=C/c1ccccc1O)c1ccccc1Nc1ccccc1	448182	ZRKBMJAESBMPAJ-KGENOOAVSA-N	331.375	3.900	50	50	EHGA	
CCCCc1ccc(OCC(=O)N/N=C/c2ccccc2OC)cc1	4372836	MCWRKXZBINRMKW-KGENOOAVSA-N	340.423	3.567	50	50	EHGA	
Cc1occc1C(=O)N/N=C/C(Br)=C/c1ccccc1	251154	JLHFRTYOQNRVGP-HTJMLESZSA-N	333.185	3.740	50	50	EHGA	
CC(C)(C)C1CCC(=NNC(=O)COc2ccc([N+](=O)[O-])cc2)CC1	4372713	GZJFMKHFMHIXHD-UHFFFAOYSA-N	347.415	3.682	50	50	EHGA	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)CC(C)C)c2Cl)cc1	6788637	GXARTYKNRNEZAW-VXLYETTFSA-N	332.835	3.639	50	50	EHGA	
O=C(CBr)c1cc(Br)cc(F)c1Cl	263625282	YINYCSLTQJGRAX-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
Cc1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1Cl	6788786	UVGYXQBWGDGTJC-UHFFFAOYSA-N	347.871	3.599	50	50	EHGA	
CCOc1ccccc1/C=N/NC(=O)COc1cccc2ccccc12	510710	OWEDVIFQQDUUSB-HYARGMPZSA-N	348.402	3.768	50	50	EHGA	
Cc1cccc(C(=O)NNC(=O)Nc2ccc(Cl)c(Cl)c2)c1	3071125	WMMSCTYOBVWQIY-UHFFFAOYSA-N	338.194	3.768	50	50	EHGA	
CCN(CC)C[P@](=O)(NO[Si](C)(C)C)O[Si](C)(C)C	198088643	HWPJIGACLIMZLS-QGZVFWFLSA-N	326.526	3.686	50	50	EHGA	
CCc1ccc(/C(C)=N/NC(=O)c2ccc(Br)o2)cc1	436848	UUODDBNKQOSDNJ-LICLKQGHSA-N	335.201	3.759	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1c(Cl)cccc1Cl	196782	SQNVSKVIMSIOLL-AWEZNQCLSA-N	332.190	3.794	50	50	EHGA	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1cccnc1	1888318	OOVGAPCBRYSNJD-HZHRSRAPSA-N	342.402	3.730	50	50	EHGA	
CN(C)C(C/C=N/OCc1ccc(Cl)cc1Cl)=C(C#N)C#N	4091026	VMFGTIOKDNCCDS-CGOBSMCZSA-N	337.210	3.749	50	50	EHGA	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2ccc(F)cc2)n[nH]1	4981982	IEWNTMZTGWCDGD-HJETYCPDSA-N	334.354	3.645	50	50	EHGA	
CN(NC(=O)Nc1ccc(Cl)cc1)c1c(Cl)c(Cl)nn1C	1390831	VTSPZHIGTSPYEH-UHFFFAOYSA-N	348.621	3.553	50	50	EHGA	
COC(=O)CCC(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1	2173724	QVIUKPSKWINFME-UHFFFAOYSA-N	326.396	3.617	50	50	EHGA	
CN(C)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	59474155	GLJPNKPBJUJJRV-UHFFFAOYSA-N	348.450	3.932	50	50	EHGA	in-vitro
CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc(C#N)c(F)n2)C1	169794016	AWORSJZNQVJMQP-CYBMUJFWSA-N	335.499	3.940	50	50	EHGA	in-vitro
CC(C)(C)c1ccc(C(=O)NNC(=S)Nc2ccccc2)cc1	115179	QSNVIWCZBYUWFG-UHFFFAOYSA-N	327.453	3.616	50	50	EHGA	
CCc1c(C(=O)NNC(=S)Nc2cc(C)ccc2C)csc1C	374607	XGTNIHYASMMYRI-UHFFFAOYSA-N	347.509	3.867	50	50	EHGA	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1	15636048	QHVFCLSKZSLMHR-IUXPMGMMSA-N	338.150	3.666	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1	6813099	URRHNEDWSRJKRH-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
O=C(N/N=C1\CCCc2ccccc21)c1cccc(Br)c1	100053506	ARWVDDQKJOWTCP-KNTRCKAVSA-N	343.224	3.920	50	50	EHGA	
C=CCOc1cccc(/C(C)=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)c1	17071339	JWBYWXHPJVEAKV-SKCQWOFPSA-N	341.238	3.676	50	50	EHGA	
CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C	2040093	HDWLUGYOLUHEMN-SECBINFHSA-N	326.305	3.940	50	50	EHGA	in-vitro
CCOC(=O)c1sc(NC(=O)c2ccco2)c(SC#N)c1C	4088272	QBVIRPJBDIZKBC-UHFFFAOYSA-N	336.394	3.652	50	50	EHGA	in-vitro
CCCCSC1=C(C#N)[C@H](c2cccnc2)C(C(C)=O)=C(C)N1	22034626	VJPVTKFCFBZHFP-KRWDZBQOSA-N	327.453	3.900	50	50	EHGA	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)cc1Cl	2562098	GRPCVYYAXVOIPO-OQLLNIDSSA-N	347.823	3.995	50	50	EHGA	
CC(C)Oc1ccccc1/C=C(\C#N)S(=O)(=O)c1ccccc1	621330	BARHPRHTJJOLQE-SFQUDFHCSA-N	327.405	3.812	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1	3162096	VYBIPGSZBCOHNV-DZUMZMOTSA-N	346.814	3.656	50	50	EHGA	
CCCc1n[nH]c2c1[C@@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	458920	YBFNZAAKZDUGFT-GFCCVEGCSA-N	349.221	3.887	50	50	EHGA	
CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@@H]2C1	4453553	ISOIGZZSWATPCY-SUYBPPKGSA-N	334.448	3.978	50	50	EHGA	
O=C(N/N=C\C=C\c1ccccc1)c1ccc(Br)cc1	12730647	UPRTYQPYNUEAMW-AJQFYOASSA-N	329.197	3.878	50	50	EHGA	
CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@@H]2C1	13479773	ISOIGZZSWATPCY-MRRJBJDNSA-N	334.448	3.978	50	50	EHGA	
COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2ccc(C)s2)c1	17067258	JGGZTHAUHQRYBG-XYOKQWHBSA-N	328.393	3.619	50	50	EHGA	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C1[C@H]2CCCC[C@H]12	100311385	VLEVRRXRGIYNHJ-MLKAZLHWSA-N	327.211	3.585	50	50	EHGA	
O=C(CCl)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1	134131	XNEAHSUQJDXQLT-UHFFFAOYSA-N	334.750	3.930	50	50	EHGA	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NCc1cccnc1	289104	ISDOJTNLDFAIAG-AWNIVKPZSA-N	332.190	3.612	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)c(F)c2)[C@H]2CCCC=C12	377261	CPAXASKJCOURIU-GUYCJALGSA-N	336.345	3.558	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2ccc(F)cc2F)c(C(F)(F)F)c1	799746000	SHRGRCNEUPBYCU-UHFFFAOYSA-N	341.239	3.612	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCC[C@H]1[C@H]1CCCN(Cc2ccccc2)C1	1875363615	MTOVCKVJLOUBDA-SZMVWBNQSA-N	334.891	3.517	50	50	EHGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	4723614	GOPSQXHQLQNZJB-YRNVUSSQSA-N	345.738	3.768	50	50	EHGA	
O=C(N/N=C/c1ccco1)[C@@H]1CC1(c1ccccc1)c1ccccc1	47489	QFKVHBBXWLVKKI-OMNSNBSWSA-N	330.387	3.736	50	50	EHGA	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1	448678	QAMXGFXCUHYYMX-OEAKJJBVSA-N	346.434	3.815	50	50	EHGA	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc([N+](=O)[O-])s1	435868	RKCHBTVIZOJMCJ-WOJGMQOQSA-N	339.376	3.502	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12	242275	CZVMJFYMTMAJEL-HXPMCKFVSA-N	330.387	3.901	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(CC)cc2)C(C#N)=C(N)O1	293275	ZJGQCLZQBYKUBD-KRWDZBQOSA-N	340.423	3.674	50	50	EHGA	
O=C(Cc1ccccc1)NNC(=O)c1sc2ccccc2c1Cl	33326	HDBDGCCHJMXREE-UHFFFAOYSA-N	344.823	3.558	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	9271398	ZZADPVDMYFCWQL-FYJGNVAPSA-N	332.407	3.964	50	50	EHGA	
O=C(O)[C@H](Br)CC[C@@H](Br)c1ccccc1	331995	JRXRLEVWMKFIAG-NXEZZACHSA-N	336.023	3.751	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1	3162094	VYBIPGSZBCOHNV-HMHKGCENSA-N	346.814	3.656	50	50	EHGA	
COc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1C	126375	HNLLBCPDETUXDD-VCHYOVAHSA-N	347.212	3.530	50	50	EHGA	
COc1ccc(/C(C)=N\NC(=O)c2cccc(Br)c2)cc1	12342901	GSAMAOKZXCXZEN-WQRHYEAKSA-N	347.212	3.612	50	50	EHGA	
BrC[C@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1	23114689	RAQYEXHPTBHSOY-GWOVLTETSA-N	330.291	3.838	50	50	EHGA	
N[C@H]1CCCc2cccc(P(c3ccccc3)c3ccccc3)c21	100005910	KTWOFTBMHDQUEE-FQEVSTJZSA-N	331.399	3.781	50	50	EHGA	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc(Cl)cc1	148332	CQFXHJDOCRJNKT-OQLLNIDSSA-N	348.767	3.587	50	50	EHGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1ccccc1Cl)C(C#N)=C(N)O2	5095385	KTAQYVDIUNPJLW-LBPRGKRZSA-N	328.803	3.579	50	50	EHGA	
C#CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	16319629	SUHSMHMUVUILGK-WJDWOHSUSA-N	334.331	3.680	50	50	EHGA	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](C(=O)O)c1ccccc1	269085109	LSEZHTXSIOXYSY-UKRRQHHQSA-N	339.482	3.643	50	50	EHGA	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(N)=O	5589430	CYOSIJMFDBIROA-ZROIWOOFSA-N	335.794	3.735	50	50	EHGA	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)ccc1O	446185	IZGTVDASFKDOQW-MDWZMJQESA-N	342.782	3.908	50	50	EHGA	
C[C@@H](CO)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100470144	NZJYHCOZZGZOLX-IBGZPJMESA-N	335.407	3.609	50	50	EHGA	
CC(C)(C)OC(=O)N1C(=O)[C@@H]2C[C@@H]2[C@H]1CO[Si](C)(C)C(C)(C)C	169996983	YSYBLOHEQJEDNI-YNEHKIRRSA-N	341.524	3.790	50	50	EHGA	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)[C@@H]1[C@H]2CCCC[C@H]21	252320825	VLEVRRXRGIYNHJ-QASYGRJISA-N	327.211	3.585	50	50	EHGA	
O=C(N/N=C\C=C\c1ccccc1)c1cccc(Br)c1	13110881	LWWAKCSHQRUUFN-ZMCAKAGVSA-N	329.197	3.878	50	50	EHGA	
CC1=C(O[Si](C)(C)C)C[C@@H]2C(=O)OC(=O)[C@H]2[C@H]1c1ccccc1	224783936	FOIUTEJHBPVOOU-NUEKZKHPSA-N	330.456	3.615	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)COc2ccc3ccccc3c2)cc1	349057	IENXEPCVAHIRIR-HYARGMPZSA-N	348.402	3.768	50	50	EHGA	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1	15220073	JRGWPOMMWSHUAH-SSZFMOIBSA-N	335.407	3.784	50	50	EHGA	
Cc1ccc(S(=O)(=O)OC[C@@H](C)C[C@H](C)Br)cc1	3137296	BETJJGSXOUFMDM-RYUDHWBXSA-N	335.263	3.510	50	50	EHGA	
O=C(N/N=C/c1cccc(Br)c1)C1[C@H]2CCC=CCC[C@H]12	18101750	NOHGYFMKKFOUNA-SKBXWVOQSA-N	347.256	3.892	50	50	EHGA	
O=C(CCC(=O)Nc1cccc2ccccc12)NN=C1CCCCC1	5739898	HCVSZWCXTVBGIE-UHFFFAOYSA-N	337.423	3.995	50	50	EHGA	
Cc1cc(C)c2c3c(sc2n1)C1(CCSCC1)C(C#N)=C(N)O3	4037264	YMUACQGRPFSCTH-UHFFFAOYSA-N	343.477	3.764	50	50	EHGA	biogenic
CC(C)(C)OC(=O)N1CCC[C@]1(CCl)CNCc1ccccc1	214470311	BDQCQYNXNCVHPI-SFHVURJKSA-N	338.879	3.785	50	50	EHGA	
Cc1nc2ccccn2c1C(=O)NN=C1CCC(C(C)(C)C)CC1	48023	MPEIVMBJFJMMLM-UHFFFAOYSA-N	326.444	3.965	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	191791	HJXQGDBGPAFQMJ-VCHYOVAHSA-N	341.461	3.847	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCC(c2nc3cc(F)ccc3s2)CC1	1875364379	PCKZIRKUWMUKTQ-VIFPVBQESA-N	326.824	3.769	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12	242267	CZVMJFYMTMAJEL-BLVKFPJESA-N	330.387	3.901	50	50	EHGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1	93707	WVTFDWVYOVRJFH-VURRPDKYSA-N	337.206	3.911	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(C(F)(F)F)c1	241695	UBQFFYVCHZQQPD-RFAUZJTJSA-N	348.324	3.766	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1C(F)(F)F	292255	WCVAXWMKULZFOE-RFAUZJTJSA-N	348.324	3.766	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2cc(F)ccc2F)c(C(F)(F)F)c1	799750374	FVEBJJGUWGGJLB-UHFFFAOYSA-N	341.239	3.612	50	50	EHGA	
Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1	263761	LOULIOKNRJRBBS-GIJQJNRQSA-N	344.827	3.864	50	50	EHGA	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(N)=O	446139	AKOYPHLDXNIKRM-UVTDQMKNSA-N	348.793	3.585	50	50	EHGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H]1C[C@H]1c1ccccc1	4361408	MOQSZZSTUZVQNG-VTLOZCKBSA-N	330.387	3.799	50	50	EHGA	
C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)[C@@H](C)Cl)OCCO3	1875363454	AVZVUEQWFFFBCK-OLZOCXBDSA-N	349.858	3.800	50	50	EHGA	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)cc2)[nH]n1	9088482	XYACFURWCUIUKL-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
CCCCCCCC(=O)N/N=C/c1c[nH]nc1-c1ccc(OC)cc1	2759526	PUXMAJXGGUFQKR-DEDYPNTBSA-N	342.443	3.896	50	50	EHGA	
CC(C)(C)OC(=O)N1C[C@@H](C2CCCCC2)C[C@H]1C(=O)OCCl	675060148	BPPUYCWZQCMMHK-KBPBESRZSA-N	345.867	3.932	50	50	EHGA	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(C(C)(C)C)n[nH]2)cc1	5685930	DVSSOZNHTVAYIN-UDWIEESQSA-N	326.444	3.769	50	50	EHGA	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)cc2)n[nH]1	263336	HESMFKCHDKRLCC-RQZCQDPDSA-N	330.800	3.556	50	50	EHGA	
C/C(=C\c1ccco1)[C@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21	6191766	ORRIBHZQKOAYQB-TYZQSYOASA-N	344.374	3.943	50	50	EHGA	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	59246	JPXKWXSLNIMDMP-KRWDZBQOSA-N	344.370	3.574	50	50	EHGA	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2c(Cl)cccc2Cl)C[C@@H](C)O1	229650413	ZRHOMLQOBJXPDV-ZOINEBSPSA-N	339.222	3.536	50	50	EHGA	
CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OCCCl	104126817	IEHKVLPRHLZMNF-MRVPVSSYSA-N	346.723	3.771	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)c(F)c2)[C@@H]2CCCC=C12	33724377	CPAXASKJCOURIU-DYVFJYSZSA-N	336.345	3.558	50	50	EHGA	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(N2CCCCC2)o1	245227059	XRYUZVYHIWWEGC-HCWIFCQXSA-N	329.444	3.546	50	50	EHGA	
CCCOc1ccc(O[C@@H]2CCCC[C@H]2NC(=O)CCl)cc1	1320465377	HKMYVQSFFNSHSX-HZPDHXFCSA-N	325.836	3.520	50	50	EHGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)c(O)c1	238816	RZWMXDRHZYAEKU-UDWIEESQSA-N	345.830	3.656	50	50	EHGA	
O=C(CSc1nc2ccccc2s1)N/N=C/C=C/c1ccco1	1816992	AZEFLBLKJZXJRG-AHEHSYJASA-N	343.433	3.797	50	50	EHGA	
O=C(CBr)c1cc(Br)c(Cl)cc1F	263624490	QZPYFYZVVNXVGS-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
CCOc1ccc(/C=C/C(=C(\C#N)C(N)=C(C#N)C#N)C2CC2)cc1	2031598	RVYSYGKXBXTHEC-QNAKUDHHSA-N	330.391	3.589	50	50	EHGA	
CC(/C=N/NC(=O)[C@H](C)Cn1cnc2ccccc21)=C\c1ccccc1	2194731	BCKWHHDZBSIVAP-DQXAJJHISA-N	346.434	3.878	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2)c(C(F)(F)F)c1	799750360	FGXIGWHSJCQHAB-UHFFFAOYSA-N	339.704	3.987	50	50	EHGA	
O=C(CN1CCCCCC1)NN(Cc1ccccc1)c1ccccc1	437263	LKGQCGYXEVTJKQ-UHFFFAOYSA-N	337.467	3.600	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Cl)c2)cc1	2892473	YLQFKONZTZQWDG-RGVLZGJSSA-N	343.814	3.552	50	50	EHGA	
Cc1ccccc1NC(=O)/C(C#N)=C1\NC(C)(C)Cc2ccccc21	2271731	GLMLPMCMLPZXIH-ZPHPHTNESA-N	331.419	3.793	50	50	EHGA	
C[C@@H](Cl)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2	1875377909	QYLMLOKVMVMKSV-YPMHNXCESA-N	334.872	3.659	50	50	EHGA	
COc1cccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)c1	5676296	VTVPJHULKGOULU-RGVLZGJSSA-N	339.782	3.661	50	50	EHGA	
O=S1(=O)C[C@H]2[C@H](c3ccccc3)[C@@H]([C@@H]2c2ccccc2)[C@H]1Cl	254445755	TUXHSCPCLFNSMG-JCECYMMASA-N	332.852	3.793	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccc(F)c1	405805	LYDITZUNXTXYJL-LJQANCHMSA-N	337.398	3.890	50	50	EHGA	
CCSC1=C(C#N)[C@@H](c2ccc(Br)cc2)CC(=O)N1	8973221	DNGXEXAQHVINIL-LLVKDONJSA-N	337.242	3.541	50	50	EHGA	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NCc1ccccc1	15723444	BOCIBNVULGSWFC-DHDCSXOGSA-N	330.309	3.929	50	50	EHGA	
COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1	65444	YDSXHEWXXXYPJI-UDWIEESQSA-N	349.346	3.521	50	50	EHGA	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)C(C#N)=C(S)N1	4638102	OEMPTTZLVWHUMY-GOSISDBHSA-N	347.443	3.951	50	50	EHGA	
COc1ccc(/C(C)=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1	72333	TXDZDXYHKPJNHV-KGENOOAVSA-N	348.406	3.548	50	50	EHGA	
CC(C)(C)[Si](C)(C)OCC[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O	169835171	BQBVBMQHKPFTBP-ZACQAIPSSA-N	338.520	3.873	50	50	EHGA	
O=C(N/N=C/c1ccc(F)cc1)c1cc(Cl)cc(Cl)c1O	438010	YTMAPIWQJDMGAX-CNHKJKLMSA-N	327.142	3.602	50	50	EHGA	
CCCc1n[nH]c2c1[C@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	4473377	WLOYJNODLQBYRT-CYBMUJFWSA-N	348.328	3.599	50	50	EHGA	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)C(C#N)=C(N)O2	59923	SDHROKOVSZAYNC-GOSISDBHSA-N	346.365	3.538	50	50	EHGA	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccn1	5595546	NFPTZKCPXGWYBG-HZHRSRAPSA-N	342.402	3.730	50	50	EHGA	
CC(C)c1[nH]nc2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	5633511	SYQSMMJGUQIGDW-NSHDSACASA-N	332.766	3.544	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc2ccccc12	242268	CZVMJFYMTMAJEL-BUXKBTBVSA-N	330.387	3.901	50	50	EHGA	
CCCCCC1CCC(C(=O)NNC(=O)c2ccc(F)cc2)CC1	6273239	AXOWVPARNQYDJX-UHFFFAOYSA-N	334.435	3.973	50	50	EHGA	
C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Cl	40451325	PBFBAJWNLKWKII-RXMQYKEDSA-N	342.414	3.744	50	50	EHGA	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1	59245	JPXKWXSLNIMDMP-QGZVFWFLSA-N	344.370	3.574	50	50	EHGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1	371372	KRDJKIAHPVHLFX-AYPRBGQRSA-N	346.814	3.575	50	50	EHGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccc3ccccc3c2)n[nH]1	5295971	JNRJYAJVDPDOIT-HYARGMPZSA-N	340.386	3.994	50	50	EHGA	
Cn1nc(-c2ccccc2)nc1/C(C#N)=C/c1c(C2CCC2)cnn1C	864087600	XCXRLVKGYAXORX-LFIBNONCSA-N	344.422	3.547	50	50	EHGA	
Cc1cc(C)c2c3c(sc2n1)[C@]1(CCS[C@@H]1C)C(C#N)=C(N)O3	4037634	LOWNOVUONDCCAL-QGHHPUGFSA-N	343.477	3.763	50	50	EHGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@H]1CCc1ccccc1	278716	KHPMGBSSLHRHRI-CQSZACIVSA-N	344.370	3.596	50	50	EHGA	
O=C(CCl)NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1	1875383875	GFTDAXXVHLPMER-INIZCTEOSA-N	338.234	3.953	50	50	EHGA	
O=C(Nc1ccc(Br)cc1)Oc1ccc([N+](=O)[O-])cc1	222696	XAHSUYYKVMTSRF-UHFFFAOYSA-N	337.129	3.968	50	50	EHGA	
CCOC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCl	44126102	QTMXQROQOPGVAG-GOSISDBHSA-N	345.826	3.558	50	50	EHGA	
CCC(Cc1ccccc1)=NNC(=O)[C@@H](C)Nc1ccccc1OC	245238429	NYKSTTPHHJWEMC-OAHLLOKOSA-N	339.439	3.621	50	50	EHGA	
O=C(N/N=C/CCc1ccccc1)c1cc(Br)ccc1O	5010134	UWGXZSIAXAFIIP-VCHYOVAHSA-N	347.212	3.503	50	50	EHGA	
Cc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1C	799753084	MIQCLTOCKFOVET-UHFFFAOYSA-N	333.313	3.951	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1	5033758	DLSVPBZTXDGHQA-QRJSFIJRSA-N	330.391	3.814	50	50	EHGA	
COC(=O)[C@]1(C)C[C@@H]2C(=O)[C@@]3(O[Si](C)(C)C)CC[C@@]3(C)C[C@@H]2C1	169830607	UHTAOJBXCUOPDZ-IGISWZIWSA-N	338.520	3.555	50	50	EHGA	
Cc1ccc(SCc2[nH]nc3c2[C@H](C(C)C)C(C#N)=C(N)O3)cc1	4167677	MMNGIZQBYVHSDD-OAHLLOKOSA-N	340.452	3.836	50	50	EHGA	
CC(C)(C)OC(=O)NN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C	100011145	XDILSMVBIXONSC-UHFFFAOYSA-N	332.397	3.598	50	50	EHGA	in-vitro
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1cccc(Cl)c1Cl	292273	YXWCVXDZDUUMES-CQSZACIVSA-N	333.174	3.917	50	50	EHGA	
N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(Oc2ccccc2)c1	20010519	DQLIXJDWGYFKFI-UHFFFAOYSA-N	346.415	3.697	50	50	EHGA	aggregator
Cc1cccc(NC(=S)NNC(=O)c2csc3ccccc23)c1	374935	YQIZCGAHWDDPQI-UHFFFAOYSA-N	341.461	3.841	50	50	EHGA	
N#C/C(=C/c1cn(CC(N)=O)c2ccccc12)c1cccc(Cl)c1	5051578	AIBSQOWCYSFYHS-ZSOIEALJSA-N	335.794	3.844	50	50	EHGA	
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(CC(C)(C)CC2=O)N1	19761919	RBTBAHKDXRDTSV-KRWDZBQOSA-N	337.379	3.722	50	50	EHGA	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)cc(Cl)c1O	5093822	JFTBMVISHDEOOM-MXUOTFPVSA-N	348.830	3.656	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1	65455	LCHSZCSSKLXBMC-CAOOACKPSA-N	338.150	3.666	50	50	EHGA	
CCOc1cccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3)[nH]n2)c1	230741	UCWAEZTWVZMOKA-KGENOOAVSA-N	348.406	3.629	50	50	EHGA	
Cc1ccc2nc(/C(C#N)=C/c3ccc(N(C)C)c([N+](=O)[O-])c3)[nH]c2c1	4755524	KLCPMEZESFCTNC-NTEUORMPSA-N	347.378	3.910	50	50	EHGA	
O=C(NNc1ccc(F)c(F)c1F)c1cccc(C(F)(F)F)c1	727759513	AUQJHSONECKCTD-UHFFFAOYSA-N	334.219	3.880	50	50	EHGA	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1	3903296	FZSRDQZVZNMNIL-ZDUSSCGKSA-N	340.452	3.647	50	50	EHGA	
Cc1n[nH]c2c1[C@@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2	85581	IIAPOSMAYUERMP-SFHVURJKSA-N	344.374	3.729	50	50	EHGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c(C)c1	377757	CQTBHKURQZNVAV-KRWDZBQOSA-N	342.402	3.912	50	50	EHGA	
COc1ccccc1/C=C1/C(C)=C(C#N)c2nc(N)c(C#N)c(C)c21	100195347	OYOJLBKOKFJQOO-ZSOIEALJSA-N	328.375	3.704	50	50	EHGA	
COc1ccc2ccccc2c1-c1cc(CNC(=O)[C@@H](C)Cl)on1	1875380108	FPTMXRIOCLNSSQ-LLVKDONJSA-N	344.798	3.747	50	50	EHGA	
CSc1ccc(/C=N/NC(=O)c2c[nH]nc2-c2cccs2)cc1	6160590	NOQYFHNIMDNNIZ-RQZCQDPDSA-N	342.449	3.624	50	50	EHGA	
CC(C)=C(NC(=O)c1ccccc1)C(=O)N/N=C/C=C/c1ccccc1	2825941	WRKKMGQYHNEQJA-TZLYQZOHSA-N	347.418	3.526	50	50	EHGA	
CCCc1cc(C(=O)NNC(=S)Nc2cc(C)cc(C)c2)cs1	5946886	OIGLIEKJMVJCEM-UHFFFAOYSA-N	347.509	3.949	50	50	EHGA	
CCN(CC)c1ccc(/C=N\NC(=O)c2cccc3cc[nH]c23)cc1	31906047	LJOFDFVUSGJCMX-HMAPJEAMSA-N	334.423	3.778	50	50	EHGA	
CCOc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1O	220859	ZIWBFCWBHFUSNN-HYARGMPZSA-N	348.402	3.637	50	50	EHGA	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1O	15220525	JQQVVHPVQPPEPX-WQLSENKSSA-N	328.755	3.600	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2ccccc2c1	293391	WDPHEUAANZONJB-HXPMCKFVSA-N	330.387	3.901	50	50	EHGA	
CC(/C=C/c1ccco1)=N/NC(=O)c1ccc(Br)cc1	280667	WIKFUTWZZXPSKG-TZGYRSQPSA-N	333.185	3.861	50	50	EHGA	
O=C(Nc1ccc2cnn(CCCC(F)(F)F)c2c1)[C@@H](F)Cl	2325897848	KMFXDTDTJSISKY-LLVKDONJSA-N	337.704	3.852	50	50	EHGA	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)NCc2cccs2)cc1	6628441	SXCDPVPWOOGWKZ-DHDCSXOGSA-N	348.431	3.670	50	50	EHGA	
COc1ccc(/C(C)=N/NC(=O)c2ccc(-n3cccc3)cc2)cc1	4619426	CPYMFHWMEQRXFU-RCCKNPSSSA-N	333.391	3.640	50	50	EHGA	
Cc1ccsc1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	437866	ZQWRACHMYZLJJE-REZTVBANSA-N	343.235	3.892	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)c1ccc(Cl)cc1	17179781	VOOLEVVTPBEHGJ-YBFXNURJSA-N	342.786	3.786	50	50	EHGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	4597223	AHAMHZSLSGMKNN-NSHDSACASA-N	346.793	3.718	50	50	EHGA	
CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3cccs3)[C@H]2C1	4453556	ISOIGZZSWATPCY-HACGYAERSA-N	334.448	3.978	50	50	EHGA	
Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/c1ccccc1Cl	5297595	DZBOMQCWNSHNEB-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@H]1c1ccccc1Cl	5125954	ABOWQVMMBBKVKF-HNNXBMFYSA-N	348.793	3.948	50	50	EHGA	
O=C(N/N=C/c1cccnc1)N(Cc1ccccc1)Cc1ccccc1	2167274	KXQYILQPJBKGPX-HZHRSRAPSA-N	344.418	3.828	50	50	EHGA	
Cc1ccc(C)c(NC(=O)NNC(=O)c2c(O)ccc3ccccc23)c1	17072544	HZMIWDFQYUHDFH-UHFFFAOYSA-N	349.390	3.629	50	50	EHGA	
C[C@@H](NC(=O)c1ccccc1NC(=O)CCCl)c1ccccc1	5675355	AUKJBEHWPITLSM-CYBMUJFWSA-N	330.815	3.745	50	50	EHGA	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)C(C#N)=C(N)O2	59924	SDHROKOVSZAYNC-SFHVURJKSA-N	346.365	3.538	50	50	EHGA	
CC(C)n1c([C@@H]2CCCN(C(=O)[C@@H](C)Cl)C2)nc2ccccc21	1875363873	CCPSSJMETDLPJK-ZIAGYGMSSA-N	333.863	3.951	50	50	EHGA	
Cc1ccc(NC(=O)C2(CNC(=O)[C@@H](C)Cl)CCCC2)cc1C	1875364471	RIVVUUNTRUYGCQ-CQSZACIVSA-N	336.863	3.546	50	50	EHGA	
CC1=C[C@@H](C)[C@H]2CO[C@@H](c3ccccc3)[C@H]1[C@@H]2COC(=O)CCl	252695196	WDVFWRCDJREHFA-BRXAQIOASA-N	334.843	3.985	50	50	EHGA	biogenic
FC(F)(F)O[C@@](F)(CCI)C(F)(F)F	4290062	HNXWCMICEMCXCV-VKHMYHEASA-N	339.976	3.576	50	50	EHGA	in-vitro
CCSC1=C(C#N)[C@H](c2cccc(Br)c2)CC(=O)N1	9320761	RHUOBJBCRKFBKY-NSHDSACASA-N	337.242	3.541	50	50	EHGA	
Cc1ccc(S(=O)(=O)OC[C@@H](C)C[C@@H](C)Br)cc1	3137294	BETJJGSXOUFMDM-NWDGAFQWSA-N	335.263	3.510	50	50	EHGA	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1	4739463	WZUXWASWVNUAFF-AWQFTUOYSA-N	336.222	3.864	50	50	EHGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)c1	437052	AEUNAUYYHDRFHN-QQHUYRGFSA-N	348.402	3.766	50	50	EHGA	
O=c1oc2cc(F)ccc2cc1C(Br)Br	1690110813	PUPXNPILMGQNJZ-UHFFFAOYSA-N	335.954	3.721	50	50	EHGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccc(F)cc1	60122	ABBFCVLCIVOBIC-GIJQJNRQSA-N	345.424	3.678	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1cccs1	181405	JBWHZQWGGXFDNN-MHWRWJLKSA-N	330.438	3.662	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)CCn2cnc3ccccc32)cc1	544724	FRBYEBNJNHUNQN-LPYMAVHISA-N	334.423	3.700	50	50	EHGA	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccccc2)cs1	179235	CYQPZBAIONKJNE-RVDMUPIBSA-N	346.415	3.886	50	50	EHGA	
CCOc1ccc([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	28031	BMSKLZWUUHXDNT-PKOBYXMFSA-N	344.418	3.679	50	50	EHGA	
Cc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1	349666	XQQVKJYXEYTTFR-UHFFFAOYSA-N	330.387	3.737	50	50	EHGA	aggregator
N#C/C(=C\c1c[nH]c2ccccc12)C(=O)Nc1ccc([N+](=O)[O-])cc1	4263987	PZHMMHOLIBCLBR-FMIVXFBMSA-N	332.319	3.622	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)c1ccco1	5353972	KAHUYUAMQCWTRD-FYJGNVAPSA-N	344.374	3.977	50	50	EHGA	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C	441268	QMLGUQMCBAMTMO-LPYMAVHISA-N	332.407	3.561	50	50	EHGA	
C[C@@H](Cl)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1	1875363435	AEDUSHUHOVXWCP-MLGOLLRUSA-N	345.805	3.660	50	50	EHGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1	38895	KLHQWXOILCCTOX-SFHVURJKSA-N	343.342	3.966	50	50	EHGA	in-vitro
O=C(CCCC[C@H]1CCSS1)N[C@@H](C(=O)O)c1ccccc1	269085106	LSEZHTXSIOXYSY-DZGCQCFKSA-N	339.482	3.643	50	50	EHGA	
CN(C)c1ccc(/C=N/NC(=O)C23CC4C[C@H](CC[C@@H](C4)C2)C3)cc1	100463017	DWYDNAIYAUBYAG-VKXNSVFISA-N	339.483	3.809	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@@H]1CCCN(Cc2ccccc2)C1	1875363612	MTOVCKVJLOUBDA-CGTJXYLNSA-N	334.891	3.517	50	50	EHGA	
C/C=C1/C[N@+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14	252441292	NNGQLOSIKGOGJJ-UCHARKLQSA-O	335.471	3.782	50	50	EHGA	
O=C(NNC(=O)c1csc2c1CCCC2)Nc1cccc(Cl)c1	355767	JWIPPUCIJMFDPG-UHFFFAOYSA-N	349.843	3.747	50	50	EHGA	
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1cccc2ccccc12	3668262	CFKRGQPXWJXWIO-IBGZPJMESA-N	346.386	3.651	50	50	EHGA	
COc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)cc3)[nH]n2)cc1	8969685	SIZLWTWRSVOWFO-KGENOOAVSA-N	348.406	3.548	50	50	EHGA	
C/C(=N\NC(=O)c1ccc(OC2CCCC2)cc1)c1ccc(O)cc1	20158931	QFPDWWKCLJEEAY-KGENOOAVSA-N	338.407	3.868	50	50	EHGA	
CC(C)(C)c1n[nH]c2c1[C@H](c1ccccc1Cl)C(C#N)=C(N)O2	5095386	KTAQYVDIUNPJLW-GFCCVEGCSA-N	328.803	3.579	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1O	261508484	TUJUGHMRJSEITE-ZWKOTPCHSA-N	335.564	3.891	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@H](Cn1cnc2ccccc21)c1ccc(F)cc1	1875363433	AEDUSHUHOVXWCP-BLLLJJGKSA-N	345.805	3.660	50	50	EHGA	
Cc1ccc(NC(=S)NNC(=O)c2ccc(Cl)cc2)cc1C	609317	FRLLHXOBDQKMSB-UHFFFAOYSA-N	333.844	3.588	50	50	EHGA	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccccc2)n[nH]1	5296959	ZDHWKDMQORQOHC-HYARGMPZSA-N	340.386	3.994	50	50	EHGA	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1	182792	HKFFVCRRRLKMBY-SFHVURJKSA-N	337.448	3.693	50	50	EHGA	
CCOc1ccc(-c2n[nH]c(C(=O)N/N=C/c3ccccc3)c2C)cc1	5295973	QRFDTBHXUDLIJI-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
O=C(O)[C@@H](Br)CC[C@@H](Br)c1ccccc1	331990	JRXRLEVWMKFIAG-ZJUUUORDSA-N	336.023	3.751	50	50	EHGA	
O=C(Cc1ccccc1)N/N=C/C=C/c1ccc(Br)cc1	2854462	KCBHUDKXLFJGOO-MZBBQUMVSA-N	343.224	3.807	50	50	EHGA	
Cc1scc(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)c1C	372541	CDBAPJNQLLBRRX-YAXRCOADSA-N	336.800	3.511	50	50	EHGA	
CCCOc1cccc(/C(C)=N/NC(=O)[C@]2(C)CC2(Cl)Cl)c1	17071633	NOXOKAKGBNUAKR-BKQORJHRSA-N	343.254	3.900	50	50	EHGA	
O=C(c1ccc(Cl)cc1)[C@H](Br)CN1CCCCC1	96026455	HUSKVFNKJHDQOZ-CYBMUJFWSA-N	330.653	3.772	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1	44179	IZXXSMPFJYXGFJ-XDHOZWIPSA-N	335.319	3.619	50	50	EHGA	
CC(C)(C)OC(=O)N1c2ccccc2[C@@H](NC(=O)CCl)C1(C)C	1875378325	ZUOJFNOZGSAOKA-CQSZACIVSA-N	338.835	3.616	50	50	EHGA	
CC(C)[C@H]1C(C#N)=C(N)Oc2n[nH]c(CSc3ccccc3)c21	549815	KVRSCHYOIVGBLT-AWEZNQCLSA-N	326.425	3.528	50	50	EHGA	
COc1ccc(OC)c(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1	438139	OINSELDLJHUYHB-FYJGNVAPSA-N	340.423	3.765	50	50	EHGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1	405347	LDHHDFFSJYOKLK-LJQANCHMSA-N	342.402	3.707	50	50	EHGA	
CC/C(=N/NC(=O)c1cccc(Br)c1)c1ccccc1	65133	SBEWIUNFONLPQN-SDXDJHTJSA-N	331.213	3.993	50	50	EHGA	
O=C(N/N=C/c1cnc(Cl)s1)c1ccc(C(F)(F)F)cc1	1398689	UKBIEAYOHBRUDB-NGYBGAFCSA-N	333.722	3.579	50	50	EHGA	
O=S(=O)(Nc1ccc(F)cc1)c1ccc(CBr)cc1	2539527	SFYHVQBHPYZLHF-UHFFFAOYSA-N	344.205	3.521	50	50	EHGA	
O=C(CBr)Nc1nc(-c2ccc(Cl)cc2)cs1	159327	QEAJQJGPXFVEJA-UHFFFAOYSA-N	331.622	3.797	50	50	EHGA	
CCc1ccc(NC(=O)NNC(=O)c2ccc3ccccc3c2O)cc1	15933959	HPGNOWVFAYSNAQ-UHFFFAOYSA-N	349.390	3.574	50	50	EHGA	
CC1(C)OB(c2ccc(CBr)c(Cl)c2)OC1(C)C	169936672	VMYBBVYMLVXREL-UHFFFAOYSA-N	331.446	3.534	50	50	EHGA	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1	441351	BZKTXCFGSQMZER-LPYMAVHISA-N	332.407	3.561	50	50	EHGA	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2C)C(C#N)=C(N)O3)cc1	4167646	NIQHGALOBPQESE-KRWDZBQOSA-N	342.402	3.912	50	50	EHGA	
CC(C)c1ccc(NC(=S)NNC(=O)CCc2ccccc2)cc1	6387253	VAAWYNYFASSWIM-UHFFFAOYSA-N	341.480	3.760	50	50	EHGA	
C[C@@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(Cl)cc1	35653625	QTFQVAGNTNFJPW-VURRPDKYSA-N	337.206	3.911	50	50	EHGA	
O=C(CCl)c1cc(Br)cc(F)c1Br	263625013	WBAJITFJXOKWFG-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(O)cc1	297498	QZURKSIHWDLJHF-HYARGMPZSA-N	346.386	3.735	50	50	EHGA	
N#CC1=C(SCc2ccccc2)NC(=O)[C@@H](C#N)C12CCCCC2	8973090	PDHWWQMYBJCWCC-OAHLLOKOSA-N	337.448	3.875	50	50	EHGA	
O=C(COc1ccc(Cl)cc1Cl)Oc1ccc([N+](=O)[O-])cc1	300953	UPYOHDGWOGLAKA-UHFFFAOYSA-N	342.134	3.886	50	50	EHGA	
C#CCOc1ccc(OC)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	16345851	IYNQELQDQCQYDS-WJDWOHSUSA-N	334.331	3.680	50	50	EHGA	
O=S1(=O)CC2[C@H](c3ccccc3)C([C@H]2c2ccccc2)[C@H]1Cl	19877977	TUXHSCPCLFNSMG-LZJIOBQVSA-N	332.852	3.793	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc(CO)c(F)n2)C1	169794014	JQQKGDLNCOVUEI-CYBMUJFWSA-N	340.515	3.561	50	50	EHGA	in-vitro
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)s1	17066749	XXNQUIOBZSDLAB-YRNVUSSQSA-N	326.377	3.585	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)cc1Cl	48837	SWNKCWLKLUQSMC-HNNXBMFYSA-N	333.174	3.917	50	50	EHGA	
CC(C)[C@@H](NC(=O)[C@H](C)Cl)[C@@H](O)c1cccc(C(F)(F)F)c1	1875377910	RBOIWAVYZUQSHL-BIMULSAOSA-N	337.769	3.507	50	50	EHGA	
CC1=CS/C(=C(/C#N)C(=O)NCc2ccco2)N1c1ccccc1	312175	NJJZSOGGXHHVNO-VLGSPTGOSA-N	337.404	3.746	50	50	EHGA	
Cc1nc2ccc(Cl)cn2c1C(=O)N/N=C/c1ccccc1Cl	274900	OOOKIJXGZIMXNL-UFWORHAWSA-N	347.205	3.713	50	50	EHGA	
Clc1cc(CBr)ccc1I	116744797	QZPHBAFVBQVVJH-UHFFFAOYSA-N	331.378	3.840	50	50	EHGA	
FC(F)C(F)(F)C(F)(F)C(F)(F)CI	2579151	YMGYSVVJRMSEGU-UHFFFAOYSA-N	341.967	3.592	50	50	EHGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	8973064	YHJXDXFMHZFIIC-MRXNPFEDSA-N	328.375	3.603	50	50	EHGA	
C[C@H](NC(=O)C(=O)NN=C1CCC(C(C)(C)C)CC1)c1ccccc1	4867101	IILMFQZQDQIKKF-LBAUFKAWSA-N	343.471	3.572	50	50	EHGA	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C	441222	GTHDNWWPSLNDPT-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
CCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1	482888	DCWYYWRYGWOHTK-HMHKGCENSA-N	346.814	3.656	50	50	EHGA	
CCCc1n[nH]c2c1[C@H](c1cccc3ccccc13)C(C#N)=C(N)O2	5023950	AQXPBZOZMCHYHM-QGZVFWFLSA-N	330.391	3.734	50	50	EHGA	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC[C@]2(O)C#N	257346631	XHDBQDNRWFJOBU-CAYFNDFTSA-N	329.484	3.955	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)CC[C@H]1O	261508483	TUJUGHMRJSEITE-QZTJIDSGSA-N	335.564	3.891	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@@H]1c1ccccc1Cl	292282	PDTDAALRHMPNCF-HNNXBMFYSA-N	333.174	3.917	50	50	EHGA	
N#CC1=C(N)N(c2ccccc2)c2cc(O)ccc2[C@H]1c1ccncc1	1423148	SJPOAVPJNVTUJZ-HXUWFJFHSA-N	340.386	3.765	50	50	EHGA	
CCOc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1	799749518	SDSBANMRFRKHMA-UHFFFAOYSA-N	349.312	3.733	50	50	EHGA	
CCCCCc1ccc(/C(C)=N/NC(=O)c2n[nH]c3c2CCC3)cc1	4285185	KTFZEXPRTZOGTK-KGENOOAVSA-N	338.455	3.785	50	50	EHGA	
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@H]1CCc1ccccc1	278719	KHPMGBSSLHRHRI-AWEZNQCLSA-N	344.370	3.596	50	50	EHGA	
COc1ccccc1/C=N\NC(=O)c1cc2ccccc2cc1OC	15636174	SDQPWRWOJSNHNZ-BKUYFWCQSA-N	334.375	3.621	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H]1c1cccs1	51321	GEMOXYJUYDPQOV-FZKQIMNGSA-N	348.427	3.957	50	50	EHGA	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2OC)s1	17071531	SLBGVRWSOVBGPY-FMIVXFBMSA-N	342.420	3.873	50	50	EHGA	
CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1	4109645	RCOACFKETLDDGK-UHNXPTMUSA-N	348.446	3.774	50	50	EHGA	
Cc1ccc(C)c([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	43565	FZOUNTPCWTWXPW-QFBILLFUSA-N	328.419	3.897	50	50	EHGA	
CC(C)c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1	274332	OUJIWJVDDYIICD-RGVLZGJSSA-N	330.815	3.993	50	50	EHGA	
CC1=C(O[Si](C)(C)C)C[C@@H]2C(=O)OC(=O)[C@H]2[C@@H]1c1ccccc1	195810095	FOIUTEJHBPVOOU-CWRNSKLLSA-N	330.456	3.615	50	50	EHGA	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C(C)(C)C)c32)cc1	3903297	FZSRDQZVZNMNIL-CYBMUJFWSA-N	340.452	3.647	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccc(Cl)cc1	4663833	KILHFHLYESANOB-UDWIEESQSA-N	338.798	3.884	50	50	EHGA	
CC1(C)OB(c2cncc(CO[Si](C)(C)C(C)(C)C)c2)OC1(C)C	169969286	WPQHMXMERIIKPV-UHFFFAOYSA-N	349.356	3.903	50	50	EHGA	
CSc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	58716	LOWAUECXRBFYFX-INIZCTEOSA-N	340.448	3.859	50	50	EHGA	
Cc1ccc(NC(=O)OCCCl)cc1NC(=O)OCCCl	2162145	YMULDBJHQUUQPR-UHFFFAOYSA-N	335.187	3.570	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1	5569061	OBNQYGBLDMZAMM-CAOOACKPSA-N	338.150	3.666	50	50	EHGA	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	245226680	IHXGFANIUKFPRF-BFECMRKISA-N	335.791	3.525	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)s1	17746478	DEOOXLNRJIJICK-GIJQJNRQSA-N	344.827	3.864	50	50	EHGA	
Cc1ccc2nc(-c3ccc(F)cc3)c(CNC(=O)[C@H](C)Cl)n2c1	1875380764	YYBXGSJEIKVVFQ-LBPRGKRZSA-N	345.805	3.692	50	50	EHGA	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(N)=S	454866	CGNDHCIRBOTPJZ-UVTDQMKNSA-N	348.406	3.871	50	50	EHGA	
Cc1nn(C)c(NC(=O)[C@H](F)Cl)c1-c1ccc(F)cc1Cl	2325898476	FMEBNTIYNZUEJP-NSHDSACASA-N	334.153	3.661	50	50	EHGA	
N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)C12CCCCC2	1232528	YCEPIWJNXNJYET-UHFFFAOYSA-N	336.464	3.903	50	50	EHGA	aggregator
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	165839	SIKWFYGKLRLLER-MHWRWJLKSA-N	333.796	3.687	50	50	EHGA	
N#CSc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1	16361214	GDNVRAHAAZAORA-UHFFFAOYSA-N	347.446	3.670	50	50	EHGA	
Cc1ccc(C(=O)NNC(=S)Nc2cccc3ccccc23)s1	8578553	OEJQJXIMFOMOAD-UHFFFAOYSA-N	341.461	3.841	50	50	EHGA	
C/C(=N\NC(=O)Cc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	12343161	QDNPKBPWUUHDJF-KGENOOAVSA-N	347.374	3.831	50	50	EHGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccc(F)c2)cc1	4210720	DXWWKEZHPLLWHW-LPYMAVHISA-N	335.382	3.997	50	50	EHGA	
O=C(Cl)c1ccc(I)cc1C(F)(F)F	238568662	WKGCYPCYEQLIJN-UHFFFAOYSA-N	334.462	3.689	50	50	EHGA	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc3ccccc3o2)cc1	3037241	ZBRWCUVVHWWLMJ-WYMLVPIESA-N	333.347	3.981	50	50	EHGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(C)c1	2821004	ZITJJGYVGYBPDV-QGZVFWFLSA-N	344.370	3.628	50	50	EHGA	
CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2C)cc1	3152092	RKJPYHYLOQVGMB-KGENOOAVSA-N	340.423	3.703	50	50	EHGA	
CCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccc(C)cc1	102293950	CKYDWXHPGBPDDG-PXLXIMEGSA-N	345.487	3.702	50	50	EHGA	
O=C(N/N=C/c1ccco1)[C@H]1CC1(c1ccccc1)c1ccccc1	47491	QFKVHBBXWLVKKI-QTCOBDOFSA-N	330.387	3.736	50	50	EHGA	
Cn1c(/C=C(\C#N)C(N)=S)ccc1-c1ccc(Br)cc1	13518787	TXUBQPFWUJOVLN-DHZHZOJOSA-N	346.253	3.648	50	50	EHGA	
CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1cccs1	4751318	UIPLHCZBLVEWDY-INIZCTEOSA-N	340.404	3.893	50	50	EHGA	
FC(F)(F)O[C@](F)(CCI)C(F)(F)F	2530908	HNXWCMICEMCXCV-GSVOUGTGSA-N	339.976	3.576	50	50	EHGA	in-vitro
CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1	1885850	JJVHPCZLNBBIGW-QGMBQPNBSA-N	339.226	3.778	50	50	EHGA	
CCCCOc1ccc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4372839	ZINHRULSCGLCLE-CPNJWEJPSA-N	341.367	3.538	50	50	EHGA	
O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc(F)c1	206797	VDKNIVFIPSLUFD-RGVLZGJSSA-N	341.367	3.729	50	50	EHGA	
CCCCc1ccc([C@H]2C(C#N)=C(N)OC(C)=C2C(=O)OCC)s1	2187904	AMTFQRIHGPQGJY-MRXNPFEDSA-N	346.452	3.735	50	50	EHGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(N2CCCCC2)o1	245227060	XRYUZVYHIWWEGC-QTZOHAFJSA-N	329.444	3.546	50	50	EHGA	
CCC[C@H](C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1	2826209	TYDNCYGVLAGCAW-GOSISDBHSA-N	330.364	3.732	50	50	EHGA	
CO[C@@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1	436835	NJOOSLRAUXHZCH-GDXCHIGESA-N	337.206	3.831	50	50	EHGA	
N#CC(C#N)=Cc1cn(CC(=O)Nc2ccccc2)c2ccccc12	448764	OVSPSJYFVPHBDW-UHFFFAOYSA-N	326.359	3.711	50	50	EHGA	
CCOC(=O)c1c(NC(=O)CCCl)sc2c1CC[C@@H](C)C2	2680173	HMPDRSLREMBQDI-SECBINFHSA-N	329.849	3.617	50	50	EHGA	
Cc1c(-c2ccccc2)n[nH]c1C(=O)N/N=C/C=C/c1ccccc1	6812740	NFDBXEVOCKWFSR-DYTMQZIQSA-N	330.391	3.814	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2cccs2)[nH]n1)c1ccccc1Cl	9013203	XPAGMLGXOXPZSE-VCHYOVAHSA-N	344.827	3.946	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1	2473886	WDYBCSVEZBEZHB-HNNXBMFYSA-N	328.799	3.791	50	50	EHGA	
C/C(=N\NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccc(OC(C)C)cc1	17071630	CQBOJRJDGKBBFN-SKCQWOFPSA-N	343.254	3.898	50	50	EHGA	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1	160786	OLZDUDAXAKUUCC-GZTJUZNOSA-N	337.375	3.744	50	50	EHGA	
O=C(c1ccc(Cl)cc1)[C@@H](Br)CN1CCCCC1	96026456	HUSKVFNKJHDQOZ-ZDUSSCGKSA-N	330.653	3.772	50	50	EHGA	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1c(F)cccc1Cl	280625	CZFXOYOEVXJQAG-DJKKODMXSA-N	325.170	3.825	50	50	EHGA	
Cc1nc2sccn2c1C(=O)N/N=C/c1cccc2ccccc12	432269	BAHDODVBCWHXND-YBFXNURJSA-N	334.404	3.621	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)[C@@H](C)Nc2ccc(Cl)cc2C)cc1	230141470	BIRMJWFVDWRXSD-XLTHYULKSA-N	329.831	3.908	50	50	EHGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)c1	437050	AEUNAUYYHDRFHN-WXUSHSQQSA-N	348.402	3.766	50	50	EHGA	
O=C(CBr)c1c(F)ccc(Br)c1Cl	169795970	XWOVEUPYIWFSHC-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
N#C/C(=C/Nc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1	5512410	HVGQCKNAGZFFSM-GDNBJRDFSA-N	336.775	3.730	50	50	EHGA	
CCN(CC)C(=O)Nc1ccc(NC(=O)[C@H](F)Cl)c(Cl)c1	2325897786	IXDLIFJXKSNYIV-NSHDSACASA-N	336.194	3.687	50	50	EHGA	
COc1ccc(/C(=N/NC(=O)c2ccccc2)c2ccccc2)cc1	1225960	SMLBTUQJIPUFOR-LSDHQDQOSA-N	330.387	3.878	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)COc2cccc(Cl)c2Cl)cc1	2521732	UTYKCSJKYAWHSI-DJKKODMXSA-N	337.206	3.831	50	50	EHGA	
N#CC(C#N)=C(C#N)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2508317	WLQAQCJYSLYFFX-UHFFFAOYSA-N	330.191	3.961	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1	1875378228	XVNADBLDSTYPQI-MWODSPESSA-N	336.646	3.815	50	50	EHGA	
Cc1ccn2c(C(=O)N/N=C\c3cccc4ccccc34)c(C)nc2c1	4697157	RAUJPUZBWBHHID-XKZIYDEJSA-N	342.402	3.868	50	50	EHGA	
O=C(CBr)c1c(F)cc(Br)cc1Cl	263625168	XIDFFGJQEPUEGX-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1ccc2[nH]cnc2c1	4974026	NJYOVQPLVPOYME-ZMOGYAJESA-N	340.386	3.994	50	50	EHGA	
CCc1c(C(=O)NNC(=S)Nc2ccccc2C)csc1C	374438	OUBGDSRMHCNZEO-UHFFFAOYSA-N	333.482	3.559	50	50	EHGA	
CCc1cccc2c(C(=O)NN)cc(-c3ccc(Cl)cc3)nc12	2569053	DAFZGMZDTGHRHR-UHFFFAOYSA-N	325.799	3.721	50	50	EHGA	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c(C)c1	441368	PHEHKCXQUQMOCG-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c(F)cccc1Cl	87718	VCOMPRQQQKDYJT-AWEZNQCLSA-N	346.789	3.930	50	50	EHGA	
CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CC[C@@H](C)C2	3269792	MGZCOZQRUHDERD-BDAKNGLRSA-N	329.849	3.615	50	50	EHGA	
COC(=O)C12c3ccccc3C(c3ccccc31)[C@H](Cl)[C@@H]2Cl	101037818	JGYHLATUNVJIFG-LPMVOBIJSA-N	333.214	3.819	50	50	EHGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1Cl	245226679	IHXGFANIUKFPRF-ABLYCFMTSA-N	335.791	3.525	50	50	EHGA	
CC(C)(C)c1cc(C(=O)N/N=C/C(Cl)=C/c2ccccc2)[nH]n1	263752	MYHXDAGQCCCNLJ-FKDPSPLQSA-N	330.819	3.703	50	50	EHGA	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1O	265702	GAMWEVNMFVEOOG-MPMPPSQCSA-N	336.391	3.575	50	50	EHGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1	439093	WKRNRAHRWSZYDI-DEDYPNTBSA-N	329.831	3.950	50	50	EHGA	
C[C@H](Cl)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3	1875363455	AVZVUEQWFFFBCK-QWHCGFSZSA-N	349.858	3.800	50	50	EHGA	
CCOc1ccccc1[C@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21	296108	YLZHZIYNTZKNNC-QGZVFWFLSA-N	342.782	3.662	50	50	EHGA	
Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc(Cl)cc1Cl	275861	RKQJBWXVCIFUDZ-DJKKODMXSA-N	347.205	3.713	50	50	EHGA	
CO[C@H](C(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1	439592	OCFMMIONPUZJSB-VSIOZEBNSA-N	344.414	3.776	50	50	EHGA	
CC(C)n1c([C@H]2CCCN(C(=O)[C@@H](C)Cl)C2)nc2ccccc21	1875363871	CCPSSJMETDLPJK-KGLIPLIRSA-N	333.863	3.951	50	50	EHGA	
O=C(CBr)c1cc(Cl)c(F)cc1Br	263624533	RIKHYIZVKBRYJH-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
Cc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1	186694	XVPRXEMTVMWYAM-VCHYOVAHSA-N	341.461	3.847	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)[nH]n2)cc1	435604	ACADWCXAVWOLJO-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
O=C(Cc1cccs1)N/N=C\C(Br)=C\c1ccccc1	31841423	ADEAVHOROOIQPD-JTSKSXQCSA-N	349.253	3.829	50	50	EHGA	
CCCc1cc(C(=O)NNC(=S)N[C@H](C)c2ccccc2)cs1	8671816	CSYZIXIRNFIWDE-GFCCVEGCSA-N	347.509	3.571	50	50	EHGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1cccs1	67207	DDDNGMRCJIHFKI-OVCLIPMQSA-N	333.463	3.600	50	50	EHGA	
CO[C@@H](C(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1	63790	WRNIIZYDSRMLQC-UGVMZYNRSA-N	336.313	3.543	50	50	EHGA	
COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCC#N	4855427	YTBNLHBMIVZGTD-SDNWHVSQSA-N	330.347	3.538	50	50	EHGA	
Cc1c(Cl)cccc1NC(=S)NNC(=O)CCc1ccccc1	6527127	FIEFQBCJSVANET-UHFFFAOYSA-N	347.871	3.599	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)s1)c1c[nH]c2ccccc12	432931	QGCPKCLPPNWTLV-REZTVBANSA-N	348.225	3.756	50	50	EHGA	
CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OC(C)C	2040094	HDWLUGYOLUHEMN-VIFPVBQESA-N	326.305	3.940	50	50	EHGA	in-vitro
CCOc1ccc(Br)cc1C(=O)N/N=C/c1ccccc1	2576224	LLNPWNVEDKTWPT-WOJGMQOQSA-N	347.212	3.612	50	50	EHGA	
O=C(CCl)c1c(NCc2ccccc2)c2ccccc2oc1=O	2080385648	UVIVWBOTOPHILH-UHFFFAOYSA-N	327.767	3.827	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1Cl	67787	XQKMEIFXCAEVTM-OAHLLOKOSA-N	328.799	3.791	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(C(F)(F)F)cc1	242195	LHICLUBEEPMXGR-BJOHPYRUSA-N	348.324	3.766	50	50	EHGA	
Cc1ccc2nc(-c3ccc(OC(C)C)cc3)cc(C(=O)NN)c2c1	6279218	VFOHERJWIHWHMD-UHFFFAOYSA-N	335.407	3.601	50	50	EHGA	
O=C1ON=C(CCl)/C1=C\c1ccc(OCc2ccccc2)cc1	34926733	SFKYETLICFWNPC-MHWRWJLKSA-N	327.767	3.801	50	50	EHGA	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(Cl)c(Cl)c1	442131	RDAOTHZHPNYLQQ-WUXMJOGZSA-N	334.206	3.793	50	50	EHGA	
CC[C@H](Cl)C(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2162131	ZTSQTSMDPFKVOF-KWQFWETISA-N	344.751	3.939	50	50	EHGA	
O=C(CCCC[C@H]1CCSS1)N[C@@H](CO)c1ccccc1	182589226	YMQZRZJZVVDSSN-GJZGRUSLSA-N	325.499	3.550	50	50	EHGA	
COc1ccccc1/C=N/NC(=O)c1ccc(-n2c(C)ccc2C)cc1	4210502	XRTYSUGDQYFSNE-HYARGMPZSA-N	347.418	3.867	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(Cl)c1Cl	47860	DAGBSRIPEUKVTD-CYBMUJFWSA-N	335.190	3.808	50	50	EHGA	
Cc1cccc(NC(=S)NNC(=O)c2csc3c2CCCC3)c1	13470948	HFIQWLSGXSIVOV-UHFFFAOYSA-N	345.493	3.567	50	50	EHGA	
CCc1ccc(-c2n[nH]cc2/C=N/NC(=O)c2csc(C)c2)cc1	17071024	ZUAAPGWORJIPCY-KEBDBYFISA-N	338.436	3.773	50	50	EHGA	
CC(C)c1ccc(/C=C/C(=O)NNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1	4109646	RCOACFKETLDDGK-IXNXTHMNSA-N	348.446	3.774	50	50	EHGA	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(Br)cc1	4713983	SLNQPEBMNYFHSG-VXLYETTFSA-N	342.196	3.694	50	50	EHGA	
CN1c2ccccc2[C@@H](Cl)c2ccc(Cl)cc2S1(=O)=O	21298814	FHICZIHQHGRZLE-CQSZACIVSA-N	328.220	3.807	50	50	EHGA	in-vitro
CC(C)(CCl)C(=O)Nc1ccc(-n2cnc3ccccc32)nc1	2325870811	QOBRNBCPXIUNAK-UHFFFAOYSA-N	328.803	3.624	50	50	EHGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cc2ccccc2o1	435032	HOWVLMKWCPKFRE-GIJQJNRQSA-N	343.726	3.758	50	50	EHGA	
CCCc1n[nH]c2c1[C@@H](c1cccc3ccccc13)C(C#N)=C(N)O2	5023949	AQXPBZOZMCHYHM-KRWDZBQOSA-N	330.391	3.734	50	50	EHGA	
CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@H]1c1cccc(Cl)c1	19902339	WHTWGCQZMIGEAV-CQSZACIVSA-N	334.828	3.529	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccccc1C(F)(F)F	196804	ZBYUHMIYYPKSQY-CQSZACIVSA-N	334.297	3.520	50	50	EHGA	
C/C(=N\NC(=O)Cc1cccn1C)c1ccc(-c2ccccc2)cc1	12362388	NSGNDMODGLVURW-CJLVFECKSA-N	331.419	3.775	50	50	EHGA	
CC[C@H]1CCC/C1=N\NC(=O)C(O)(c1ccccc1)c1ccccc1	4832341	WYISITGEHZROAO-QKDOTCOFSA-N	336.435	3.605	50	50	EHGA	
CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	6783455	RTONBJBLNVZFTK-KGENOOAVSA-N	348.406	3.629	50	50	EHGA	
C/C(=N/NC(=O)C1[C@H]2CCCC[C@H]12)c1ccc(Br)cc1	100299742	KRDBWWMPMKJBMX-FYFVVDILSA-N	335.245	3.726	50	50	EHGA	
CC1=C(O[Si](C)(C)C)C[C@@H]2C(=O)OC(=O)[C@@H]2[C@@H]1c1ccccc1	195810093	FOIUTEJHBPVOOU-BPUTZDHNSA-N	330.456	3.615	50	50	EHGA	
Cc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1C#N	799750209	ZFRWJILDLPDIPK-UHFFFAOYSA-N	344.296	3.514	50	50	EHGA	
Cn1nc(C(=O)N/N=C/c2ccc(Cl)cc2)cc1-c1ccccc1	295525	CXWURHKSKYWVBQ-UDWIEESQSA-N	338.798	3.504	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(Cl)cc1Cl	58312	OCNISWAUBSKCDQ-OAHLLOKOSA-N	332.190	3.794	50	50	EHGA	
Cc1ccccc1[C@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	274855	FSWTZHXFPXWQOE-IBGZPJMESA-N	342.402	3.707	50	50	EHGA	
O=C(CN1CCCCCCC1)N/N=C/c1ccc(Cl)cc1Cl	4832334	ZIRURYWMTWMCMX-YBFXNURJSA-N	342.270	3.710	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2cccc(Cl)c2)c(C(F)(F)F)c1	799747848	JNXUSEHMTJPZAV-UHFFFAOYSA-N	339.704	3.987	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1Cl	67785	XQKMEIFXCAEVTM-HNNXBMFYSA-N	328.799	3.791	50	50	EHGA	
CCc1cc(C(=O)NNC(=S)Nc2cc(C)ccc2C)cs1	8685699	MERNFCHRZVAFFP-UHFFFAOYSA-N	333.482	3.559	50	50	EHGA	
Cc1ccccc1C(=O)NNC(=O)C1CCC(c2ccccc2)CC1	296327	KFDXXHVFHVMXPA-UHFFFAOYSA-N	336.435	3.730	50	50	EHGA	
O=C1C[C@H](c2ccccc2)N(C(=O)CCCl)c2ccccc2N1	2025080	VAXKOWJBFYUAFB-MRXNPFEDSA-N	328.799	3.732	50	50	EHGA	
CC[C@H](NC(=O)/C(C#N)=C\c1nn(C)c(C)c1Cl)c1ccccc1	491085548	RBXKSGYVSATLLG-LTBFUDJGSA-N	342.830	3.556	50	50	EHGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2cccc(Cl)c2Cl)[nH]n1	263718	WGDLROGFMLWFMJ-QGMBQPNBSA-N	339.226	3.778	50	50	EHGA	
C/C(=N\NC(=O)c1ccc(Br)o1)c1cc2ccccc2o1	5516980	YUVMZYOFDDVGOY-RQZCQDPDSA-N	347.168	3.942	50	50	EHGA	
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1ccccn1	4997569	JEKFKWMBXTYVJN-LAMRRIJQSA-N	345.362	3.967	50	50	EHGA	
Cc1cc(O[C@H](C)C(=O)N/N=C/c2ccccc2C)ccc1Cl	370743	FQZWWWAAVTUHLX-XLTHYULKSA-N	330.815	3.874	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(Cl)cc1	66802	WDYBCSVEZBEZHB-OAHLLOKOSA-N	328.799	3.791	50	50	EHGA	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1ccccc1F)Sc1ccccc12	275204	ZIFDIILQRMIODK-KRWDZBQOSA-N	346.390	3.964	50	50	EHGA	
C/C(=N/NC(=O)C(c1ccccc1)c1ccccc1)c1ccccn1	375456	UBQWKZBWKZJBQL-KQWNVCNZSA-N	329.403	3.754	50	50	EHGA	
COc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc3ccccc3c2)cc1	12380319	QFFISAMJICLFFV-QQHUYRGFSA-N	348.402	3.766	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cc2ccccc2o1	434726	CXZSWNGQZDLATD-GIJQJNRQSA-N	343.726	3.758	50	50	EHGA	
COc1cccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)c1	4210382	WVBHXLSIOBVSTI-HYARGMPZSA-N	347.418	3.867	50	50	EHGA	
C[C@H](Cl)C(=O)NCc1nc2c(s1)C[C@@H](c1ccccc1)CC2	1875377906	QYLMLOKVMVMKSV-AAEUAGOBSA-N	334.872	3.659	50	50	EHGA	
O=C(CCl)Nc1nc(-c2ccc(Br)cc2)cs1	291883	YGEOBADTQIURFW-UHFFFAOYSA-N	331.622	3.750	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc2ccccc2c1	293389	WDPHEUAANZONJB-CWTRNNRKSA-N	330.387	3.901	50	50	EHGA	
CC(C)OC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5061192	UIIZWGVKZDOLOD-LCYFTJDESA-N	326.308	3.713	50	50	EHGA	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(Cl)cc1	446000	MMIBTTBALNTSNR-XFXZXTDPSA-N	327.727	3.794	50	50	EHGA	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC	4820154	WFBYFNBVYBZLFC-PTNGSMBKSA-N	329.359	3.648	50	50	EHGA	
O=C(CBr)c1cc(F)c(Cl)cc1Br	263622923	CDOJWEOJEKHKHB-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
Cc1cc2cc(C(=O)NNC(=O)c3cc4ccccc4o3)oc2cc1C	749474267	REHHNCOGBOXQJU-UHFFFAOYSA-N	348.358	3.871	50	50	EHGA	
O=C(N/N=C/c1cccs1)c1cc(-c2ccccc2Cl)n[nH]1	9329877	HKKMZRZEBCZPFL-RQZCQDPDSA-N	330.800	3.556	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccsc1	63010	KAXDTTXSQKCYPO-KBXCAEBGSA-N	348.427	3.957	50	50	EHGA	
Cc1cccc(/C=N/NC(=O)CSc2nc3ccccc3s2)c1	186697	SQPHFICAWWGEPY-VCHYOVAHSA-N	341.461	3.847	50	50	EHGA	
C[C@H](Cl)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3	1875363456	AVZVUEQWFFFBCK-STQMWFEESA-N	349.858	3.800	50	50	EHGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1cccc(Cl)c1)C(C#N)=C(N)O2	4613335	QXXYDBQLPQQOKN-LBPRGKRZSA-N	328.803	3.579	50	50	EHGA	
CCOc1ccc2c(c1)[C@@H]1/C(=[S+]/C)SS[C@@H]1C(C)(C)N2	4531886	SOZKNMLYMOBIJO-STQMWFEESA-N	326.532	3.979	50	50	EHGA	
CCCc1n[nH]c2c1[C@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2	616591	IJALQYROFIKJOI-CYBMUJFWSA-N	348.328	3.599	50	50	EHGA	
C[C@H](Oc1ccc(Br)cc1Br)C(=O)Cl	40451324	PBFBAJWNLKWKII-YFKPBYRVSA-N	342.414	3.744	50	50	EHGA	
O=C(CCc1ccccc1)N/N=C/c1ccc(Br)s1	62375	QVCKNFZWUKTDGF-MHWRWJLKSA-N	337.242	3.594	50	50	EHGA	
CCCCOc1ccc(/C=N/NC(=O)COc2ccc(C)cc2)cc1	3118542	IOOVACDYJZGGTN-KGENOOAVSA-N	340.423	3.703	50	50	EHGA	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@H]1Cc1ccccc1	549932	DFAQPLYCRBGMST-LBPRGKRZSA-N	334.404	3.551	50	50	EHGA	
COc1ccc(C(=O)N/N=C(\C)c2ccc(Cl)cc2)cc1OC	5621091	BSZMRVWPUDSFLW-YBFXNURJSA-N	332.787	3.511	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1cccs1	5353499	SIKGHESKEZBJTD-VCHYOVAHSA-N	344.827	3.946	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1	1875363434	AEDUSHUHOVXWCP-LRDDRELGSA-N	345.805	3.660	50	50	EHGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@@H]1c1cccc2ccccc12	241812	DNPGRIAWBOLCPK-SFHVURJKSA-N	348.402	3.875	50	50	EHGA	
CCCc1[nH]nc2c1[C@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	4730572	RCAZDAKUZRUBRG-CYBMUJFWSA-N	349.221	3.887	50	50	EHGA	
O=C(N/N=C/c1ccco1)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1	6813610	FOLVLJNFEXQEQI-QGMBQPNBSA-N	349.177	3.740	50	50	EHGA	
C/C(=N/NC(=O)CNc1ccc(C)cc1)c1ccc2c(c1)CCCC2	15938307	CFGPDJPGRNUYAN-KQWNVCNZSA-N	335.451	3.826	50	50	EHGA	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OC)c1	4582632	OLZDUDAXAKUUCC-BOPFTXTBSA-N	337.375	3.744	50	50	EHGA	
CC1(C)OB(c2ccnc(CO[Si](C)(C)C(C)(C)C)c2)OC1(C)C	198023451	HHPSYFYQUPVLNV-UHFFFAOYSA-N	349.356	3.903	50	50	EHGA	
COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccncc3)sc2c1	318063	SOVQDOMOSMBTOR-DJKKODMXSA-N	345.811	3.722	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)[C@@H](C)Cn2cnc3ccccc32)cc1	544477	HOFSJDNDSGLJDQ-PDYUXYPTSA-N	348.450	3.946	50	50	EHGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1ccc(O)cc1	8995502	WOKONWIJENVFOJ-INIZCTEOSA-N	336.416	3.664	50	50	EHGA	
O=C/C=C/C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102315581	LLKLKUYZOPFJPE-ZHACJKMWSA-N	331.375	3.736	50	50	EHGA	
Br[C@@H]1C[C@]23CC[C@@]2(CSC3)C[C@H]1Br	254628852	JVPIKUYAMFZXQP-IMSYWVGJSA-N	326.097	3.821	50	50	EHGA	
O=C(O)CCC(=NNC(=O)Nc1cccc(Cl)c1)c1ccccc1	245241463	FEDTXGXAFMZPML-UHFFFAOYSA-N	345.786	3.731	50	50	EHGA	
Cc1cc(C=NNC(=O)CC#N)c(C)n1-c1ccc(Cl)c(Cl)c1	15723719	GYECZSJVBLTVFM-UHFFFAOYSA-N	349.221	3.765	50	50	EHGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1	296599	ACGMQPXRVMJTKD-SFHVURJKSA-N	343.342	3.966	50	50	EHGA	
CC(C)c1cc(C(=O)N/N=C/c2c(Cl)cccc2Cl)[nH]n1	9013594	YGFGUQDXLAPEMW-REZTVBANSA-N	325.199	3.604	50	50	EHGA	
COC(=O)C12c3ccccc3C(c3ccccc31)[C@H](Cl)[C@H]2Cl	101037819	JGYHLATUNVJIFG-BNQMIIOLSA-N	333.214	3.819	50	50	EHGA	
CCc1c(C(=O)NNC(=S)Nc2cccc(C)c2)csc1C	374878	ANUOQPPCRDEDLK-UHFFFAOYSA-N	333.482	3.559	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1Br	3159093	JJMOWDITNLULJV-RQZCQDPDSA-N	337.604	3.866	50	50	EHGA	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1	3197189	SZXWHGDCUFXJLQ-HYARGMPZSA-N	346.386	3.735	50	50	EHGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(O)cc2)cc1	4229899	ISZIVZBYWBDBCD-FYJGNVAPSA-N	333.391	3.564	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccccc1C(F)(F)F	2821130	WCVAXWMKULZFOE-BJOHPYRUSA-N	348.324	3.766	50	50	EHGA	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccccn3)c2C)c1	448738	SNERZGGMZCFVMY-LPYMAVHISA-N	332.407	3.561	50	50	EHGA	
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(S)N1	4638243	LLYPMXKZDZQGNY-INIZCTEOSA-N	337.404	3.544	50	50	EHGA	
CC(=O)O[C@@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@H]1Cl	252586134	NSDMPHHLQXQISE-WCTZXXKLSA-N	348.617	3.861	50	50	EHGA	
COc1ccc(C(=O)N/N=C(/C)c2ccc(Br)cc2)cc1	4719292	ZVDODKPEJBFXGU-WQRHYEAKSA-N	347.212	3.612	50	50	EHGA	
O=C(CCC1CCCCC1)NNC(=O)NC12CC3CC(CC(C3)C1)C2	4652627	XAQUXTGDGUJRIF-UHFFFAOYSA-N	347.503	3.646	50	50	EHGA	
Cc1ccc(NC(=O)C2(CNC(=O)[C@H](C)Cl)CCCC2)cc1C	1875364470	RIVVUUNTRUYGCQ-AWEZNQCLSA-N	336.863	3.546	50	50	EHGA	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)o1	2755043	GMNKXSQSWMUSCC-DHZHZOJOSA-N	345.786	3.553	50	50	EHGA	
CC(C)(C)C[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3cccs3)c2C1	5295954	DIRURLNLPDPZTR-MKFNJMOCSA-N	344.484	3.776	50	50	EHGA	
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccc(C)cc1	5928001	YXPOIKXAILYFSQ-WOJGMQOQSA-N	347.212	3.617	50	50	EHGA	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)n[nH]1	4565567	NFAGMNCRJBCAPP-KEBDBYFISA-N	342.761	3.633	50	50	EHGA	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1	448767	HBNTWTLSIMNLKS-OEAKJJBVSA-N	346.434	3.815	50	50	EHGA	
C/C(CC[C@@H]1[C@](C)(O)CC[C@@H]2C(C)(C)CCC[C@@]12C)=N/NC(N)=O	229913705	YPWULSVTTBGBFG-WCGSRNRFSA-N	337.508	3.804	50	50	EHGA	
N[C@@H]1CCCc2cccc(P(c3ccccc3)c3ccccc3)c21	100005952	KTWOFTBMHDQUEE-HXUWFJFHSA-N	331.399	3.781	50	50	EHGA	
CC(C)(C)OC(=O)N/N=C\c1ccc(OC(=O)c2cccs2)cc1	32632338	UCNGVWLCURJONK-WQRHYEAKSA-N	346.408	3.826	50	50	EHGA	
C/C(=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1)c1ccccc1	5494525	WTMAJWXAFYUGIS-FYJGNVAPSA-N	343.814	3.599	50	50	EHGA	
O=S(=O)(c1ccc(N=C=S)cc1)c1ccc(N=C=S)cc1	1725951	PQCJXOVOHXALIO-UHFFFAOYSA-N	332.431	3.988	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cccnc1	437219	SYSVOVIFURWVHU-RGVLZGJSSA-N	325.755	3.759	50	50	EHGA	
O=C(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)[C@@H](F)Cl	2325901372	BGKLYQDWYMKHQN-SNVBAGLBSA-N	330.146	3.740	50	50	EHGA	
Cc1cccc(OCC(=O)N/N=C/c2ccc3ccccc3c2O)c1C	355602	NFNQBMUQJDRWKM-WSDLNYQXSA-N	348.402	3.691	50	50	EHGA	
Cc1scc(C(=O)N/N=C/c2ccc(Br)s2)c1C	2777294	IORSFQRZVPOOOX-LHHJGKSTSA-N	343.271	3.953	50	50	EHGA	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/[C@@H]1CC=CCC1	4989750	QJXDFDPTTWKSHT-PBFYJAPKSA-N	327.211	3.831	50	50	EHGA	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N/N=C1/C[C@@H]2C=CC[C@@H]12	226292886	HRBVLWOKJJRCCI-NENYGTFFSA-N	339.222	3.829	50	50	EHGA	
CC(C(=O)Oc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F	2286764	IBZWHKZBNYXNDW-UHFFFAOYSA-N	331.168	3.631	50	50	EHGA	biogenic
COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCl)cc1	507561	OJQCBOLVUZALMV-AWEZNQCLSA-N	334.828	3.673	50	50	EHGA	
CC[C@@H](Nc1ccc(OC)cc1)C(=O)NN=C(C)c1ccc(C)cc1	245240013	NVGBOKGNNSZOAP-LJQANCHMSA-N	339.439	3.735	50	50	EHGA	
C/C=C1\C[N@+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14	252441290	NNGQLOSIKGOGJJ-DRNCFLGPSA-O	335.471	3.782	50	50	EHGA	biogenic
CC(C)(C)OC(=O)N1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)OCCl	675060152	BPPUYCWZQCMMHK-UONOGXRCSA-N	345.867	3.932	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2cc(F)cc(F)c2)c(C(F)(F)F)c1	799749037	KJVGFRICXPPUCS-UHFFFAOYSA-N	341.239	3.612	50	50	EHGA	
C=CCOc1ccccc1/C=C(\C#N)c1nc(O)c2ccccc2n1	4170185	WMYRASUQACGWGS-NTCAYCPXSA-N	329.359	3.964	50	50	EHGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccc(Cl)s2)n[nH]1	6493952	IWRXTXZQDFLTTN-RQZCQDPDSA-N	330.800	3.556	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(Cl)c1Cl	292275	YXWCVXDZDUUMES-AWEZNQCLSA-N	333.174	3.917	50	50	EHGA	
CCCOc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3)[nH]n2)cc1	4746381	YJJCDSAASKUZND-KGENOOAVSA-N	348.406	3.629	50	50	EHGA	
O=C(N/N=C/C(Br)=C/c1ccccc1)c1ccccc1O	433480	IJZILDJVOPMMJT-CGZFJWOTSA-N	345.196	3.544	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2F)[C@H]2CCCC=C12	63006	NXLVZIFMMFJTLF-GUYCJALGSA-N	336.345	3.558	50	50	EHGA	
O=C(Cc1cccs1)N/N=C/C(Br)=C/c1ccccc1	136873	ADEAVHOROOIQPD-BMWMMMPHSA-N	349.253	3.829	50	50	EHGA	
CC(C)[C@@H]1C(C#N)=C(N)Oc2[nH]nc(CSc3ccccc3)c21	8566958	KVRSCHYOIVGBLT-CQSZACIVSA-N	326.425	3.528	50	50	EHGA	
CC(C)(C)[Si](O[C@@H]1C=COCC1)(c1ccccc1)c1ccccc1	169830914	VITJUIBFIHDVRT-GOSISDBHSA-N	338.523	3.866	50	50	EHGA	
CC(C)(C)C[C@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccccc3)c2C1	5295966	VOMOPMPYGWUDNT-PCXKXAPESA-N	338.455	3.715	50	50	EHGA	
COc1ccccc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	510680	GXNMWONSLWIGIL-CIAFOILYSA-N	340.423	3.656	50	50	EHGA	
O=C(CCCC[C@H]1CCSS1)N[C@H](CO)c1ccccc1	182589206	YMQZRZJZVVDSSN-LSDHHAIUSA-N	325.499	3.550	50	50	EHGA	biogenic
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H](C)Cl	1875364674	PXIOQJMXDDTTDQ-ZYHUDNBSSA-N	332.275	3.792	50	50	EHGA	
C=CCc1cccc(/C=N/NC(=O)Cc2cccc3ccccc23)c1O	301137	MJTXGOZRXPVXJO-HZHRSRAPSA-N	344.414	3.967	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCC[C@@H]1[C@H]1CCCN(Cc2ccccc2)C1	1875363614	MTOVCKVJLOUBDA-RYQLBKOJSA-N	334.891	3.517	50	50	EHGA	
Cc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-]	5092760	DVWPVNDUWXLSHA-VKDJDKKASA-N	327.384	3.505	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	242030	FGOAGEWDFCQCER-HNNXBMFYSA-N	346.814	3.765	50	50	EHGA	
Cc1c(C)c(C)c(-c2cc3c(cc(C(=O)NN)n3C)o2)c(C)c1C	409417	MIVLQBYPVBGUNE-UHFFFAOYSA-N	325.412	3.584	50	50	EHGA	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1c(O)ccc2ccccc12	37246179	OMKSERWDMBPLOF-XKZIYDEJSA-N	330.387	3.798	50	50	EHGA	
C/C(=N\NC(=O)c1ccccc1Br)c1ccc(C)cc1	1434837	WYWVBUSLDKWHJC-LDADJPATSA-N	331.213	3.912	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)c1ccccc1	5353432	CBRISDPAYCPYAT-UDWIEESQSA-N	338.798	3.884	50	50	EHGA	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(O)cc1	565812	MQYUPYFLZNBNGV-HYARGMPZSA-N	346.386	3.588	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccs1	197070	QULNWUQQUXAQEX-KRWDZBQOSA-N	325.437	3.812	50	50	EHGA	
Cc1ccccc1[C@@H]1C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1	274848	FSWTZHXFPXWQOE-LJQANCHMSA-N	342.402	3.707	50	50	EHGA	
CCCOC(=O)Oc1c([C@@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	104126808	WPEWSDBYVOYNBL-VIFPVBQESA-N	326.305	3.942	50	50	EHGA	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc([N+](=O)[O-])cc1	32609431	SKOSLWDORPNKBI-NDENLUEZSA-N	349.346	3.521	50	50	EHGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc(-n3cccc3)cc2)c1C	17072372	ZKTZEENPNTZVTD-UHFFFAOYSA-N	348.406	3.561	50	50	EHGA	
Cc1cc(-c2nnc(CCl)o2)c(C)cc1-c1nnc(CCl)o1	336512	LIPKHVQDCWBSBA-UHFFFAOYSA-N	339.182	3.881	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)COc2ccccc2Cl)cc1	94433	MEYVKYCQTQFAGZ-RGVLZGJSSA-N	330.815	3.993	50	50	EHGA	
CON1CCC(CC(=O)NN(c2ccccc2)c2ccccc2)CC1	820699978	SBXHTHTZRRRFJA-UHFFFAOYSA-N	339.439	3.519	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccc(F)cc1	205408	VVAIKMXADATXRO-IBGZPJMESA-N	337.398	3.890	50	50	EHGA	
COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1O	406046	NRZBLCNGCYRAGN-SFHVURJKSA-N	338.407	3.528	50	50	EHGA	
COc1cc(/C=C(\C#N)c2ccc(C#N)cc2)c([N+](=O)[O-])cc1OC	582260	LILGWRJUYSTYIO-VIZOYTHASA-N	335.319	3.548	50	50	EHGA	
CCN(CC)c1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	1942885	XSJJUDZLKCGJKT-XMHGGMMESA-N	340.448	3.871	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1cccc(Br)c1	362257	HQEYTQZPRUVXEC-RQZCQDPDSA-N	337.604	3.866	50	50	EHGA	
CC(C)(C)C1=CC(=NNC(=O)c2ccncc2)C=C(C(C)(C)C)C1=O	100365633	HCSMEIDSTDGNNY-UHFFFAOYSA-N	339.439	3.695	50	50	EHGA	
COC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)CCl	2584859	HYLAWGDBLINLHM-UHFFFAOYSA-N	337.828	3.996	50	50	EHGA	
O=C(NCC1CCCCC1)c1cccc(-c2noc(CCl)n2)c1	34924935	ZBYPUNXFMLRTDI-UHFFFAOYSA-N	333.819	3.786	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc2ccccc12	242269	CZVMJFYMTMAJEL-CWTRNNRKSA-N	330.387	3.901	50	50	EHGA	
CCOc1ccc([C@@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	28029	BMSKLZWUUHXDNT-IEBWSBKVSA-N	344.418	3.679	50	50	EHGA	
Cc1cc(/C=N/NC(=O)CC#N)c(C)n1-c1cc(Cl)ccc1Cl	447669	AIDAREHTUCSONH-AWQFTUOYSA-N	349.221	3.765	50	50	EHGA	
CCCCOc1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	1952619	NLJPALZRKLBLCY-UHFFFAOYSA-N	346.814	3.594	50	50	EHGA	
O=C(N/N=C/c1cc2ccccc2nc1Cl)c1cccc(F)c1	298791	UWTFHYPUAQRBFI-KEBDBYFISA-N	327.746	3.791	50	50	EHGA	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccccc1O	116339	KZQVVVKGPPAFHG-HYARGMPZSA-N	346.386	3.735	50	50	EHGA	
O=C(NNc1nc(-c2ccncc2)no1)c1cccc(C2CCCC2)c1	825303687	LJRAWXKBDHKQFW-UHFFFAOYSA-N	349.394	3.546	50	50	EHGA	
CCOc1cc(/C=N/NC(=O)c2csc3ccccc23)ccc1O	371624	KIMRUCIRRKLFCO-VXLYETTFSA-N	340.404	3.770	50	50	EHGA	
O=C(CCl)c1cc(Br)c(F)c(Br)c1	263625340	YXFZURLLATVUIN-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
CCOC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	220966423	NLNDKRHRJVISPZ-YBFXNURJSA-N	332.787	3.999	50	50	EHGA	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c1	441266	WBBRTBHZTSRLGE-LPYMAVHISA-N	332.407	3.561	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc([N+](=O)[O-])c1	59414	KWIKGAAXPCUUIH-CAOOACKPSA-N	338.150	3.666	50	50	EHGA	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)cc1C	441280	OHMCIYPRGQJLEW-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
N#CC1=C(N)Oc2ccc3ccccc3c2[C@@H]1c1cccc([N+](=O)[O-])c1	19079	PYIXQVYMJDILFL-GOSISDBHSA-N	343.342	3.966	50	50	EHGA	
NC(=O)N/N=C/c1cc(CSc2nc3ccccc3s2)cs1	4718129	CIPMSXHDIONVGR-OMCISZLKSA-N	348.478	3.652	50	50	EHGA	
COc1ccc(NC(=O)/C(C#N)=C/C(C)=C/c2ccco2)c(OC)c1	17070974	OXGXHFOOWVJYIY-JUCMHCFKSA-N	338.363	3.789	50	50	EHGA	
CCc1ccc(-c2cc(C(=O)NN)c3cccc(Cl)c3n2)cc1	6124350	ZSRQOAPJMSSEED-UHFFFAOYSA-N	325.799	3.721	50	50	EHGA	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccccc1O	48322	XGXPZKWDUFSYRV-HYARGMPZSA-N	346.386	3.735	50	50	EHGA	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(Br)c1	245226687	ILBXUJRFLDGOKY-FHVBXRPFSA-N	335.245	3.726	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1C(F)(F)F	292251	WCVAXWMKULZFOE-PSLIRLAXSA-N	348.324	3.766	50	50	EHGA	
C[C@H](NC(=O)c1ccccc1NC(=O)CCCl)c1ccccc1	5672051	AUKJBEHWPITLSM-ZDUSSCGKSA-N	330.815	3.745	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(C)cc1	6813094	QAGYGVFONLLDNP-CPNJWEJPSA-N	338.436	3.909	50	50	EHGA	
Cc1ccccc1OCC(=O)NN=C1c2ccccc2-c2ccccc21	45068454	DLFBBTQZIRUJPY-UHFFFAOYSA-N	342.398	3.923	50	50	EHGA	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1O	565810	DDVLYWNMCHQKCQ-HYARGMPZSA-N	346.386	3.588	50	50	EHGA	
CCNC(=O)NN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1	2143202	BNQSRRAUXZWLPP-UHFFFAOYSA-N	332.791	3.613	50	50	EHGA	
C[C@H]1CCc2sc(C(=O)NNC(=O)CC3=CCCCC3)cc2C1	170622624	AWIYQZSNIWZTJE-LBPRGKRZSA-N	332.469	3.524	50	50	EHGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Cl)cc1	93701	WVTFDWVYOVRJFH-VSMYLPJWSA-N	337.206	3.911	50	50	EHGA	
CCOP(=O)(OCC)[C@@H](NC(=O)C(C)(C)C)C(Cl)Cl	1857800300	RMOSHAAITDMQMP-SECBINFHSA-N	334.180	3.545	50	50	EHGA	
N#C/C(=C/c1cccc(O)c1)C(=O)Nc1cccc(Br)c1	15745676	YJHMCXWWVBQWCC-GHXNOFRVSA-N	343.180	3.700	50	50	EHGA	
CCOc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1	72093	XKKAIBYYRMYTMT-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
COc1ccc(C(=O)N/N=C/c2cc3ccccc3nc2Cl)cc1	3182344	OHURLSHXPZZJCC-RGVLZGJSSA-N	339.782	3.661	50	50	EHGA	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC[C@@]2(O)C#N	257346633	XHDBQDNRWFJOBU-VQGLPFKNSA-N	329.484	3.955	50	50	EHGA	
CCCCOc1ccc(/C=N/NC(=O)COc2cccc(C)c2)cc1	3118532	XGKGVKWUUYPNEC-KGENOOAVSA-N	340.423	3.703	50	50	EHGA	
CCOC(=O)c1cc2cc(N(CCCl)CCCl)ccc2o1	139611497	NXNIZRQUQWIASC-UHFFFAOYSA-N	330.211	3.894	50	50	EHGA	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1	5059312	QGHSVDVXQBLGAR-NTEUORMPSA-N	340.766	3.892	50	50	EHGA	
CCCc1cc(C(=O)NNC(=S)N[C@@H](C)c2ccccc2)cs1	8671814	CSYZIXIRNFIWDE-LBPRGKRZSA-N	347.509	3.571	50	50	EHGA	
O=C(N/N=C\c1ccc(F)cc1)[C@H](c1ccccc1)N1CCCCC1	96316580	YTOQJEPIPZIRAY-UQRWVXEISA-N	339.414	3.503	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccs1	51323	GEMOXYJUYDPQOV-ACJLOTCBSA-N	348.427	3.957	50	50	EHGA	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1O	265705	GAMWEVNMFVEOOG-SWEABUAFSA-N	336.391	3.575	50	50	EHGA	
C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(C#N)cc1	12342716	HIEMBSINFATNIN-YVLHZVERSA-N	329.315	3.543	50	50	EHGA	
O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccs1	72860	XZRHAUPXEHCGFW-VOANPMSRSA-N	335.226	3.900	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1	8898874	ADQRTZMAHKBHNR-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
COc1ccc(Cl)cc1C(=O)N/N=C\c1ccc(OC(C)C)cc1	32573601	GQXRDNVNYVNCCE-JAIQZWGSSA-N	346.814	3.900	50	50	EHGA	
N#C/C(=C\c1ccccc1OCC1CC1)c1nnc2n1CCCCC2	222145633	MWPGABBSOKVURY-SFQUDFHCSA-N	334.423	3.857	50	50	EHGA	
C/C(=N\NC(=O)N=c1cc[nH]cc1)c1ccc2c(c1)-c1ccccc1C2	1875252956	WBABDQWWSCXWLO-ZVHZXABRSA-N	342.402	3.620	50	50	EHGA	
COc1cccc(/C=N/NC(=O)[C@@H](C)Oc2cccc3ccccc23)c1	4956223	AIAUGAYQEZTIGT-QQHUYRGFSA-N	348.402	3.766	50	50	EHGA	
O=C(N/N=C(\c1ccccc1)[C@H](O)c1ccccc1)c1ccccc1	42784422	OQZHQQZPEZMINH-QWODIWHTSA-N	330.387	3.554	50	50	EHGA	
COc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c(OC)c1	6736142	IQMNERYJRJUSJP-UKTHLTGXSA-N	347.374	3.731	50	50	EHGA	
C/C(=N\NC(=O)CSc1nc2ccccc2s1)c1ccco1	12599522	QQTALBIAEVXTTG-LICLKQGHSA-N	331.422	3.522	50	50	EHGA	
O=C(c1ccccc1)c1cc(Cl)ccc1-n1cnnc1CCl	38613510	KBWXJZXYNPXORC-UHFFFAOYSA-N	332.190	3.891	50	50	EHGA	
C[C@@H](Cl)C(=O)N[C@@H](Cn1cnc2ccccc21)c1ccc(F)cc1	1875363436	AEDUSHUHOVXWCP-WBMJQRKESA-N	345.805	3.660	50	50	EHGA	
O=C(NN=Cc1ccc2c(c1)CCC2)c1c(O)ccc2ccccc12	4582330	OMKSERWDMBPLOF-UHFFFAOYSA-N	330.387	3.798	50	50	EHGA	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)s1	2325809518	DSXQXVHHFPCWOK-UHFFFAOYSA-N	347.871	3.783	50	50	EHGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2cccc(Cl)c2)cc1	298943	MLSDZZKXTSQNRF-UHFFFAOYSA-N	330.815	3.712	50	50	EHGA	
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(CCCO2)[C@@]2(CCCO2)C1=O	169834158	CGOFNONQBVUREP-BMGDILEWSA-N	340.536	3.838	50	50	EHGA	
C[C@@H](Cl)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1	1875380635	USYVWPGLLRNAIQ-ABAIWWIYSA-N	344.833	3.624	50	50	EHGA	
O=C(O)C[P+](Cc1ccccc1)(c1ccccc1)c1ccccc1	100697396	IVHMQLCRSCLFBX-UHFFFAOYSA-O	335.363	3.940	50	50	EHGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc(OC(C)C)cc2)c1C	17071394	NMBJGKGSPYEIRX-UHFFFAOYSA-N	341.411	3.557	50	50	EHGA	
O=C(CCl)N1CCN([C@H](c2ccccc2)C2CCCCC2)CC1	1875387010	JDEVBATVXNYFFP-LJQANCHMSA-N	334.891	3.691	50	50	EHGA	
Cc1ccccc1NC(=S)NNC(=O)c1csc2c1CCCC2	374658	DLVNXGZPDOIXOZ-UHFFFAOYSA-N	345.493	3.567	50	50	EHGA	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1O	446187	OFUHQHSQUQGJOW-UKTHLTGXSA-N	342.782	3.908	50	50	EHGA	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1	5349948	KMYVRTADMDJNFR-KGENOOAVSA-N	348.406	3.548	50	50	EHGA	
IC1CN(C(c2ccccc2)c2ccccc2)C1	64270014	IBCVAYQWXMWFLD-UHFFFAOYSA-N	349.215	3.895	50	50	EHGA	in-vitro
O=C(CCl)c1cc(F)c(Br)c(Br)c1	263625042	WGAXCPNFCFDKNY-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1	1875378229	XVNADBLDSTYPQI-RVBZMBCESA-N	336.646	3.815	50	50	EHGA	
CC1=C(C#N)[C@H](c2ccccc2[N+](=O)[O-])C2=C(CC(C)(C)CC2=O)N1	19912811	OJRFMIFSJAAETE-KRWDZBQOSA-N	337.379	3.722	50	50	EHGA	
C/C(=N\NC(=O)c1cc(Br)c[nH]1)[C@H]1C[C@@H]1c1ccccc1	222155330	UBCHSQAZRQJZLH-IGUNNGOCSA-N	346.228	3.687	50	50	EHGA	
Cc1ccc(S(=O)(=O)/C(C#N)=C(\S)Nc2ccccc2)cc1	2561502	MIJSCVNDACPPNG-NXVVXOECSA-N	330.434	3.503	50	50	EHGA	
CC(/C=N/NC(=O)c1cc(-c2ccc(C)o2)n[nH]1)=C\c1ccccc1	13114146	OOLXVJIAQXPRMR-TVXDCWTGSA-N	334.379	3.797	50	50	EHGA	
O=C(NN=C1CCCCCC1)C(O)(c1ccccc1)c1ccccc1	295821	CVDYVYURYFAYBC-UHFFFAOYSA-N	336.435	3.749	50	50	EHGA	
CC(/C=N/NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)=C\c1ccco1	5317873	ZNFMNUVNPANZGA-LRTDHGKOSA-N	334.379	3.797	50	50	EHGA	
CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(Cc2ccccc2)N1	20069920	VQWYCAFJGJHWDY-UHFFFAOYSA-N	347.262	3.892	50	50	EHGA	
CCC(=O)N/N=C\c1cccc(OC)c1OC/C=C/c1ccccc1	20573230	DMBRIIJDZZOVNN-HDGFSFRLSA-N	338.407	3.648	50	50	EHGA	
COc1cc(OC)c([N+](=O)[O-])cc1/C=C(/C#N)c1ccc(C#N)cc1	16194722	ALJDGQVZFBDOPI-CHHVJCJISA-N	335.319	3.548	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	71021	ZFFGNZHRTCYOGY-OAHLLOKOSA-N	346.814	3.765	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(C(F)(F)F)c1	241701	UBQFFYVCHZQQPD-BJOHPYRUSA-N	348.324	3.766	50	50	EHGA	
FC(F)(F)C(I)(CCl)C(F)(F)F	2576916	QZSSUYHNDADQHZ-UHFFFAOYSA-N	326.405	3.524	50	50	EHGA	in-vitro
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)s3)n[nH]2)cc1	54110	FQPDEHRQQRYLBN-GIJQJNRQSA-N	344.827	3.864	50	50	EHGA	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(N)=S	75931	AZEGIQDUJDJEQB-VMPITWQZSA-N	333.756	3.701	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(C(F)(F)F)cc1	207475	HHRPPUHPGIEHOV-HNNXBMFYSA-N	331.297	3.506	50	50	EHGA	
COc1ccc(-c2c(NC(=O)CCl)oc3ccccc3c2=O)cc1	11765499	FXJJJMJFVKLEPW-UHFFFAOYSA-N	343.766	3.646	50	50	EHGA	
O=C(CCl)c1c(F)ccc(Br)c1Br	263623599	IXNFGYOQPKWKNC-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
CC(C)c1cc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)[nH]n1	233037	MITSCXXXVHHGFL-REZTVBANSA-N	325.199	3.604	50	50	EHGA	
C/C(=N\NC(=O)c1cc(Br)c[nH]1)[C@@H]1C[C@@H]1c1ccccc1	222155276	UBCHSQAZRQJZLH-XMCIWJFMSA-N	346.228	3.687	50	50	EHGA	
CC(/C=N/NC(=O)[C@H](C)Oc1ccc(C#N)cc1)=C\c1ccccc1	2102329	CFVAODYKGOXNOC-GYFTYFBASA-N	333.391	3.531	50	50	EHGA	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc1	182793	HKFFVCRRRLKMBY-GOSISDBHSA-N	337.448	3.693	50	50	EHGA	
Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccsc2)C(C#N)=C(N)O3)cc1	426239	ZAEJLQXNKYASEU-AWEZNQCLSA-N	334.404	3.665	50	50	EHGA	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	5740632	CJIKUCIPVGTTEG-AWQFTUOYSA-N	336.222	3.864	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1)c1cc(-c2cccs2)n[nH]1	5296927	JBKGEGYQWNGYDH-RQZCQDPDSA-N	330.800	3.556	50	50	EHGA	
C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)CCCC2	431861	LKRRPLYOSDWLIH-MOSHPQCFSA-N	337.379	3.628	50	50	EHGA	
CC1=C(C#N)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	19760507	BEXNDNPDIUTLCK-LJQANCHMSA-N	335.451	3.880	50	50	EHGA	
C[C@H](Cl)C(=O)N1C[C@@H](c2cccc(C(F)(F)F)c2)OC[C@H]1C	1875378255	YFEPBHNFIFULRV-NRUUGDAUSA-N	335.753	3.621	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccsc1	63009	KAXDTTXSQKCYPO-RDTXWAMCSA-N	348.427	3.957	50	50	EHGA	
O=C(CCn1c2c(c3ccccc31)CCCC2)N/N=C/c1ccco1	181666	FXXQMJXQESCTGB-KGENOOAVSA-N	335.407	3.654	50	50	EHGA	
O=C(N/N=C/c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1	8462816	CITVCHGKHVVKLD-UDWIEESQSA-N	330.347	3.587	50	50	EHGA	
COc1ccc(Cl)cc1C(=O)N/N=C\c1c(C)[nH]c2ccccc12	4615029	CVFTZLMZAJCJAG-JMIUGGIZSA-N	341.798	3.902	50	50	EHGA	
Cc1nc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)co1	97976862	ZJVSKJUDAHFHAO-UHFFFAOYSA-N	344.374	3.602	50	50	EHGA	
Cc1ccccc1C(=O)NNC(=O)Cc1ccc(-c2ccccc2)cc1	299585	TWPJOAMLJYAJMU-UHFFFAOYSA-N	344.414	3.666	50	50	EHGA	
COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCl)cc1	507560	OJQCBOLVUZALMV-CQSZACIVSA-N	334.828	3.673	50	50	EHGA	
O=C(Cc1ccc(Cl)cc1)NNc1nc2ccc(F)cc2s1	1776111240	HXPHOAXCHHHFLO-UHFFFAOYSA-N	335.791	3.775	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)cc2)C=C1c1ccccc1	352175	BCWUGRKGIOOXMN-IBGZPJMESA-N	340.361	3.776	50	50	EHGA	
O=C(CCCl)Nc1c(Br)cccc1Br	4827648	IRCJWWYCSIYTQY-UHFFFAOYSA-N	341.430	3.779	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1	1875378227	XVNADBLDSTYPQI-IGJMFERPSA-N	336.646	3.815	50	50	EHGA	
O=C(CCn1cnc2ccccc21)N/N=C/c1cccc2ccccc12	551364	KSVXGBPLFNVYIW-OEAKJJBVSA-N	342.402	3.730	50	50	EHGA	
CCCN1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	368596	VAVCJBLOELTFBO-UHFFFAOYSA-N	328.243	3.585	50	50	EHGA	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1N1CCCC1	454506	FSHUYFWRORVYSP-NBVRZTHBSA-N	337.467	3.951	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1	1875363534	IFFQJISCDBHFCC-NHYWBVRUSA-N	335.810	3.897	50	50	EHGA	
Cc1ccc(C(=O)NNC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	6211505	ZOGMGQQGPMQYAL-VQHVLOKHSA-N	349.217	3.776	50	50	EHGA	
O=C(CBr)c1ccc(Br)c(Cl)c1F	307338409	SLOAGDJFMLZMAA-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1cc(-c2ccco2)n[nH]1	5297592	NTEGAQXFMYMDGL-QGMBQPNBSA-N	349.177	3.740	50	50	EHGA	
O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@H]1C[C@@H]1c1ccccc1	55072154	AGBFFRHYADLRCV-RTWAWAEBSA-N	347.462	3.558	50	50	EHGA	
O=C(CCl)c1ccc(F)c(Br)c1Br	263623076	DLPHVUWSZIIWQY-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1	44175	CLOCBMJTOFFBBL-XDHOZWIPSA-N	335.319	3.619	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccccc1C(F)(F)F	292254	WCVAXWMKULZFOE-VFZGTOFNSA-N	348.324	3.766	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cc1	6813101	NHXNQPUMOONGPV-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)o1	31833853	XMJHCPJGJRTBBD-OWBHPGMISA-N	339.395	3.680	50	50	EHGA	
Cc1nc(CN(CCc2ccc(Cl)cc2)C(=O)CCl)cs1	1875382828	SXQXZXLTXHRXNZ-UHFFFAOYSA-N	343.279	3.915	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1cccc(C(F)(F)F)c1	292740	GPSVOIMROLVWKL-OAHLLOKOSA-N	332.281	3.629	50	50	EHGA	biogenic,in-vitro
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl	43595	KTIWQDVFXBVHCJ-CQSZACIVSA-N	335.190	3.808	50	50	EHGA	
O=C(CCCCCCCC(=O)NN=C1CCCC1)NN=C1CCCC1	5494807	HXDLMDYTQVIGBW-UHFFFAOYSA-N	348.491	3.810	50	50	EHGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1cccc(O)c1	8994571	UMNKJKWLTTUYDX-INIZCTEOSA-N	336.416	3.664	50	50	EHGA	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@@H]2C1	222397502	NBOFPVQICDKUMJ-CDHAZOANSA-N	332.382	3.665	50	50	EHGA	
O=C(CCl)N[C@H](CCOc1ccccc1)c1ccc(F)cc1F	1875383676	BWSHPCVULGPVOS-MRXNPFEDSA-N	339.769	3.830	50	50	EHGA	
O=C(Cc1ccc(CBr)cc1)OCC(=O)c1ccccc1	120558	BUQPIKAEKYNDAS-UHFFFAOYSA-N	347.208	3.550	50	50	EHGA	in-vitro
CCCN(CCC)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1	2831739	NWUHGODIHLYTGB-RCCKNPSSSA-N	339.439	3.783	50	50	EHGA	
O=C(N/N=C/c1ccco1)c1cc(-c2cccc3ccccc23)[nH]n1	8577978	WJVGBOZDPMWXFY-UDWIEESQSA-N	330.347	3.587	50	50	EHGA	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1ccccc1F)Sc1ccccc12	275206	ZIFDIILQRMIODK-QGZVFWFLSA-N	346.390	3.964	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@H](c2ccc(CC)cc2)C(C#N)=C(N)O1	293277	ZJGQCLZQBYKUBD-QGZVFWFLSA-N	340.423	3.674	50	50	EHGA	
OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F	16158743	LVLBRKWIJOFEHS-UHFFFAOYSA-N	337.057	3.894	50	50	EHGA	in-vitro
CCc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1O	813561227	ULQDPTIKQRDRAU-UHFFFAOYSA-N	349.312	3.602	50	50	EHGA	
C=CC[C@@H](C(=O)NNC(=O)[C@H](CC=C)c1ccccc1)c1ccccc1	2173723	CICHDABFBXKVQH-WOJBJXKFSA-N	348.446	3.854	50	50	EHGA	
CCCCOc1ccc(OCC(=O)NN=C2CCC(C)CC2)cc1	4372754	UTFGQIBRYZIHDE-UHFFFAOYSA-N	332.444	3.927	50	50	EHGA	
FC(F)(Br)[C@](F)(Br)CCBr	63148362	YRQSISPSGIETOP-VKHMYHEASA-N	348.782	3.820	50	50	EHGA	
Cc1cc2nc(-c3ccc(CNC(=O)CCl)cc3)[nH]c2cc1C	1323269279	KYIROCBKJCFWPS-UHFFFAOYSA-N	327.815	3.702	50	50	EHGA	
N#Cc1cc(/C(C=O)=C(\Cl)c2ccccc2)c([N+](=O)[O-])cc1C#N	1775938100	BLXVQSUBRDHYML-ICFOKQHNSA-N	337.722	3.644	50	50	EHGA	
O=C(COc1ccc(F)cc1)N/N=C/c1c(Cl)cccc1Cl	220029	QDHGTZOCAZTLBH-UFWORHAWSA-N	341.169	3.662	50	50	EHGA	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1ccccc1	290571	SIZRQJDACJEPGH-UHFFFAOYSA-N	330.796	3.630	50	50	EHGA	
O=C(N/N=C/c1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1	65342	WYRHENFIZJNWNI-CAOOACKPSA-N	338.150	3.666	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@@H]2CCCC=C12	63003	NXLVZIFMMFJTLF-CXAGYDPISA-N	336.345	3.558	50	50	EHGA	
COc1cc(/C=C(\C#N)c2cccc(C#N)c2)c([N+](=O)[O-])cc1OC	2891114	QQRCWQUSGYAZIT-VIZOYTHASA-N	335.319	3.548	50	50	EHGA	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CCC[C@@]2(O)C#N	257346632	XHDBQDNRWFJOBU-OKCDGQADSA-N	329.484	3.955	50	50	EHGA	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)[C@H](O)c1ccccc1	438558	QLBQCZCYDFGNJX-INKLHFNDSA-N	346.386	3.663	50	50	EHGA	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	5073176	RYPGSTAOFPNIEE-XYOKQWHBSA-N	327.727	3.794	50	50	EHGA	
Cc1cccc(NC(=O)CCC(=O)N/N=C/c2ccc(Cl)cc2)c1	5548196	LXNFIROXAVEUFO-UDWIEESQSA-N	343.814	3.517	50	50	EHGA	
CCOc1ccc2c(c1)[C@H]1C(SC)=[S+]S[C@@H]1C(C)(C)N2	6387672	SOZKNMLYMOBIJO-OLZOCXBDSA-N	326.532	3.979	50	50	EHGA	
C[C@@H](Cl)C(=O)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1	1875363533	IFFQJISCDBHFCC-IAQYHMDHSA-N	335.810	3.897	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(Cl)cc1Cl	48838	SWNKCWLKLUQSMC-OAHLLOKOSA-N	333.174	3.917	50	50	EHGA	
O=C(N/N=C/c1cccc(Cl)c1)c1c[nH]nc1-c1cccs1	6382846	LCISRZDDTKPAQL-CAOOACKPSA-N	330.800	3.556	50	50	EHGA	
CCOC(=O)C1=C(CC)OC(N)=C(C#N)[C@H]1c1cccc2ccccc12	241814	DNPGRIAWBOLCPK-GOSISDBHSA-N	348.402	3.875	50	50	EHGA	
CCCOc1cnc(SSc2ncc(OCCC)cn2)nc1	4529656	MASYOQKIGFWZRH-UHFFFAOYSA-N	338.458	3.644	50	50	EHGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(CC)cc3)n[nH]2)cc1	5353966	WKAQCOXIYSSEJS-HYARGMPZSA-N	346.434	3.965	50	50	EHGA	
CCCCC(=O)N/N=C/c1ccc(OC(=O)c2ccc(C)cc2)cc1	253471021	KHBMBGFZLQBGGA-KGENOOAVSA-N	338.407	3.855	50	50	EHGA	
O=C(N/N=C/c1cccc(-c2ccncc2)c1)c1c[nH]c2ccccc12	1875264714	RLCYDDHZJPWOAD-ZMOGYAJESA-N	340.386	3.994	50	50	EHGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	305022	BDVPDIBRYBBXEO-JXMROGBWSA-N	346.726	3.978	50	50	EHGA	
CCCCCCCC(=O)NNC(=O)c1cccc(Br)c1	2756071	LZXVDRNYGUVRGQ-UHFFFAOYSA-N	341.249	3.571	50	50	EHGA	
Cc1cc(C)cc(NC(=S)NNC(=O)c2csc(C)c2C)c1	6571463	WBTRSJMMCKAENR-UHFFFAOYSA-N	333.482	3.613	50	50	EHGA	
COc1ccc([C@H]2C(C#N)=C(N)Oc3ccc4ccc(O)cc4c32)cc1	221530712	LBBACSXDCQZRLS-IBGZPJMESA-N	344.370	3.772	50	50	EHGA	
Cc1ccc(S(=O)(=O)N=[S@@](=O)(F)c2ccc(Cl)cc2)cc1	1776011422	ZKSTYVIGFNZFRW-FQEVSTJZSA-N	347.820	3.749	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccccc2Cl)[C@H]2CCCC=C12	58733	HICFGKDBWVSVBZ-SUMWQHHRSA-N	334.810	3.934	50	50	EHGA	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccco1	321981	QIDNMQXVRZSBGD-KGENOOAVSA-N	331.375	3.928	50	50	EHGA	
COc1ccc(/C=C(\C#N)C(=O)Nc2nccc3ccccc23)cc1	434071	IRUBVAFCRSSXJS-FOWTUZBSSA-N	329.359	3.789	50	50	EHGA	
O=C(O)[C@@H](Br)CC[C@H](Br)c1ccccc1	331993	JRXRLEVWMKFIAG-UWVGGRQHSA-N	336.023	3.751	50	50	EHGA	
CCCc1n[nH]c2c1[C@H](c1c(Cl)cccc1Cl)C(C#N)=C(N)O2	458919	YBFNZAAKZDUGFT-LBPRGKRZSA-N	349.221	3.887	50	50	EHGA	
CC(=O)N/N=C/c1c(OC(=O)c2ccccc2)ccc2ccccc12	5899914	ZYTOGNLONGDLDP-FYJGNVAPSA-N	332.359	3.529	50	50	EHGA	
CC(/C=N\NC(=O)c1cncc(Br)c1)=C\c1ccccc1	32666346	HZIWUOBQSKSBSP-HMUDDCJVSA-N	344.212	3.663	50	50	EHGA	
CC1=C(C#N)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1	19760509	BEXNDNPDIUTLCK-IBGZPJMESA-N	335.451	3.880	50	50	EHGA	
O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccccc1	334964	AKKDYTGVYRPJKH-UHFFFAOYSA-N	331.375	3.820	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccccc1C(F)(F)F	292742	URVZMBFULIUAMP-HNNXBMFYSA-N	331.297	3.506	50	50	EHGA	
Cc1ccc(OCC(=O)N/N=C/c2c(O)ccc3ccccc23)c(C)c1	274221	ARLOXCLOYYBZJF-WSDLNYQXSA-N	348.402	3.691	50	50	EHGA	
O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@H]1C[C@H]1c1ccccc1	55072162	AGBFFRHYADLRCV-SFTDATJTSA-N	347.462	3.558	50	50	EHGA	
CCOC(=O)c1c(C)sc2c1OC(N)=C(C#N)[C@@H]2c1cccs1	1430005	JROXUEXJFXLLBU-GFCCVEGCSA-N	346.433	3.513	50	50	EHGA	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2C)C(C#N)=C(N)O3)cc1	4167648	NIQHGALOBPQESE-QGZVFWFLSA-N	342.402	3.912	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)c(F)c2)[C@@H]2CCCC=C12	33724376	CPAXASKJCOURIU-CXAGYDPISA-N	336.345	3.558	50	50	EHGA	
O=S(=O)(c1ccc(N=C=S)cc1)N1CCCc2ccccc21	17067819	KIKROSFKSRRRLN-UHFFFAOYSA-N	330.434	3.562	50	50	EHGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)s3)n[nH]2)cc1	9274154	PRTAZUBLMJDZTD-YBFXNURJSA-N	338.436	3.773	50	50	EHGA	
O=C(CCl)c1cc(Br)c(F)cc1Br	263623341	GRADMTQJZGYEHX-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(Br)cc1	245226845	OHEOKZNCXBDYNE-FHVBXRPFSA-N	335.245	3.726	50	50	EHGA	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)ccc1O	301139	XBYWCSGMDPBNTM-CIAFOILYSA-N	334.375	3.626	50	50	EHGA	
NC(=O)NN=C1[C@H]2CCC[C@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1	245239741	BNJXNKFPPJGIBR-VJANTYMQSA-N	348.450	3.513	50	50	EHGA	
Cc1ccc2nc(/C(C#N)=C\c3ccc(N4CCOCC4)cc3)[nH]c2c1	5387307	WNZVQZAIBXCYRA-LGMDPLHJSA-N	344.418	3.772	50	50	EHGA	
Cc1ccccc1NC(=S)NNC(=O)c1csc2ccccc12	374934	RZFBNKRUGPCEKZ-UHFFFAOYSA-N	341.461	3.841	50	50	EHGA	
O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)[C@H](F)Cl	2325898602	NMUVIQYBLHFJNG-INIZCTEOSA-N	346.789	3.753	50	50	EHGA	
Cc1cc(C)n2nc(/C(C#N)=C/c3ccc(Cl)cc3)c(C#N)c2n1	5212301	MNHZZYGELUGKII-RIYZIHGNSA-N	333.782	3.935	50	50	EHGA	
O=C(Cc1cccc2c1CCCC2)N/N=C\c1ccc(Cl)cc1	43761194	MGMGHIGZUWZKMY-BKUYFWCQSA-N	326.827	3.912	50	50	EHGA	
O=P(CCCO)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2909406	XXAQOCLSJIWQGZ-UHFFFAOYSA-N	329.163	3.690	50	50	EHGA	
Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccco3)cc2)cc1	4360563	QKDSTTLEMOXLFU-FYJGNVAPSA-N	334.375	3.931	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(C(F)(F)F)c1	241685	UBQFFYVCHZQQPD-PSLIRLAXSA-N	348.324	3.766	50	50	EHGA	
CCCc1n[nH]c2c1[C@@H](c1ccccc1C(F)(F)F)C(C#N)=C(N)O2	4473376	WLOYJNODLQBYRT-ZDUSSCGKSA-N	348.328	3.599	50	50	EHGA	
N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2[C@@H]1c1ccc(Cl)cc1	5125951	NWIKZTKVLDDMQG-OAHLLOKOSA-N	348.793	3.948	50	50	EHGA	
Cc1cccc(NC(=O)NNC(=O)c2c(O)ccc3ccccc23)c1C	17072538	IYXVXCBGPHEFMU-UHFFFAOYSA-N	349.390	3.629	50	50	EHGA	
C[C@H](c1ccccc1)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	83359	DLGHPCQUNMMSHA-PXAZEXFGSA-N	344.370	3.767	50	50	EHGA	
O=C(NNC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(Cl)c1	435933	XATONFRBQJISSW-UHFFFAOYSA-N	343.597	3.722	50	50	EHGA	
COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc(Cl)c1O	19770137	MJBYUZYXTBQSST-MRXNPFEDSA-N	344.798	3.546	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cccc(C(F)(F)F)c1	241690	UBQFFYVCHZQQPD-VFZGTOFNSA-N	348.324	3.766	50	50	EHGA	
CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@@H]1c1ccccc1	4744775	VOQIZUATDNWDHC-SFHVURJKSA-N	334.375	3.831	50	50	EHGA	
CCC/C(C)=N/NC(=O)CNc1ccc(Cl)cc1Br	4947952	JTRPACSKTDXDCV-RQZCQDPDSA-N	346.656	3.807	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1cccc(Cl)c1Cl	241440	FWEUEGMCZKOQIP-AWEZNQCLSA-N	332.190	3.794	50	50	EHGA	
N#CC1=C(S)N(c2ccc(Cl)cc2)C2(CCCCC2)NC1=O	818320	MBZWWIZQGZFLOT-UHFFFAOYSA-N	333.844	3.602	50	50	EHGA	
C/C(=N\NC(=O)CC#N)c1ccc(OCc2ccc(Cl)cc2)cc1	253470603	NRAZHSVIFUHKJP-FYJGNVAPSA-N	341.798	3.673	50	50	EHGA	
CSc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1	2485571	LOWAUECXRBFYFX-MRXNPFEDSA-N	340.448	3.859	50	50	EHGA	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C(C)(C)C)cc1OC	17071098	UYQWGMQFJJACQY-JYRVWZFOSA-N	339.395	3.616	50	50	EHGA	
O=C(NCCCl)Nc1ccc(C(F)(F)F)cc1Br	1857779369	KDYOZMDYGZOZKF-UHFFFAOYSA-N	345.546	3.828	50	50	EHGA	
CC/C(=N\NC(=O)c1cc2c(s1)CCCC2)c1cc(O)ccc1O	13321860	OJQFODAACGFCFJ-XMHGGMMESA-N	344.436	3.582	50	50	EHGA	
CN(NC(=O)Oc1ccccc1)c1ncc(C(F)(F)F)cc1Cl	4050966	JDZQUMGJNADXHS-UHFFFAOYSA-N	345.708	3.894	50	50	EHGA	
O=C(N/N=C/c1cc(C(F)(F)F)ccn1)c1ccc(Cl)cc1	263639832	KYYZTJFIAWFNSI-DNTJNYDQSA-N	327.693	3.518	50	50	EHGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)s1	4473373	KYNPYQOAJITDPY-CQSZACIVSA-N	334.404	3.665	50	50	EHGA	
C/C(=C\c1ccco1)[C@@H]1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21	6191768	ORRIBHZQKOAYQB-YBHKSSGVSA-N	344.374	3.943	50	50	EHGA	
Clc1ccc(I)c(CBr)c1	114091715	IXJKEQUZQPJVKR-UHFFFAOYSA-N	331.378	3.840	50	50	EHGA	
C=CC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C	196088153	YQFQCQOGRMUSGZ-UHFFFAOYSA-N	334.637	3.881	50	50	EHGA	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)o1	17068156	NTAPQLIEMMITQW-UXBLZVDNSA-N	331.715	3.695	50	50	EHGA	
O=S1(=O)CC2[C@H](c3ccccc3)C([C@H]2c2ccccc2)[C@@H]1Cl	19877979	TUXHSCPCLFNSMG-HBWZYELFSA-N	332.852	3.793	50	50	EHGA	
O=C(Cl)[C@H](Br)[C@@H](Br)c1ccccc1	2172276	BOBCYEPTLFPZKT-JGVFFNPUSA-N	326.415	3.652	50	50	EHGA	
CC(C)(C)OC(=O)N1CC(=O)C[C@H](O[Si](C)(C)C(C)(C)C)C1	208568678	UIIIAHUXNIKHEH-ZDUSSCGKSA-N	329.513	3.587	50	50	EHGA	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl	4117786	FJZGXNAICCYOAZ-UHFFFAOYSA-N	326.139	3.659	50	50	EHGA	
Cc1cc(C(=O)NNC(=S)Nc2cccc3ccccc23)cs1	6572526	URGGCQLIRRNBIL-UHFFFAOYSA-N	341.461	3.841	50	50	EHGA	
CCO[Si](c1ccccc1C)(c1ccccc1C)c1ccccc1C	169815948	ZPPUCYJNYQMBEL-UHFFFAOYSA-N	346.546	3.615	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)s1)[C@H]1C[C@@H]1c1ccccc1	51083	SLIUMZSDDBCJIL-OHXOBVGHSA-N	349.253	3.764	50	50	EHGA	
COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(OC)c1	438913	MPJQCXFMGRNSIY-FYJGNVAPSA-N	340.423	3.765	50	50	EHGA	
Cc1cc(CN(C)C(=O)[C@H](C)Cl)cc(C)c1OCC(F)(F)F	1875364085	IDBFYUKOTWAOEG-NSHDSACASA-N	337.769	3.830	50	50	EHGA	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1O	263170	PLHBVYHCBAKKNZ-KGENOOAVSA-N	332.359	3.948	50	50	EHGA	
CCC(Cc1ccccc1)=NNC(=O)[C@H](C)Nc1ccccc1OC	245238428	NYKSTTPHHJWEMC-HNNXBMFYSA-N	339.439	3.621	50	50	EHGA	
CC1=C(C#N)CCC(=O)N1CCOc1ccc(Cl)cc1Cl	169182	BSWYAEJCKIIQCS-UHFFFAOYSA-N	325.195	3.792	50	50	EHGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)[nH]n1	263734	TWJVQIOWWOVKCR-QGMBQPNBSA-N	339.226	3.778	50	50	EHGA	
NC(=O)NN=C1[C@H]2CCC[C@H]1[C@@H](c1ccccc1)N[C@@H]2c1ccccc1	169295558	BNJXNKFPPJGIBR-INDMIFKZSA-N	348.450	3.513	50	50	EHGA	
C#CCOc1ccc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC	5028023	WNEBAPITZLBFFF-WJDWOHSUSA-N	343.386	3.956	50	50	EHGA	
CCOc1ccc(C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	288688	RPHBNDBBGOHEFZ-RCCKNPSSSA-N	339.439	3.695	50	50	EHGA	
N#CSc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1	34650	WKWMOGOIIGNHET-UHFFFAOYSA-N	340.433	3.867	50	50	EHGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1	38896	KLHQWXOILCCTOX-GOSISDBHSA-N	343.342	3.966	50	50	EHGA	in-vitro
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1	405348	LDHHDFFSJYOKLK-IBGZPJMESA-N	342.402	3.707	50	50	EHGA	
FC(F)(F)Oc1cc(I)ccc1N=C=S	4313177	FAQBOYFUFJGDKP-UHFFFAOYSA-N	345.083	3.924	50	50	EHGA	
Cc1cc(C)c2c(NC(=O)c3cccc(CCl)c3)nn(C)c2n1	6668855	NIKVNWDJBHNGNL-UHFFFAOYSA-N	328.803	3.576	50	50	EHGA	
CC(=O)O[C@@H]1C[C@](F)(C(F)(F)F)[C@](F)(C(F)(F)F)C[C@H]1Cl	252586133	NSDMPHHLQXQISE-OOJXKGFFSA-N	348.617	3.861	50	50	EHGA	
C/C(=N\NC(=O)Cc1c(C)[nH]c2ccc(C)cc12)c1cccs1	237428	MMIDFCJRNBHLOB-DEDYPNTBSA-N	325.437	3.929	50	50	EHGA	
FC(F)(CBr)C(F)(F)C(F)(F)CBr	2384172	QMSMXOXREPKYSH-UHFFFAOYSA-N	337.883	3.682	50	50	EHGA	in-vitro
O=C(CCl)c1c(F)cc(Br)cc1Br	263624235	ONVVNUKJNJCXTM-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
O=C(N/N=C/c1cc(Cl)ccc1O)c1cc2ccccc2cc1O	63391	OKFCYCJDKWKCJI-KEBDBYFISA-N	340.766	3.668	50	50	EHGA	
Cc1scc(C(=O)NNC(=O)Nc2cccc3ccccc23)c1C	17071123	XWEMYPZNJJUZGX-UHFFFAOYSA-N	339.420	3.985	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2cccc(F)c2F)c(C(F)(F)F)c1	799750216	ZWGPTOLUUMOQHX-UHFFFAOYSA-N	341.239	3.612	50	50	EHGA	
CCOc1ccc([C@H]2C(C#N)=C(SC)NC3=C2C(=O)CCC3)cc1	459036	BENFPVOLSMCNOJ-KRWDZBQOSA-N	340.448	3.877	50	50	EHGA	
Cc1ccc2nc(/C(C#N)=C/c3cc4c(cc3[N+](=O)[O-])OCO4)[nH]c2c1	4150153	HMQIOMFNFOVCFD-LFYBBSHMSA-N	348.318	3.572	50	50	EHGA	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)C1[C@@H]2CCCC[C@@H]12	100311391	VLEVRRXRGIYNHJ-CTDROBFWSA-N	327.211	3.585	50	50	EHGA	
N#C/C(=C/c1cc2c(cc1Cl)OCO2)c1ccc(C(=O)O)cc1	4471305	AUIXCIFNYYMRHQ-ACAGNQJTSA-N	327.723	3.831	50	50	EHGA	
CC(C)(C)c1n[nH]c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	4597222	AHAMHZSLSGMKNN-LLVKDONJSA-N	346.793	3.718	50	50	EHGA	
Clc1ccc(CBr)c(I)c1	117733577	NHDOHTQSXMMAPT-UHFFFAOYSA-N	331.378	3.840	50	50	EHGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	306770	FXIUBQNRLOMMSN-XYOKQWHBSA-N	326.308	3.633	50	50	EHGA	
CC(C)(C)OC(=O)N[C@H](COC(=O)C(Cl)Cl)c1ccccc1	3136313	XXSBZAMACSNBHL-LLVKDONJSA-N	348.226	3.599	50	50	EHGA	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc(Cl)s2)n[nH]1	15854670	HXAXVVSEVURBOE-VIZOYTHASA-N	336.829	3.617	50	50	EHGA	
C[C@@H](C(=O)N1CCC2(CC1)C[C@@H]2Br)c1cccs1	1775999123	OHQCQUHRZQQDHL-PWSUYJOCSA-N	328.275	3.628	50	50	EHGA	
CC(C)(C)OC(=O)N1CC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C1	198012432	UIIIAHUXNIKHEH-CYBMUJFWSA-N	329.513	3.587	50	50	EHGA	
O=C(CBr)c1c(F)cc(Cl)cc1Br	263623196	FNQCXXOCVIKHIY-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
CCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2ccco2)cc1	5020645	FHQFXQSDZOQZRG-KGENOOAVSA-N	341.411	3.952	50	50	EHGA	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccc(Cl)cc1	13894489	NGVALLYVNZYRHU-LCYFTJDESA-N	326.739	3.584	50	50	EHGA	
CC(C)(C)[Si](C)(C)OCC[C@@H]1O[C@H](c2ccccc2)OC[C@H]1O	169835097	BQBVBMQHKPFTBP-IXDOHACOSA-N	338.520	3.873	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@H]2CCCC=C12	58734	HICFGKDBWVSVBZ-GUYCJALGSA-N	334.810	3.934	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1c(Cl)cccc1Cl	61406	BLBYLGLXVDMDPE-CYBMUJFWSA-N	335.190	3.808	50	50	EHGA	
O=C(N/N=C/c1cccc(Br)c1)[C@@H]1[C@H]2CCC=CCC[C@H]21	252320702	NOHGYFMKKFOUNA-QYKJQPEUSA-N	347.256	3.892	50	50	EHGA	
COc1ccc(S(=O)(=O)C(C#N)=CNc2ccccc2Cl)cc1	2049463228	CYKKMIYDRDDDLC-UHFFFAOYSA-N	348.811	3.599	50	50	EHGA	
O=C(COc1ccc2c(c1)CCCC2)N/N=C/c1ccc(Cl)cc1	43761341	XZMFUCAJNXUHEB-CIAFOILYSA-N	342.826	3.748	50	50	EHGA	
CC(C)(C)OC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CO	202955154	IPGSAOQJRLRTNS-KGLIPLIRSA-N	345.556	3.769	50	50	EHGA	
O=C(N/N=C/C1=C(Cl)c2ccccc2CC1)c1ccccc1O	43761458	HDLXVYSPWFXLHN-RGVLZGJSSA-N	326.783	3.704	50	50	EHGA	
C[C@H](C(=O)N1CCC2(CC1)C[C@H]2Br)c1cccs1	1775999118	OHQCQUHRZQQDHL-CMPLNLGQSA-N	328.275	3.628	50	50	EHGA	
O=C(CCc1ccccc1)N/N=C/c1ccccc1Br	438737	AKMPXMKRBVYINU-LDADJPATSA-N	331.213	3.532	50	50	EHGA	
N#CC1=C(N)N(c2ccccc2)c2cc(O)ccc2[C@@H]1c1cccnc1	4623176	OWRMYJOWAAEOPU-FQEVSTJZSA-N	340.386	3.765	50	50	EHGA	
CC(C)c1[nH]nc2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	5633476	SYQSMMJGUQIGDW-LLVKDONJSA-N	332.766	3.544	50	50	EHGA	
O=C(N/N=C1\CCCc2c1[nH]c1ccc(Cl)cc21)c1ccncc1	296784	IYHPMSUEMBCZJE-CJLVFECKSA-N	338.798	3.687	50	50	EHGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc(OCC)cc2)cc1	3162111	ACGOFGMJZHNGQT-KGENOOAVSA-N	340.423	3.567	50	50	EHGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)cc1	8973063	YHJXDXFMHZFIIC-INIZCTEOSA-N	328.375	3.603	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)cc1)c1cccc(Cl)c1	256912	MKZXYDMMTKZDHT-RQZCQDPDSA-N	337.604	3.866	50	50	EHGA	
Cc1cccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)c1C	5041695	VCSSDUYRIRXMPG-UHFFFAOYSA-N	349.390	3.629	50	50	EHGA	
CCOc1ccc(NS(=O)(=O)c2ccc(N=C=S)cc2)cc1	19737326	ISOUCXWMHMWYQK-UHFFFAOYSA-N	334.422	3.620	50	50	EHGA	
C/C=C1/C[N@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14	252441294	NNGQLOSIKGOGJJ-XHGRUSBISA-O	335.471	3.782	50	50	EHGA	
CC(=C/c1ccccc1)/C=N/NC(=O)COc1ccccc1Cl	2544149	CEHVELNEFJQZON-BHFKYQIGSA-N	328.799	3.924	50	50	EHGA	
Cc1ccccc1NC(=O)NNC(=O)c1cc2c(s1)CCCCC2	13323967	MCNGEZVUGCGQPB-UHFFFAOYSA-N	343.452	3.792	50	50	EHGA	
Cc1cc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)[nH]n1	18240547	CPKJITBZFVJWIB-CIAFOILYSA-N	328.375	3.788	50	50	EHGA	
Cc1ccc(Cl)cc1NC(=S)NNC(=O)CCc1ccccc1	6788830	KCFXRNIUZZDXSD-UHFFFAOYSA-N	347.871	3.599	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3cccc(Cl)c3)[nH]n2)cc1	8557906	CLMNTMILCDDLKW-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
CC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169835870	OBNKUXOLNAALKF-UHFFFAOYSA-N	340.539	3.932	50	50	EHGA	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(N)=O	17070671	RREALRJDJZSGJR-NTEUORMPSA-N	335.794	3.735	50	50	EHGA	
CN(C)c1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CCl)cc1	39959698	WCQJIFNTKCRTGQ-OAHLLOKOSA-N	347.871	3.731	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1cccc(C(F)(F)F)c1	283136	NVZJGVQNEUMXLV-CQSZACIVSA-N	334.297	3.520	50	50	EHGA	
O=C(N/N=C/c1ccncc1)c1sc2cc(F)ccc2c1Cl	438513	HTVDKLRFMUBRAW-UFWORHAWSA-N	333.775	3.853	50	50	EHGA	
COc1cc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc(OC)c1O	4067175	UIXYSPPKFOEZKO-NTUHNPAUSA-N	335.363	3.658	50	50	EHGA	
CCCCOc1ccc(OCC(=O)N/N=C/c2ccc(C)cc2)cc1	4372666	FQHGZRTTXIBKSQ-KGENOOAVSA-N	340.423	3.703	50	50	EHGA	
CCOc1cc2c(cc1/C=C(\C#N)c1nc3ccccc3[nH]1)OCO2	4453047	QTSDOXASEREDDT-NTUHNPAUSA-N	333.347	3.754	50	50	EHGA	
COc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1	17071828	NWSDUKNRUDHGQM-PTNGSMBKSA-N	344.374	3.631	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)s1)[C@@H]1C[C@H]1c1ccccc1	4188266	SLIUMZSDDBCJIL-YDCWUURFSA-N	349.253	3.764	50	50	EHGA	
C=CCOc1cccc(/C(C)=N/NC(=O)[C@]2(C)CC2(Cl)Cl)c1	17071340	JWBYWXHPJVEAKV-BKQORJHRSA-N	341.238	3.676	50	50	EHGA	
Cc1nn(C)c(NC(=O)[C@@H](F)Cl)c1-c1ccc(F)cc1Cl	2325898475	FMEBNTIYNZUEJP-LLVKDONJSA-N	334.153	3.661	50	50	EHGA	
O=C1C[C@@H](c2ccccc2)N(C(=O)CCCl)c2ccccc2N1	2025082	VAXKOWJBFYUAFB-INIZCTEOSA-N	328.799	3.732	50	50	EHGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1	299546	VEWONORDNKKGCR-UHFFFAOYSA-N	344.842	3.641	50	50	EHGA	
C=CCOc1ccccc1/C=C(/C#N)c1nc2ccccc2c(=O)[nH]1	102683975	WMYRASUQACGWGS-QINSGFPZSA-N	329.359	3.552	50	50	EHGA	
O=C(CCl)Cc1cc(Br)cc(Br)c1	307642000	KPJNTOVLMBFNMZ-UHFFFAOYSA-N	326.415	3.562	50	50	EHGA	
Br[C@H]1C[C@@]23CC[C@@]2(CSC3)C[C@H]1Br	104277113	JVPIKUYAMFZXQP-FIRGSJFUSA-N	326.097	3.821	50	50	EHGA	
O=C1OC(=O)[C@H]2[C@@H]1[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1	226346299	GFTXOYOWCPVIJK-CPLUKWAASA-N	328.367	3.620	50	50	EHGA	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)c1ccc([N+](=O)[O-])cc1	4989596	KZZGZOKTUWPKJK-UQBBGYFKSA-N	335.363	3.970	50	50	EHGA	
COc1ccc2[nH]cc(/C=C(/C#N)S(=O)(=O)c3ccccc3)c2c1	29763488	TXDZUWYZMUYKEZ-SXGWCWSVSA-N	338.388	3.515	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccsc1	63008	KAXDTTXSQKCYPO-KSSFIOAISA-N	348.427	3.957	50	50	EHGA	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cn(C)c2ccccc12	6571251	IAADRUCFKFNXAA-SRZZPIQSSA-N	330.391	3.732	50	50	EHGA	
C/C(=N\NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C#N)c1	1875256208	KRVPPTXRRWSYKW-SSDVNMTOSA-N	331.297	3.731	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccccc1C(F)(F)F	292743	URVZMBFULIUAMP-OAHLLOKOSA-N	331.297	3.506	50	50	EHGA	
CCCCP(=O)(c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	2164830	KENGYENMGRNWDA-UHFFFAOYSA-N	348.295	3.617	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)s1)[C@H]1C[C@H]1c1ccccc1	4188263	SLIUMZSDDBCJIL-OAMQDSFOSA-N	349.253	3.764	50	50	EHGA	
COc1cccc(C(=O)N/N=C(\C)C23CC4CC(CC(C4)C2)C3)c1O	222145801	ZXRHEBPOXSBFPI-CIAFOILYSA-N	342.439	3.723	50	50	EHGA	
NNC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12	2776403	JLICOSXEYHZCQQ-UHFFFAOYSA-N	332.190	3.812	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)C(C)(C)Oc2ccc(Cl)c(C)c2)o1	6846593	RWDNXGADKOZJGI-VXLYETTFSA-N	334.803	3.858	50	50	EHGA	
Cc1occc1C(=O)N/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	434871	XZFVTPGNOVWKNJ-VCHYOVAHSA-N	339.307	3.520	50	50	EHGA	
C[C@@H](c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	83346	DLGHPCQUNMMSHA-YVEFUNNKSA-N	344.370	3.767	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@H]2CCCC=C12	282928	HGIOQWAJLDHXMX-RDJZCZTQSA-N	334.810	3.934	50	50	EHGA	
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(N2CCCC2=O)cc1	4567438	KTGQTKLRFXRPDL-WQOGHSSVSA-N	347.418	3.633	50	50	EHGA	
Cc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)s1	618607	RYKXWHLVOXLMGM-HNNXBMFYSA-N	328.437	3.816	50	50	EHGA	
CC(/C=C/c1ccccc1)=N\NC(=O)COc1ccc(Cl)cc1	12572671	UKOYZPTZZFEPOM-BSNOEWQHSA-N	328.799	3.924	50	50	EHGA	
C[Si](C)(C)Oc1nc(O[Si](C)(C)C)nc(O[Si](C)(C)C)n1	195811144	CDEJXYZNMLUNBS-UHFFFAOYSA-N	345.624	3.513	50	50	EHGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@@H]1c1c(C)c(C)cc(C)c1C	4011625	JXTXMFZQXIVUNE-GOSISDBHSA-N	340.423	3.565	50	50	EHGA	
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@H]1C1CCCCC1	4452968	SKRJFINWCFYLSL-ZDUSSCGKSA-N	326.425	3.888	50	50	EHGA	
Cc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-]	1185197	DVWPVNDUWXLSHA-TVAFTARASA-N	327.384	3.505	50	50	EHGA	
O=C(CBr)c1cc(F)cc(Br)c1Cl	263623582	ISFDGZZLAVLDAI-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
CC(C)(C)C1=CC(=NNC(=O)c2ccco2)C=C(C(C)(C)C)C1=O	84969	SFFNMIHKXYHDIY-UHFFFAOYSA-N	328.412	3.893	50	50	EHGA	
CCOc1ccc2c(c1)[C@@H]1/C(=[S+]/C)SS[C@H]1C(C)(C)N2	4531888	SOZKNMLYMOBIJO-QWHCGFSZSA-N	326.532	3.979	50	50	EHGA	
CCc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)s1	43749	FMGDFCAZRVUINE-OAHLLOKOSA-N	328.437	3.761	50	50	EHGA	
Cc1ccc(NC(=O)/C(C#N)=C2\NC(C)(C)Cc3ccccc32)cc1	2275683	HZPCPNXMDPUYCE-HNENSFHCSA-N	331.419	3.793	50	50	EHGA	
COc1ccc(OC)c(NC(=O)/C(C#N)=C/c2c[nH]c3ccccc23)c1	6736046	VJHWPKNXSQWLEP-UKTHLTGXSA-N	347.374	3.731	50	50	EHGA	
CCOP(=O)(OCC)[C@H](NC(=O)C(C)(C)C)C(Cl)Cl	1857800301	RMOSHAAITDMQMP-VIFPVBQESA-N	334.180	3.545	50	50	EHGA	
NNC(=O)c1cccc(COc2c(Cl)cc(Cl)cc2Cl)c1	2568638	FCKFXYSLOHBDLO-UHFFFAOYSA-N	345.613	3.829	50	50	EHGA	
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	568817	HASYEQQJEZGUAF-UHFFFAOYSA-N	343.597	3.722	50	50	EHGA	
CCc1cc(C(=O)NNC(=S)Nc2cc(C)cc(C)c2)cs1	5950084	NJYZLCZQNBJPTP-UHFFFAOYSA-N	333.482	3.559	50	50	EHGA	
C[C@H](Oc1cccc(Cl)c1)C(=O)N/N=C/c1ccc(Cl)cc1	35653623	QTFQVAGNTNFJPW-VSMYLPJWSA-N	337.206	3.911	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(F)cc2F)[C@H]2CCCC=C12	63005	NXLVZIFMMFJTLF-SUMWQHHRSA-N	336.345	3.558	50	50	EHGA	
CCOc1cccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)c1	150972	VKYLRNHCWFDRFC-LDADJPATSA-N	327.405	3.732	50	50	EHGA	
CC[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3cccs3)[C@H]2C1	4631573	ISOIGZZSWATPCY-IFIJOSMWSA-N	334.448	3.978	50	50	EHGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc2c(c1)OCO2	208265	QEEUJPYNXNOABM-LJQANCHMSA-N	342.354	3.787	50	50	EHGA	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/[C@H]1CC=CCC1	4989749	QJXDFDPTTWKSHT-KECVIQKOSA-N	327.211	3.831	50	50	EHGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C\c1ccc(Br)cc1	252320707	OHEOKZNCXBDYNE-FTJSCAINSA-N	335.245	3.726	50	50	EHGA	
CC1=C(C#N)[C@H](COCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1	406051	DNRFBTJKJXZVIX-KRWDZBQOSA-N	336.435	3.863	50	50	EHGA	
CC(C)[C@@H](NC(=O)[C@H](C)Cl)[C@H](O)c1cccc(C(F)(F)F)c1	1875377913	RBOIWAVYZUQSHL-ZWKOPEQDSA-N	337.769	3.507	50	50	EHGA	
Cc1cc(OCc2ccc(/C=N/NC(=O)C3CC3)o2)ccc1Cl	355858	RRHROMHFEBTSJI-DJKKODMXSA-N	332.787	3.681	50	50	EHGA	
BrC[C@@H]1CS/C(=N\C23CC4CC(CC(C4)C2)C3)O1	23114688	RAQYEXHPTBHSOY-ABKIBANOSA-N	330.291	3.838	50	50	EHGA	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	95681816	ZEZLMEWVHJPIDP-UHFFFAOYSA-N	348.058	3.924	50	50	EHGA	in-vitro
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)CC2CCOCC2)C1	863947343	ZIDZGRFYTHOMMF-INIZCTEOSA-N	341.568	3.816	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O1	71019	ZFFGNZHRTCYOGY-HNNXBMFYSA-N	346.814	3.765	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccccc1C(F)(F)F	196802	ZBYUHMIYYPKSQY-AWEZNQCLSA-N	334.297	3.520	50	50	EHGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1	242765	ACGMQPXRVMJTKD-GOSISDBHSA-N	343.342	3.966	50	50	EHGA	
COc1cc(/C(C#N)=C/c2ccccc2F)c([N+](=O)[O-])cc1OC	295466	TXJPNMFXDCSPCY-KPKJPENVSA-N	328.299	3.815	50	50	EHGA	
N#CC1=C(N)N2C(=C(C#N)[C@@H]1c1cccs1)Sc1ccccc12	432616	IVSZCOHBNHMDNC-OAHLLOKOSA-N	334.429	3.887	50	50	EHGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cc1	9089015	UMXKKXMMISIWEC-CIAFOILYSA-N	336.370	3.542	50	50	EHGA	
C/C=C1/C[N@@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14	257361228	NNGQLOSIKGOGJJ-LMWBWMGKSA-O	335.471	3.782	50	50	EHGA	
O=C(CCl)c1cc(F)c(Br)cc1Br	263622910	BZCGNKXAFBFKFP-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
C[C@H](CO)NCc1cnc([C@@H](C)O[Si](C)(C)C(C)(C)C)s1	225661001	NGWAIVIJNMNXNM-VXGBXAGGSA-N	330.570	3.696	50	50	EHGA	
CCN(CC)[P@](=O)(c1ccccc1)c1nc2ccccc2s1	3166446	OCDRYSLSIROLEP-NRFANRHFSA-N	330.393	3.867	50	50	EHGA	
O=C(NN=C1CCN(Cc2ccccc2)CC1)[C@@H]1C[C@H]1c1ccccc1	55072158	AGBFFRHYADLRCV-LEWJYISDSA-N	347.462	3.558	50	50	EHGA	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c(C)c1	441353	PGKOVLOMPGMFOB-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
CCOc1cc(C(=O)NC2=C(C#N)CCC2)cc(OCC)c1OCC	4779433	ISBFSDRVKSBHHP-UHFFFAOYSA-N	344.411	3.574	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1	2485520	LXDDESPTIKXBJI-HNNXBMFYSA-N	332.190	3.794	50	50	EHGA	
CCOC(=O)C1=C(C)OC(n2cccc2)=C(C#N)[C@H]1c1ccccc1	4744776	VOQIZUATDNWDHC-GOSISDBHSA-N	334.375	3.831	50	50	EHGA	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc(Cl)s1	12343131	QZVJLYNRCSBMMR-RQZCQDPDSA-N	343.235	3.974	50	50	EHGA	
Nc1ccccc1C(=O)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1	5016605	FFNKKWDMJOJVHV-NHDPSOOVSA-N	339.782	3.946	50	50	EHGA	
CC(/C=C/c1ccccc1)=N\NC(=O)CNc1cccc(Cl)c1	5494559	VYIGPSSAVXCASU-QQQPHYRHSA-N	327.815	3.957	50	50	EHGA	
O=C(N/N=C/c1ccccc1)c1cc(-c2cccc3ccccc23)n[nH]1	9067387	WPWQGMPAXVYBDA-HYARGMPZSA-N	340.386	3.994	50	50	EHGA	
CC(C)(C)c1cc(C(=O)N/N=C/c2ccco2)n(-c2ccccc2)n1	1512606	YPMAJOYLUXAXAL-DEDYPNTBSA-N	336.395	3.527	50	50	EHGA	
C[C@@]12CC3CC(C(=O)N/N=C/c4ccccc4O)(C1)C[C@](C)(C3)C2	13619186	VBAOGHBXBHEQQZ-IBLHRFOTSA-N	326.440	3.839	50	50	EHGA	
CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@@H](C)C2	3269790	MGZCOZQRUHDERD-RKDXNWHRSA-N	329.849	3.615	50	50	EHGA	
Cc1ccsc1C(=O)NNC(=O)Nc1ccccc1C(F)(F)F	17071637	KBJOXPNKYMTPFE-UHFFFAOYSA-N	343.330	3.542	50	50	EHGA	
CC(C)COc1ccc(-c2cc(C(=O)NN)c3ccccc3n2)cc1	5908054	YFOTXSRFOIERNW-UHFFFAOYSA-N	335.407	3.540	50	50	EHGA	
CCCOc1cccc(/C(C)=N/NC(=O)[C@@]2(C)CC2(Cl)Cl)c1	17071632	NOXOKAKGBNUAKR-SKCQWOFPSA-N	343.254	3.900	50	50	EHGA	
Br[C@@H]1C[C@@]23CC[C@@]2(CSC3)C[C@H]1Br	254628853	JVPIKUYAMFZXQP-KYXWUPHJSA-N	326.097	3.821	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)s1)c1ccc(-n2cccc2)cc1	372784	HOOKSDAZTDZYCX-WOJGMQOQSA-N	329.812	3.956	50	50	EHGA	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccccc4)c32)s1	4473375	KYNPYQOAJITDPY-AWEZNQCLSA-N	334.404	3.665	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccccc2Cl)[C@@H]2CCCC=C12	19594771	HICFGKDBWVSVBZ-DYVFJYSZSA-N	334.810	3.934	50	50	EHGA	
N#CC(C#N)=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1	20387420	IYICWNJHRVZEEY-UHFFFAOYSA-N	326.709	3.698	50	50	EHGA	
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(-c2ccccc2)cc1	112513	BFJUUCOLKWTLJX-XDHOZWIPSA-N	335.319	3.619	50	50	EHGA	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCC#N	4725886	ZMXYBIRULDNGJL-XNTDXEJSSA-N	344.374	3.846	50	50	EHGA	
CC(C)/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/C(C)C	4829328	ATQVDHVLGHPJAP-IWGRKNQJSA-N	338.496	3.623	50	50	EHGA	
COC(=O)c1coc(/C=C(\C#N)c2nc(-c3ccncc3)cs2)c1	222312197	SOSNYXLEHAYFBX-WUXMJOGZSA-N	337.360	3.649	50	50	EHGA	
CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1c(C)c(C)cc(C)c1C	245539	JXTXMFZQXIVUNE-SFHVURJKSA-N	340.423	3.565	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)n[nH]1)c1ccc(F)cc1	54053	QMSLRNGMGCTFQH-YBFXNURJSA-N	342.399	3.740	50	50	EHGA	
CO[C@@H](C(=O)N/N=C/c1ccc2c3c(cccc13)CC2)c1ccccc1	439594	OCFMMIONPUZJSB-KURUZVKSSA-N	344.414	3.776	50	50	EHGA	
Cc1cc(C(=O)N/N=C/c2ccc(Br)s2)cs1	2749443	INKZOHZUQSGQFZ-WLRTZDKTSA-N	329.244	3.644	50	50	EHGA	
CCSC1=C(C#N)[C@@H](c2cccc(Br)c2)CC(=O)N1	9320763	RHUOBJBCRKFBKY-LLVKDONJSA-N	337.242	3.541	50	50	EHGA	
C/C(=N\NC(=O)CCC(=O)Nc1cccc(C)c1)c1ccc(C)cc1	5543046	WYULDXPDUKPZQV-CJLVFECKSA-N	337.423	3.563	50	50	EHGA	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c([N+](=O)[O-])cc1OC	12393071	UDVOPNOVSOSSBW-MLPAPPSSSA-N	328.299	3.815	50	50	EHGA	
O=C(CCl)N[C@@H](CCOc1ccccc1)c1ccc(F)cc1F	1875383675	BWSHPCVULGPVOS-INIZCTEOSA-N	339.769	3.830	50	50	EHGA	
Cc1occc1C(=O)N/N=C/c1cccc(OCc2ccccc2)c1	228167	CWEUTVGTOGISJR-FYJGNVAPSA-N	334.375	3.931	50	50	EHGA	
CCSc1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(C)o1	618534	OUBXRIAGHJQRGO-HNNXBMFYSA-N	330.409	3.515	50	50	EHGA	
C[C@H]1CNC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C	206457958	WNBWXUUDJJCDGX-BFHYXJOUSA-N	344.572	3.509	50	50	EHGA	
O=P(CNCCc1ccccc1)(c1ccccc1)c1ccccc1	2831309	HSSLGTWBUIRCSL-UHFFFAOYSA-N	335.387	3.790	50	50	EHGA	
O=C(NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2)c1sc2ccccc2c1Cl	101820904	LAZRVSMNESJTSW-NHCYSSNCSA-N	348.855	3.752	50	50	EHGA	
O=C(CCl)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1	1875377684	KVQJCDYTLNKVAG-AWEZNQCLSA-N	330.840	3.935	50	50	EHGA	
CC(C)(C)OC(=O)N1c2ccccc2[C@H](NC(=O)CCl)C1(C)C	1875378324	ZUOJFNOZGSAOKA-AWEZNQCLSA-N	338.835	3.616	50	50	EHGA	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(Br)c1	15745760	LQXYRPMDNUNXJM-WQLSENKSSA-N	343.180	3.700	50	50	EHGA	
COc1ccc(Br)cc1C1C(C#N)=C(C)NC(C)=C1C#N	25539907	GHKIUYDHOHJQHX-UHFFFAOYSA-N	344.212	3.740	50	50	EHGA	
O=C(N/N=C\c1ccc(Br)cc1)c1cccc2cc[nH]c12	32678362	NHKQLVDLNXMTLU-GRSHGNNSSA-N	342.196	3.694	50	50	EHGA	
CC[C@@H](Cl)C(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2162126	ZTSQTSMDPFKVOF-LDYMZIIASA-N	344.751	3.939	50	50	EHGA	
O=C(CSc1ccccn1)N/N=C/c1ccc(Cl)cc1Cl	195901	NZFNGAPDYLILHW-QGMBQPNBSA-N	340.235	3.631	50	50	EHGA	
O=C(COc1cccc(Cl)c1Cl)N/N=C/c1cccs1	2521740	CZQKPPQTRKAHDJ-FRKPEAEDSA-N	329.208	3.584	50	50	EHGA	
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCl)cc1	3885242	YJDRECSFQDETIE-KRWDZBQOSA-N	328.799	3.612	50	50	EHGA	
COc1ccc(/C(C)=N/NC(=O)c2sccc2-n2cccc2)cc1	5620999	SUHWZIWTHCCPLI-CPNJWEJPSA-N	339.420	3.701	50	50	EHGA	
COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1Cl	25539856	URCHPUSTGASARD-QGZVFWFLSA-N	328.799	3.840	50	50	EHGA	
COc1cccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)c1	218348	AQOJRWBEZOPZBO-CIAFOILYSA-N	340.423	3.656	50	50	EHGA	
O=C(CI)n1c2ccccc2c2ccccc21	3091309	GKJRPAGERZBTNM-UHFFFAOYSA-N	335.144	3.870	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1	42204	XKVUONJTQCYDRD-AWEZNQCLSA-N	335.190	3.808	50	50	EHGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccccc2OCC)cc1	3166984	JZNDIPNHZULQHJ-KGENOOAVSA-N	340.423	3.567	50	50	EHGA	
CC(C)=NNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1	4016784	IRCOXYFEVWBOQO-YDJMSOKMSA-N	347.418	3.526	50	50	EHGA	
Cc1cc(C(=O)N/N=C/c2c[nH]c3ccccc23)c2ccccc2n1	254016	LMILBYHBFPJGDG-WSDLNYQXSA-N	328.375	3.788	50	50	EHGA	
C[C@@H](NC(=O)CCl)c1ccc(-n2cnc3ccccc32)c(F)c1	1875384972	ZVAGHIUPMGLLKA-LLVKDONJSA-N	331.778	3.581	50	50	EHGA	
CC(C)(C)[Si](C)(C)OCc1ccc(OCC(=O)O)c([N+](=O)[O-])c1	197901336	UXUZQGZIXUXYHB-UHFFFAOYSA-N	341.436	3.580	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1	1875380637	USYVWPGLLRNAIQ-NHYWBVRUSA-N	344.833	3.624	50	50	EHGA	
Cc1cc(Cl)ccc1NC(=O)CCC(=O)N/N=C/c1cccs1	2895622	UMGDBCKKPGRFNG-VCHYOVAHSA-N	349.843	3.579	50	50	EHGA	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1	55754	LMTNXKNIKNBHKS-KGENOOAVSA-N	348.406	3.629	50	50	EHGA	
CCc1cc(C(=O)N/N=C/c2ccc(Br)s2)cs1	2755003	SBLXZOXHMKSRIJ-MKMNVTDBSA-N	343.271	3.898	50	50	EHGA	
O=C(N/N=C/c1ccc(Br)s1)c1cccc(Cl)c1	62647	VHGQLCIBHJCMQJ-VIZOYTHASA-N	343.633	3.928	50	50	EHGA	
COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1Cl	4089630	AVRROKCUUSYXJR-NTEUORMPSA-N	333.796	3.687	50	50	EHGA	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H](C)Cl	1875364673	PXIOQJMXDDTTDQ-PWSUYJOCSA-N	332.275	3.792	50	50	EHGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1	120330	SSMRCFLCGZRUDT-LICLKQGHSA-N	327.434	3.539	50	50	EHGA	
C[C@@H](Oc1ccc(Br)cc1)C(=O)NN=C1CCCCC1	4365870	TVPBTDXZRDBQGO-LLVKDONJSA-N	339.233	3.653	50	50	EHGA	
C/C(=N/NC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc([N+](=O)[O-])s1	4948669	KRVPOTRTXKPIMY-ZDLGFXPLSA-N	347.440	3.713	50	50	EHGA	
CCc1ccccc1NC(=O)NNC(=O)c1oc2ccccc2c1C	17070858	JBKFFXIUHUXTJS-UHFFFAOYSA-N	337.379	3.770	50	50	EHGA	
N#C/C(=C\c1ccccc1Br)S(=O)(=O)c1ccccc1	148302	VPAAWHFDDSQAAU-GXDHUFHOSA-N	348.221	3.787	50	50	EHGA	
Cc1ccc(C)c([C@@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	292260	INZOHEYWXLRFSQ-QGZVFWFLSA-N	344.370	3.628	50	50	EHGA	
CC(C)(C)OC(=O)N1CCC[C@@]1(CCl)CNCc1ccccc1	214470361	BDQCQYNXNCVHPI-GOSISDBHSA-N	338.879	3.785	50	50	EHGA	
Cc1ccc(S(=O)(=O)OC[C@H](C)C[C@H](C)Br)cc1	3137297	BETJJGSXOUFMDM-NEPJUHHUSA-N	335.263	3.510	50	50	EHGA	
CCc1nnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	408524575	VTQQNQHXNWUYRO-ZDUSSCGKSA-N	325.529	3.618	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccs1	51322	GEMOXYJUYDPQOV-SCLBCKFNSA-N	348.427	3.957	50	50	EHGA	
COc1ccc2ccccc2c1-c1cc(CNC(=O)[C@H](C)Cl)on1	1875380109	FPTMXRIOCLNSSQ-NSHDSACASA-N	344.798	3.747	50	50	EHGA	
CC1=C(C#N)[C@@H](COCc2ccccc2)C2=C(CC(C)(C)CC2=O)N1	406050	DNRFBTJKJXZVIX-QGZVFWFLSA-N	336.435	3.863	50	50	EHGA	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C\c1ccc(Br)cc1	32511893	OHEOKZNCXBDYNE-KMJZKAPUSA-N	335.245	3.726	50	50	EHGA	
CC(C)n1c([C@H]2CCCN(C(=O)[C@H](C)Cl)C2)nc2ccccc21	1875363870	CCPSSJMETDLPJK-KBPBESRZSA-N	333.863	3.951	50	50	EHGA	
Cc1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)s1	618608	RYKXWHLVOXLMGM-OAHLLOKOSA-N	328.437	3.816	50	50	EHGA	
CC(C)(C)C[C@@H]1CCc2[nH]nc(C(=O)N/N=C/c3ccccc3)c2C1	5295965	VOMOPMPYGWUDNT-NWGMWSOJSA-N	338.455	3.715	50	50	EHGA	
COc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1	286410	QFFISAMJICLFFV-WXUSHSQQSA-N	348.402	3.766	50	50	EHGA	
C/C(=N\NC(=O)CCc1c(C)n[nH]c1C)c1ccc2ccccc2c1	4193539	AUUBSOHUOVPAED-FYJGNVAPSA-N	334.423	3.653	50	50	EHGA	
COc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	5028039	HPJYRRPWCFFQDI-JYRVWZFOSA-N	334.335	3.852	50	50	EHGA	
COc1ccc(OCC(=O)N/N=C(\C)c2cccc3ccccc23)cc1	43763784	DVFQHJHAVRMBJL-PXLXIMEGSA-N	348.402	3.768	50	50	EHGA	
O=C(CCCC[C@@H]1CCSS1)N[C@H](CO)c1ccccc1	182589169	YMQZRZJZVVDSSN-HUUCEWRRSA-N	325.499	3.550	50	50	EHGA	biogenic
CC(C)CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	1775965160	VYAHXZSSGLTJLY-FQEVSTJZSA-N	349.434	3.912	50	50	EHGA	
N#C/C(=C\c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1F	372550	KGDAGFVRJRWFMX-WYMLVPIESA-N	339.370	3.955	50	50	EHGA	
CCN(CC)[P@@](=O)(c1ccccc1)c1nc2ccccc2s1	405170	OCDRYSLSIROLEP-OAQYLSRUSA-N	330.393	3.867	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)c(C)c1	276144	VNIYJQHJAFKIPT-VCHYOVAHSA-N	331.213	3.830	50	50	EHGA	
C/C(=N\NC(=O)c1cc(C)oc1C)c1cccc(Br)c1	13689190	OWSKWJOGVGZXHM-LICLKQGHSA-N	335.201	3.813	50	50	EHGA	
O=C(Nc1ccc(-c2nc(C3CC3)no2)cc1Cl)[C@H](F)Cl	2325901371	BGKLYQDWYMKHQN-JTQLQIEISA-N	330.146	3.740	50	50	EHGA	
Cc1cccc(NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)c1	3151025	AHPHELDBQXYRJE-AWQFTUOYSA-N	336.222	3.864	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1c[nH]c2ccccc12	83780	OQTNBNUQCHYJGH-KRWDZBQOSA-N	333.391	3.619	50	50	EHGA	
CCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2cc(O)c(Cl)cc21	296107	YLZHZIYNTZKNNC-KRWDZBQOSA-N	342.782	3.662	50	50	EHGA	
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]1CCC[C@]2(O)C#N	104212118	XHDBQDNRWFJOBU-LQDXZBFHSA-N	329.484	3.955	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@H](c2cccc(Cl)c2)C(C#N)=C(N)O1	242032	FGOAGEWDFCQCER-OAHLLOKOSA-N	346.814	3.765	50	50	EHGA	
Cc1ccc(/C=C(\C#N)c2nn(-c3ccccc3)c(N)c2C#N)cc1	4713330	COCRNTYWWLPPGR-LFIBNONCSA-N	325.375	3.699	50	50	EHGA	
O=C(CN1CCCCCCC1)N/N=C/c1cccc(Cl)c1Cl	4832332	UPQCQSAOLZJYCE-YBFXNURJSA-N	342.270	3.710	50	50	EHGA	
CCOc1ccc([C@@H]2C(C#N)=C(SC)NC3=C2C(=O)CCC3)cc1	459038	BENFPVOLSMCNOJ-QGZVFWFLSA-N	340.448	3.877	50	50	EHGA	
C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(N=C=S)cc1	19737323	TUEPVZRQWTUJEB-ZDUSSCGKSA-N	344.461	3.951	50	50	EHGA	
O=C(CCCC[C@@H]1CCSS1)N[C@@H](CO)c1ccccc1	182589188	YMQZRZJZVVDSSN-CABCVRRESA-N	325.499	3.550	50	50	EHGA	
CC[C@@H](NC(=O)/C(C#N)=C\c1nn(C)c(C)c1Cl)c1ccccc1	491085546	RBXKSGYVSATLLG-BAAYTWLHSA-N	342.830	3.556	50	50	EHGA	
CC1(C)OB(c2ccc(CBr)cc2Cl)OC1(C)C	169747655	RFXSZNZSFDRTPC-UHFFFAOYSA-N	331.446	3.534	50	50	EHGA	in-vitro
O=C(CCl)c1ccc(Br)c(F)c1Br	263624196	OGRPMOGPSAONBC-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
CCN(CC)c1ccc(/C=N/NC(=O)c2cccc(Cl)c2)cc1	95346	WDMNNKKXDCHZOR-DEDYPNTBSA-N	329.831	3.950	50	50	EHGA	
Cc1ccc(S(=O)(=O)OC[C@H](C)C[C@@H](C)Br)cc1	3137295	BETJJGSXOUFMDM-VXGBXAGGSA-N	335.263	3.510	50	50	EHGA	
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	4453125	RUTCUBNYTKYYBF-MDWZMJQESA-N	335.363	3.653	50	50	EHGA	
CC1CCN(/C(N)=C(\C#N)c2nc3cc(Cl)ccc3s2)CC1	221914949	MNUMLZWJCKBXPA-NTCAYCPXSA-N	332.860	3.832	50	50	EHGA	
CC(=O)N/N=C/c1ccc(OC(=O)c2cccc3ccccc23)cc1	4259430	JWPZICKBIZPFKJ-FYJGNVAPSA-N	332.359	3.529	50	50	EHGA	
N#C/C(=C\c1ccc(Cl)s1)C(=O)Nc1ccc([N+](=O)[O-])cc1	6829110	QKTAQVFJASPZTR-VQHVLOKHSA-N	333.756	3.855	50	50	EHGA	
CCCCCCN1C(=O)/C(=N\NC(=O)c2ccccc2)c2ccccc21	40846624	ZGQHMZCITJHYOW-QOCHGBHMSA-N	349.434	3.748	50	50	EHGA	in-vivo
C/C(=N/NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1O	100288123	UQUUDJVXKCAOTB-NDENLUEZSA-N	349.346	3.608	50	50	EHGA	
O=C(N/N=C/c1cccc(Cl)c1Cl)c1ccc([N+](=O)[O-])cc1	65418	VFCIUTJNWIBEBO-CAOOACKPSA-N	338.150	3.666	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]2CCCC=C12	282926	HGIOQWAJLDHXMX-NVXWUHKLSA-N	334.810	3.934	50	50	EHGA	
O=C(F)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F	95681725	BCLQALQSEBVVAD-UWTATZPHSA-N	332.040	3.518	50	50	EHGA	
CC(C)(C)[Si](OC[C@@H]1CC=CO1)(c1ccccc1)c1ccccc1	169834924	PVRHTFBVOSXOHJ-SFHVURJKSA-N	338.523	3.866	50	50	EHGA	
CCC[C@@H](C(=O)OCC)P(=O)(c1ccccc1)c1ccccc1	2826208	TYDNCYGVLAGCAW-SFHVURJKSA-N	330.364	3.732	50	50	EHGA	
C[C@H](Cl)C(=O)N1C[C@H](c2cccc(C(F)(F)F)c2)OC[C@@H]1C	1875378256	YFEPBHNFIFULRV-OUJBWJOFSA-N	335.753	3.621	50	50	EHGA	
Cc1cccc(NC(=S)NNC(=O)c2csc(C(C)C)c2)c1	8685702	JMVMHHLBUPGJQX-UHFFFAOYSA-N	333.482	3.811	50	50	EHGA	
C[C@@H](Cl)C(=O)N1CCC(c2nc3cc(F)ccc3s2)CC1	1875364376	PCKZIRKUWMUKTQ-SECBINFHSA-N	326.824	3.769	50	50	EHGA	
COc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc2c1OCO2	5028044	CRPYSDHJLAYBEL-MLPAPPSSSA-N	333.347	3.673	50	50	EHGA	
CO[C@H](C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1	436832	NJOOSLRAUXHZCH-RPJLVFAOSA-N	337.206	3.831	50	50	EHGA	
CCCCCCCCCC(=O)N/N=C/c1ccc(OCC(=O)O)cc1	102266701	MAOXJDMVTZLFDG-XSFVSMFZSA-N	348.443	3.741	50	50	EHGA	
C[C@H](Cl)C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1	1875364207	JVBVNZGGQRRAOY-VIFPVBQESA-N	340.210	3.508	50	50	EHGA	
CC(C)C[C@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1	1875387163	RXNNWOBJWBKPHT-INIZCTEOSA-N	343.298	3.638	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(C(F)(F)F)cc1	4019979	YTAUHAMQIQDBLK-HNNXBMFYSA-N	332.281	3.629	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)n[nH]1)c1ccc(C)cc1	18136991	MTVLOUQUFMKZIU-RCCKNPSSSA-N	332.407	3.848	50	50	EHGA	
CCN(CC)C[P@@](=O)(NO[Si](C)(C)C)O[Si](C)(C)C	198088635	HWPJIGACLIMZLS-KRWDZBQOSA-N	326.526	3.686	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1cccc(Cl)c1Cl	241437	FWEUEGMCZKOQIP-CQSZACIVSA-N	332.190	3.794	50	50	EHGA	
CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(N1)c1ccccc1C2=O	20219240	DLRXUTMORORTAJ-GOSISDBHSA-N	342.354	3.507	50	50	EHGA	
O=C(CBr)c1cc(F)cc(Cl)c1Br	263623535	IHAVKEMQJDANQU-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
COc1cc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O	19833564	DCHGSUCWBGROIS-SFHVURJKSA-N	338.407	3.528	50	50	EHGA	
C[C@H](NC(=O)c1ccccc1NC(=O)CCCl)c1ccc(F)cc1	5671860	RSVQCDRNUAEOIT-LBPRGKRZSA-N	348.805	3.884	50	50	EHGA	
CC(C)(C)OC(=O)N[C@@H](CI)c1ccccc1	34624354	GEWOWDIUBPAXGN-NSHDSACASA-N	347.196	3.687	50	50	EHGA	
CCOc1ccc(CBr)cc1-n1nc2ccccc2n1	34926239	KHBMLZOQYQBPOT-UHFFFAOYSA-N	332.201	3.714	50	50	EHGA	
Cc1cc(CNCC2(O[Si](C)(C)C(C)(C)C)CCOCC2)no1	952877889	WQSSTRZXQOPMHR-UHFFFAOYSA-N	340.540	3.644	50	50	EHGA	
CCCC1=C(C(=O)OCC)[C@@H](c2ccccc2Cl)C(C#N)=C(N)O1	71045	JYSHAKAZHYLDBX-HNNXBMFYSA-N	346.814	3.765	50	50	EHGA	
O=C(N/N=C/c1ccncc1)[C@@H]1CC1(c1ccccc1)c1ccccc1	289139	UXTGPKGCECPZGV-WEKPXBEKSA-N	341.414	3.538	50	50	EHGA	
O=C(CCl)NCc1ccccc1-c1ccc(CN2CCCC2)cc1	1319681154	CDOWYWKKOWPWTL-UHFFFAOYSA-N	342.870	3.804	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1c(Cl)cccc1Cl	61407	BLBYLGLXVDMDPE-ZDUSSCGKSA-N	335.190	3.808	50	50	EHGA	
Cc1ccc2occ(/C=N/NC(=O)c3ccc(Cl)cc3)c(=O)c2c1	15934296	OSKIWBDHVIUDEX-AWQFTUOYSA-N	340.766	3.519	50	50	EHGA	
O=C(NN=C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1	55071963	OHYXILUHOPHKOZ-UHFFFAOYSA-N	341.842	3.722	50	50	EHGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)CC2CCOCC2)C1	863947344	ZIDZGRFYTHOMMF-MRXNPFEDSA-N	341.568	3.816	50	50	EHGA	
CC(C)CCOc1ccc([C@H]2C(C#N)=C(N)Oc3cc(N)ccc32)cc1	1775965162	VYAHXZSSGLTJLY-HXUWFJFHSA-N	349.434	3.912	50	50	EHGA	
C[C@@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(C(F)(F)F)cc1	2485572	LHICLUBEEPMXGR-PSLIRLAXSA-N	348.324	3.766	50	50	EHGA	
CC(/C=N\NC(=O)COc1cccc(Cl)c1)=C\c1ccccc1	30855823	RYSGHYMWBSRTIG-TZXDKGFWSA-N	328.799	3.924	50	50	EHGA	
O=C(O)CCSSCCNC(=O)c1cc2sccc2s1	1875389028	YXPSSXBIHMLENK-UHFFFAOYSA-N	347.508	3.549	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1ccccc1F	94317	XUHSVJGIBFLLTJ-IBGZPJMESA-N	337.398	3.890	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1ccc(F)cc1	205410	VVAIKMXADATXRO-LJQANCHMSA-N	337.398	3.890	50	50	EHGA	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1	437911	GTYIMNDYSYTPQS-XDHOZWIPSA-N	325.368	3.656	50	50	EHGA	
C=CC[C@H](C(=O)NNC(=O)[C@@H](CC=C)c1ccccc1)c1ccccc1	2173720	CICHDABFBXKVQH-PMACEKPBSA-N	348.446	3.854	50	50	EHGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1cccc(O)c1	8994572	UMNKJKWLTTUYDX-MRXNPFEDSA-N	336.416	3.664	50	50	EHGA	
COC(=O)C12c3ccccc3C(c3ccccc31)[C@@H](Cl)[C@@H]2Cl	101037820	JGYHLATUNVJIFG-NDUQDZPOSA-N	333.214	3.819	50	50	EHGA	
O=C(N/N=C/c1cccc(Br)c1)C1[C@@H]2CCC=CCC[C@@H]12	4955986	NOHGYFMKKFOUNA-OCQBMUCISA-N	347.256	3.892	50	50	EHGA	
CC1CCC(=NNC(=O)COc2ccc(Br)cc2)CC1	4366489	MQHDXUYAPDBQNF-UHFFFAOYSA-N	339.233	3.510	50	50	EHGA	
C/C(=N\NC(=O)COc1cccc(C)c1)c1ccc2c(c1)CCCC2	4108853	RTCOSQCMRMFOQU-CJLVFECKSA-N	336.435	3.793	50	50	EHGA	
CC(C)(C)OC(=O)N1C(=O)CC[C@@H]1CO[Si](C)(C)C(C)(C)C	169794890	BIVAQLMYVMOBJZ-GFCCVEGCSA-N	329.513	3.934	50	50	EHGA	
C[C@H](Oc1ccc(Cl)cc1)C(=O)NN=Cc1ccc(Cl)cc1	238950184	WVTFDWVYOVRJFH-NSHDSACASA-N	337.206	3.911	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1c[nH]c2ccccc12	83776	OQTNBNUQCHYJGH-QGZVFWFLSA-N	333.391	3.619	50	50	EHGA	
O=C(N/N=C/c1ccncc1)[C@H]1CC1(c1ccccc1)c1ccccc1	289142	UXTGPKGCECPZGV-HSJQUHBMSA-N	341.414	3.538	50	50	EHGA	
O=C(Cl)[C@@H](Br)[C@@H](Br)c1ccccc1	2172273	BOBCYEPTLFPZKT-YUMQZZPRSA-N	326.415	3.652	50	50	EHGA	
CCCN(CCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1	2837389	HABRPZBZJDNGFJ-UHFFFAOYSA-N	343.407	3.649	50	50	EHGA	
Cc1cc(Br)cc(Br)c1NC(=O)CCl	5679748	KEJWNLSGBDSWGF-UHFFFAOYSA-N	341.430	3.697	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)s2)n[nH]1)c1ccco1	181482	GIDBADRWWVRIIL-LZYBPNLTSA-N	334.788	3.539	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	381232	DOSNWPYEJWVAKI-DJKKODMXSA-N	337.206	3.831	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)[C@H](C)Nc2ccc(Cl)cc2C)cc1	230141476	BIRMJWFVDWRXSD-HXJASHHUSA-N	329.831	3.908	50	50	EHGA	
CCc1ccc(/C=N/NC(=O)c2[nH]nc(-c3ccccc3)c2C)cc1	9302058	UOXFFQIJXFLZTQ-FYJGNVAPSA-N	332.407	3.711	50	50	EHGA	
O=C(N/N=C/c1ccco1)c1cc(-c2ccncc2)nc2ccccc12	374598	SDAJNLUTSCDSLS-LPYMAVHISA-N	342.358	3.654	50	50	EHGA	
O=C(CCCCl)O/N=C1\C(=O)N(c2ccccc2)c2ccccc21	5483723	XDNCIDSBXPMKHP-JZJYNLBNSA-N	342.782	3.631	50	50	EHGA	
CO[C@H](C(=O)N/N=C/c1cccc(C(F)(F)F)c1)c1ccccc1	63786	WRNIIZYDSRMLQC-FPQGOQEYSA-N	336.313	3.543	50	50	EHGA	
C/C(CC(=O)Nc1cccc2ccccc12)=N\NC(=O)c1ccoc1C	6669786	QPLZZKJRZRWFST-LPYMAVHISA-N	349.390	3.876	50	50	EHGA	
C[C@@H](Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	235098727	NTTNZHVTEQZYAP-GFCCVEGCSA-N	334.213	3.988	50	50	EHGA	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(F)cc1	27838	DPGMYHQREXGAFZ-UFWORHAWSA-N	341.169	3.662	50	50	EHGA	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1O	445131	LLPMDACVRMSELS-HPAYWCODSA-N	334.828	3.677	50	50	EHGA	
O=C(CN1CCCCCCC1)N/N=C/c1ccc(Cl)c(Cl)c1	4990592	ZSDMXPOMEMMKCY-YBFXNURJSA-N	342.270	3.710	50	50	EHGA	
CCOC(=O)c1c(NC(=O)[C@H](C)Cl)sc2c1CCCCC2	26422840	FCOSMKNRFHIRSI-VIFPVBQESA-N	329.849	3.760	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cc(-c2ccco2)n[nH]1	5402865	MEHZCGXPFGEOFL-QGMBQPNBSA-N	349.177	3.740	50	50	EHGA	
COc1sc(SC)cc1/C=N/NC(=O)c1cccc(Cl)c1	260561	ZESOXEGVZGEEKT-LZYBPNLTSA-N	340.857	3.896	50	50	EHGA	
O=C(N/N=C/C=C/c1ccco1)c1cc(Cl)cc(Cl)c1O	2883911	LVJMPFVGNZJTCG-MUYVAPPVSA-N	325.151	3.721	50	50	EHGA	
O=C(N/N=C/c1ccccc1Cl)c1cc(-c2cccs2)n[nH]1	6423893	IAIJNIYJQQERSQ-RQZCQDPDSA-N	330.800	3.556	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(F)c1	405804	LYDITZUNXTXYJL-IBGZPJMESA-N	337.398	3.890	50	50	EHGA	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccnc3)c2C)c1	441356	VPEUWEYVWMVMJR-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
CCCOc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1	2869927	PKEQWZNEZLLCKB-HYARGMPZSA-N	333.391	3.788	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(C(F)(F)F)cc1	4019978	YTAUHAMQIQDBLK-OAHLLOKOSA-N	332.281	3.629	50	50	EHGA	
NC(=O)N/N=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12	4230149	RIKLVNVOUBJJNG-SSDVNMTOSA-N	337.354	3.560	50	50	EHGA	
O=C(CBr)c1cc(Cl)cc(Br)c1F	263624492	QZZOGBUBSPFSFC-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
COC(=O)[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H](C(C)=O)[C@H]12	169832861	DRZWCLKDIQBWBH-RBZJEDDUSA-N	340.536	3.801	50	50	EHGA	
C=CC[C@H](C(=O)NNC(=O)[C@H](CC=C)c1ccccc1)c1ccccc1	2173721	CICHDABFBXKVQH-BGYRXZFFSA-N	348.446	3.854	50	50	EHGA	
CN(C)c1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CCl)cc1	39959696	WCQJIFNTKCRTGQ-HNNXBMFYSA-N	347.871	3.731	50	50	EHGA	
CC(C)OC(=O)c1c(NC(=O)C(Cl)Cl)sc2c1CCC2	4646778	VFEIPDYGMBCRHP-UHFFFAOYSA-N	336.240	3.544	50	50	EHGA	
CC(/C=C/c1ccccc1)=N\NC(=O)CCC(=O)Nc1cccc(C)c1	6217034	LFVQPRCESLKORR-ADSQIOCHSA-N	349.434	3.919	50	50	EHGA	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)N/N=C/C=C/c1ccccc1	1781337	SOLVXYAPJUZBAG-CODZPLKJSA-N	328.799	3.923	50	50	EHGA	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccccc1Br	141743	BZVLCDFOKGJTLL-JLHYYAGUSA-N	327.181	3.995	50	50	EHGA	
C/C(=N\NC(=O)c1cccc(F)c1)c1ccc(Br)s1	4702467	UBFDPSJXRBXJRY-LZYBPNLTSA-N	341.205	3.804	50	50	EHGA	
COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)CCC3)cc1Cl	25539861	URCHPUSTGASARD-KRWDZBQOSA-N	328.799	3.840	50	50	EHGA	
CCOC(=O)N/N=C(/C)c1cccc(NC(=O)C2CCCCC2)c1	5021152	QMOIGSRDANWIJB-MOSHPQCFSA-N	331.416	3.676	50	50	EHGA	
C[Si](C)(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1	169818602	QAKXDOWHLFKTIS-UHFFFAOYSA-N	348.594	3.505	50	50	EHGA	
Cc1cc(Cl)ccc1NC(=S)NNC(=O)CCc1ccccc1	6527814	CUIQBADFVTVKFS-UHFFFAOYSA-N	347.871	3.599	50	50	EHGA	
COc1ccccc1/C=C/C=C(\C#N)c1nc(O)c2ccccc2n1	616988	UZQRKLXMVHBRCQ-SKAFZBRJSA-N	329.359	3.964	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(Cl)c(Cl)c1	242329	PRUMMGPBAFGTQN-HNNXBMFYSA-N	333.174	3.917	50	50	EHGA	
CCCOC(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	104126811	WPEWSDBYVOYNBL-SECBINFHSA-N	326.305	3.942	50	50	EHGA	
ClCc1cc(Br)ccc1I	95080199	OVMPAVCSOVHNOB-UHFFFAOYSA-N	331.378	3.793	50	50	EHGA	
CC(C)(C)S(=O)(=O)/C(C#N)=C\Nc1cccc(C(F)(F)F)c1	2561579	HRNPKKLDMDPLSN-XFXZXTDPSA-N	332.347	3.696	50	50	EHGA	
C[N+](C)(C)Cc1ccccc1P(c1ccccc1)c1ccccc1	101772790	OAEVUDBKCXDZPQ-UHFFFAOYSA-N	334.423	3.651	50	50	EHGA	
CCOC(=O)N/N=C/c1ccccc1OC(=O)c1ccccc1Cl	220978944	KBOPMXSKOFGQLY-YBFXNURJSA-N	346.770	3.639	50	50	EHGA	
O=C(O)[C@@H](Br)[C@@H](Br)c1ccc(Cl)cc1	1712226	VVMCVHQTBODLRQ-YUMQZZPRSA-N	342.414	3.624	50	50	EHGA	in-vitro
O=C(N/N=C/CCc1ccccc1)c1cccc(Br)c1	4997030	XKDZGFCVYHMLCJ-WOJGMQOQSA-N	331.213	3.798	50	50	EHGA	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(S)N1	289315	LLYPMXKZDZQGNY-MRXNPFEDSA-N	337.404	3.544	50	50	EHGA	
O=C(N/N=C\c1ccc(Cl)cc1)c1sccc1-n1cccc1	29763842	BTCFAVHDFYNYGR-WQRHYEAKSA-N	329.812	3.956	50	50	EHGA	
O=C(CCl)c1c(Br)ccc(F)c1Br	263623980	MHZJZAXVOXETRJ-UHFFFAOYSA-N	330.378	3.772	50	50	EHGA	
Cc1cc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)ccc1F	799752511	NPNVVZSBJGFIDE-UHFFFAOYSA-N	337.276	3.782	50	50	EHGA	
CO/N=C(\CBr)c1sc(-c2ccccc2)nc1C	1390125	DSQLNEUNNZNSGG-LFIBNONCSA-N	325.231	3.864	50	50	EHGA	
CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)[C@H](Cl)CC	2162128	ZTSQTSMDPFKVOF-GZMMTYOYSA-N	344.751	3.939	50	50	EHGA	
O=C(Cc1ccccc1)N/N=C/c1cccc(OCc2ccccc2)c1	524475	GGYAZVZIVOWRSR-XQNSMLJCSA-N	344.414	3.958	50	50	EHGA	
CC(C)(C)c1ccc(O)c(/C=N/NC(=O)c2cc(Cl)ccc2O)c1	2295596	FFIYOCSWBGYBRU-KEBDBYFISA-N	346.814	3.813	50	50	EHGA	
C[C@H](Cl)C(=O)N[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1	1875378230	XVNADBLDSTYPQI-RWEMILLDSA-N	336.646	3.815	50	50	EHGA	
O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)[C@@H](F)Cl	2325898603	NMUVIQYBLHFJNG-MRXNPFEDSA-N	346.789	3.753	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1	42205	XKVUONJTQCYDRD-CQSZACIVSA-N	335.190	3.808	50	50	EHGA	
CCOc1ccc(OC)cc1/C=N/NC(=O)c1ccc(Cl)cc1	438260	PVMPXXCXUMIZNY-YBFXNURJSA-N	332.787	3.511	50	50	EHGA	
N#C/C(=C\c1ccc(F)cc1)c1nn(-c2ccccc2)c(N)c1C#N	4481093	HJRDNQIOOHKLAG-GXDHUFHOSA-N	329.338	3.529	50	50	EHGA	
CC1=C(C#N)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(CC(C)(C)CC2=O)N1	19912809	OJRFMIFSJAAETE-QGZVFWFLSA-N	337.379	3.722	50	50	EHGA	
CCOC(=O)c1c(NC(=O)CCl)sc2c1CCc1ccccc1-2	550499	YTYFPPCAXKNLDX-UHFFFAOYSA-N	349.839	3.868	50	50	EHGA	
COCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC)cc1	171686543	ZCCCEMOADGSKKB-DTQAZKPQSA-N	337.375	3.510	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)s1	15986452	MTUYXGPNTGJRRQ-CEGJKDKLSA-N	336.420	3.876	50	50	EHGA	
O=C(COc1cccc2ccccc12)N/N=C/c1c[nH]c2ccccc12	257839	JLFLDSPRKAOYGW-YDZHTSKRSA-N	343.386	3.850	50	50	EHGA	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1	63301	GMOZPIWJNXJPFA-HXUWFJFHSA-N	341.414	3.991	50	50	EHGA	
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)Nc1ccc(F)cc1	16500100	KSSNICPTEUBTKR-UHFFFAOYSA-N	345.418	3.585	50	50	EHGA	
C/C(=N\NC(=O)Cc1cccs1)c1cccc(Br)c1	19849194	IYFJCUIZHFLZQZ-MHWRWJLKSA-N	337.242	3.594	50	50	EHGA	
CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(Cl)c1	1875387164	RXNNWOBJWBKPHT-MRXNPFEDSA-N	343.298	3.638	50	50	EHGA	
C[C@H](Oc1ccc(Br)cc1)C(=O)NN=C1CCCCC1	4365867	TVPBTDXZRDBQGO-NSHDSACASA-N	339.233	3.653	50	50	EHGA	
C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@H](c1cccc3ccccc13)C2	64548987	XZQMHUGTNOOYFX-OCCSQVGLSA-N	330.387	3.901	50	50	EHGA	
CCOc1ccc(NCC(=O)N/N=C(C)/C=C/c2ccccc2)cc1	5796779	HAMLUUMYZQUEEA-WQOGHSSVSA-N	337.423	3.703	50	50	EHGA	
CCCc1cc(C(=O)N/N=C(\CC)c2cc(O)ccc2O)cs1	17068357	FAIZGLQOEWCVHI-OBGWFSINSA-N	332.425	3.656	50	50	EHGA	
O=C(N/N=C\c1ccc(F)cc1)[C@@H](c1ccccc1)N1CCCCC1	96316581	YTOQJEPIPZIRAY-MLPWYGTASA-N	339.414	3.503	50	50	EHGA	
C[Si](C)(C)O[Si](C)(CCCOC[C@H]1CO1)O[Si](C)(C)C	195761587	YSIQPJVFCSCUMU-ZDUSSCGKSA-N	336.653	3.567	50	50	EHGA	in-vitro
O=C(O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1	59341158	WFPBWVIGMPXUGH-UHFFFAOYSA-O	349.390	3.845	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccn1	438723	ZKBBCRHYBBKSJJ-RGVLZGJSSA-N	325.755	3.759	50	50	EHGA	
O=C(CBr)c1cc(F)c(Br)c(Cl)c1	263623898	LQESRHMZCQDLSN-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1	4160113	LMOFZFJATHBTSR-QRJSFIJRSA-N	346.390	3.514	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)cc1	5349916	ABBSJVYVCUOUEE-RGVLZGJSSA-N	338.798	3.802	50	50	EHGA	
N#C/C(=C\c1ccc(Br)cc1)c1nnc2n1CCCCC2	4176419	XSOKIAHIMRLVMX-JLHYYAGUSA-N	343.228	3.831	50	50	EHGA	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccco1	4365982	SQHSRSUPGINQLY-HBBMIWKISA-N	334.375	3.864	50	50	EHGA	
C[C@H](Cl)C(=O)N1CCC[C@H]1[C@@H]1CCCN(Cc2ccccc2)C1	1875363613	MTOVCKVJLOUBDA-JQHSSLGASA-N	334.891	3.517	50	50	EHGA	
C/C(=N\NC(=O)Cc1ccccc1)c1ccc(Br)s1	4992159	GMDNTLRFWCXVRP-MHWRWJLKSA-N	337.242	3.594	50	50	EHGA	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1O	18276270	AEGJWEDIFNYMQN-UDWIEESQSA-N	326.396	3.549	50	50	EHGA	
C[C@@H]1C(C#N)=C(N)OC2=C1C(=O)C[C@@H](c1cccc3ccccc13)C2	64548989	XZQMHUGTNOOYFX-TZMCWYRMSA-N	330.387	3.901	50	50	EHGA	
O=C(NNC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1	1665925	XLJWRTSOGRDXLP-UHFFFAOYSA-N	339.182	3.852	50	50	EHGA	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cl)cc1O	273696	QJQCFRYFGXWNSH-CNHKJKLMSA-N	327.142	3.602	50	50	EHGA	
CCOc1ccc([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	19606603	BMSKLZWUUHXDNT-MJGOQNOKSA-N	344.418	3.679	50	50	EHGA	
Cn1cccc1CC(=O)N/N=C/c1cccc(Oc2ccccc2)c1	73581	SISOJJGGGDSXAR-RCCKNPSSSA-N	333.391	3.510	50	50	EHGA	
COc1ccc(C(=O)Oc2cccc(C)c2C(=O)CCl)cc1OC	71770190	AZYCWQWPQWJDDC-UHFFFAOYSA-N	348.782	3.653	50	50	EHGA	
C/C(=N/NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(Br)cc1	245377400	KRDBWWMPMKJBMX-RIKURRCESA-N	335.245	3.726	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)CCC3)c(C(F)(F)F)c1	799753618	KKQKNJJSRAMJPN-UHFFFAOYSA-N	345.324	3.823	50	50	EHGA	
N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)[C@H]1c1ccccc1	63300	GMOZPIWJNXJPFA-FQEVSTJZSA-N	341.414	3.991	50	50	EHGA	
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3cc2O)cc1C	15934082	GUDGIYZYBUYYKY-UHFFFAOYSA-N	349.390	3.629	50	50	EHGA	
C/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(F)cc1	4989744	NLFSTRCYVJSSKL-VCHYOVAHSA-N	335.176	3.742	50	50	EHGA	
CN(C)C(C/C=N/OCc1c(Cl)cccc1Cl)=C(C#N)C#N	5524771	MAOMXYWINFROPH-IFRROFPPSA-N	337.210	3.749	50	50	EHGA	
CCc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)[nH]n2)cc1	18115090	VVKXIROPZCSXRS-FYJGNVAPSA-N	332.407	3.711	50	50	EHGA	
CC(C)[C@H](NC(=O)[C@H](C)Cl)[C@@H](O)c1cccc(C(F)(F)F)c1	1875377912	RBOIWAVYZUQSHL-XDTLVQLUSA-N	337.769	3.507	50	50	EHGA	
O=C(N/N=C/c1cccc(O)c1O)c1ccc(-c2ccccc2)cc1	283325	DHTSXAPOUBKDEZ-FYJGNVAPSA-N	332.359	3.529	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)c(Cl)cc2[C@H]1c1ccccc1Cl	292284	PDTDAALRHMPNCF-OAHLLOKOSA-N	333.174	3.917	50	50	EHGA	
COc1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC	438929	HQGMYAWFXDHBLG-FYJGNVAPSA-N	340.423	3.765	50	50	EHGA	
C=CCOc1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1OCC	2763904	OOHDQOLHEDFKAX-FYJGNVAPSA-N	342.370	3.553	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(Cl)c1Cl	47859	DAGBSRIPEUKVTD-ZDUSSCGKSA-N	335.190	3.808	50	50	EHGA	
CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CC[C@H](C)C2	3269788	MGZCOZQRUHDERD-DTWKUNHWSA-N	329.849	3.615	50	50	EHGA	
COc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OC	2901807	AJPJIPYVXWDABV-OQLLNIDSSA-N	325.364	3.785	50	50	EHGA	
CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@]2(CCCO2)[C@@]2(CCCO2)C1=O	169834161	CGOFNONQBVUREP-ZTFGCOKTSA-N	340.536	3.838	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@@H]1c1ccc(Cl)cc1Cl	58311	OCNISWAUBSKCDQ-HNNXBMFYSA-N	332.190	3.794	50	50	EHGA	
O=C(NNc1nc2ccccc2s1)c1ccc(Br)cc1	440012	VBWLKVDVISAUJT-UHFFFAOYSA-N	348.225	3.816	50	50	EHGA	
Cc1ccccc1NC(=S)NNC(=O)Nc1cccc(Cl)c1	2143147	FGEIDZDKEDCAFN-UHFFFAOYSA-N	334.832	3.672	50	50	EHGA	
CCCCOc1ccc(C(=O)NNC(=O)c2ccc(CC)cc2)cc1	2831698	UOFAXAZGVCTILW-UHFFFAOYSA-N	340.423	3.503	50	50	EHGA	
COc1cccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)c1	4033878	PKGZJIVVVQEFBT-XZHCKZKCSA-N	346.390	3.514	50	50	EHGA	
O=C(O)c1ccc(CP(=O)(c2ccccc2)c2ccccc2)cc1	15854248	IMKJFAGEJHGYQF-UHFFFAOYSA-N	336.327	3.899	50	50	EHGA	
C[C@@H](Cl)C(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)N1CCCC1	1875380636	USYVWPGLLRNAIQ-IAQYHMDHSA-N	344.833	3.624	50	50	EHGA	
CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1	19798613	YRVJWAPWCXECOV-SFHVURJKSA-N	336.391	3.543	50	50	EHGA	
CN(C(=O)c1ccc(-c2noc(CCl)n2)cc1)C1CCCCC1	34924942	VSOMEIXMMUEPTA-UHFFFAOYSA-N	333.819	3.880	50	50	EHGA	
O=C(N/N=C/c1ccc(O)c(O)c1)c1ccc(-c2ccccc2)cc1	298026	VSFMQDMWHMRWGG-FYJGNVAPSA-N	332.359	3.529	50	50	EHGA	
Cc1ccc(NC(=O)NNC(=O)c2csc3c2CC[C@@H](C)C3)cc1	17071703	XSFFEBLAWFEOKH-GFCCVEGCSA-N	343.452	3.648	50	50	EHGA	
CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(N1)c1ccccc1C2=O	20219241	DLRXUTMORORTAJ-SFHVURJKSA-N	342.354	3.507	50	50	EHGA	
COc1cc2c(cc1C)/C(=N\NC(=O)c1cccc(F)c1)CCC2	100311013	YMVAZNASVORHGH-FXBPSFAMSA-N	326.371	3.613	50	50	EHGA	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(F)cc2)cc1	4210807	FCIJFARUHDKZJG-LPYMAVHISA-N	335.382	3.997	50	50	EHGA	
CCc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3)[nH]n2)cc1	18148505	KXTXMCHHBAHUDS-KGENOOAVSA-N	332.407	3.793	50	50	EHGA	
C[Si](C)(C)O[Si](C)(CCCOC[C@@H]1CO1)O[Si](C)(C)C	195761586	YSIQPJVFCSCUMU-CYBMUJFWSA-N	336.653	3.567	50	50	EHGA	in-vitro
CC1(C)OB(c2cncc(O[Si](C)(C)C(C)(C)C)c2)OC1(C)C	299738092	MXOPERGWONXHFF-UHFFFAOYSA-N	335.329	3.765	50	50	EHGA	
CC(C)(C)OC(=O)N1C[C@H](C2CCCCC2)C[C@@H]1C(=O)OCCl	675060154	BPPUYCWZQCMMHK-ZIAGYGMSSA-N	345.867	3.932	50	50	EHGA	
O=C(CCl)Nc1ncc(Cc2ccc(Br)cc2)s1	134138	IHCCIECQTFCSTF-UHFFFAOYSA-N	345.649	3.674	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1cccc(C(F)(F)F)c1	283135	NVZJGVQNEUMXLV-AWEZNQCLSA-N	334.297	3.520	50	50	EHGA	
N#CC1=C(N)Oc2[nH]nc(-c3cccs3)c2[C@@H]1Cc1ccccc1	549930	DFAQPLYCRBGMST-GFCCVEGCSA-N	334.404	3.551	50	50	EHGA	
CN(C)C(C/C=N/OCc1cccc(Cl)c1Cl)=C(C#N)C#N	5524790	YTSPAQPOHCVDME-IFRROFPPSA-N	337.210	3.749	50	50	EHGA	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	16319776	TULUQKLZLXVTKE-ZSOIEALJSA-N	340.335	3.685	50	50	EHGA	
Cc1cc(CN(C)C(=O)[C@@H](C)Cl)cc(C)c1OCC(F)(F)F	1875364084	IDBFYUKOTWAOEG-LLVKDONJSA-N	337.769	3.830	50	50	EHGA	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cccc(Cl)c1	125873	RMPZFHUOSXNZFH-OAHLLOKOSA-N	328.799	3.791	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccccc1	5296547	LXDKLAVZAGBVHS-UDWIEESQSA-N	338.798	3.884	50	50	EHGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)[C@H]1C[C@@H]1c1ccccc1	1444145	MOQSZZSTUZVQNG-HWPLOXAPSA-N	330.387	3.799	50	50	EHGA	
COC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1	59254	YKSUGLLEPLOZFO-LJQANCHMSA-N	346.386	3.608	50	50	EHGA	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1ccc(O)cc1	8995503	WOKONWIJENVFOJ-MRXNPFEDSA-N	336.416	3.664	50	50	EHGA	
Cc1ccc(/C=N\NC(=O)[C@@H]2Cc3c(ccc4ccccc34)O2)cc1	29763733	BWHCVYXLVQGFNU-CWGWECIMSA-N	330.387	3.602	50	50	EHGA	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1	550957	INSCAFMGYGRJSL-IFRROFPPSA-N	333.178	3.634	50	50	EHGA	
C/C(=N\NC(=O)c1n[nH]c2c1CCCC2)c1cccc2ccccc12	19893116	XPHVEPWLANHLGE-FYJGNVAPSA-N	332.407	3.596	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc(C=O)c(F)n2)C1	169794143	CFPRUZQZFKQVDQ-CYBMUJFWSA-N	338.499	3.881	50	50	EHGA	in-vitro
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(Cl)c(Cl)c1	242332	PRUMMGPBAFGTQN-OAHLLOKOSA-N	333.174	3.917	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)[C@H](C)Cn2cnc3ccccc32)cc1	544479	HOFSJDNDSGLJDQ-PLVXZXGYSA-N	348.450	3.946	50	50	EHGA	
C/C(=N\NC(=O)c1c(O)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	17072511	QZQFQVZXODFBCD-UDWIEESQSA-N	349.346	3.608	50	50	EHGA	
CN(CC(=O)/C(C#N)=C1/Nc2ccccc2S1)C1CCCCC1	101028291	BODJEXRIVIMTBZ-JXAWBTAJSA-N	327.453	3.773	50	50	EHGA	
O=C(Cc1ccccc1)N/N=C/C(Br)=C/c1ccccc1	298559	KOXIJEZBPHBDEW-QXIFBVARSA-N	343.224	3.767	50	50	EHGA	
N#CCCCSC1=C(C#N)[C@H](c2ccccc2Cl)CC(=O)N1	8994546	RQPHADTXQUHGTR-LBPRGKRZSA-N	331.828	3.716	50	50	EHGA	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1O	4360139	MXGUBMOTIJUXND-FYJGNVAPSA-N	334.375	3.708	50	50	EHGA	
O=C(Nc1ccn(C23CC4CC(CC(C4)C2)C3)n1)C(Cl)Cl	6828569	MVHVKKQBCITURK-UHFFFAOYSA-N	328.243	3.551	50	50	EHGA	
CCCCSC1=C(C#N)[C@@H](c2cccnc2)C(C(C)=O)=C(C)N1	22034621	VJPVTKFCFBZHFP-QGZVFWFLSA-N	327.453	3.900	50	50	EHGA	
CCCCCCN1C(=O)C(=NNC(=O)c2ccccc2)c2ccccc21	253534117	ZGQHMZCITJHYOW-UHFFFAOYSA-N	349.434	3.748	50	50	EHGA	
C[C@@H](Cl)C(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3	1875363453	AVZVUEQWFFFBCK-CHWSQXEVSA-N	349.858	3.800	50	50	EHGA	
Cc1ccc(S(=O)(=O)n2cc(C=C(C#N)C#N)c3ccccc32)cc1	1396171	DQRYXIIUHKGHQA-UHFFFAOYSA-N	347.399	3.617	50	50	EHGA	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(=O)O)cc1	7155499	TZAFGBQJVOLJIF-LFIBNONCSA-N	329.359	3.839	50	50	EHGA	
Br[C@H]1C[C@]23CC[C@@]2(CSC3)C[C@H]1Br	101037796	JVPIKUYAMFZXQP-JXUBOQSCSA-N	326.097	3.821	50	50	EHGA	
CC(C)(C)OC(=O)N/N=C(\Cc1ccc(Cl)cc1)NC1CCC1	66323329	YLGSPSGUXBYUKL-UHFFFAOYSA-N	337.851	3.863	50	50	EHGA	
CCOc1cc2c(cc1/C=C(/C#N)c1ccc(C(=O)O)cc1)OCO2	12730785	FHYVJFANUVMOLV-CHHVJCJISA-N	337.331	3.576	50	50	EHGA	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)c1cc(-c2ccccc2)n[nH]1	1907589	FTURORQJMPESRY-CIAFOILYSA-N	343.390	3.630	50	50	EHGA	
COC(=O)[C@]12C(=O)CCC[C@H]1CC=C[C@@H]2O[Si](C)(C)C(C)(C)C	169835243	VVZKYPDCJRATIN-YEWWUXTCSA-N	338.520	3.865	50	50	EHGA	
CC(C)c1ccc(/C=N/NC(=O)COc2cccc(Cl)c2)cc1	94161	DPZNIWZEQJZQLR-RGVLZGJSSA-N	330.815	3.993	50	50	EHGA	
C[C@@H](c1ccccc1)[C@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	83354	DLGHPCQUNMMSHA-SJCJKPOMSA-N	344.370	3.767	50	50	EHGA	
Cc1cc(C(=O)N/N=C/c2coc3ccc(Cl)cc3c2=O)cs1	2743921	MAHFTPQRXCJSNX-NGYBGAFCSA-N	346.795	3.580	50	50	EHGA	
CCOCCSC1=C(C#N)[C@H](c2cccs2)C(C(C)=O)=C(C)N1	4642267	BTGUMAPVHDLGFQ-MRXNPFEDSA-N	348.493	3.803	50	50	EHGA	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N(C)C)c([N+](=O)[O-])c3)nc2c1	4955479	KLCPMEZESFCTNC-ZROIWOOFSA-N	347.378	3.910	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CCN(c2ccc(C#N)c(F)n2)C1	169794017	AWORSJZNQVJMQP-ZDUSSCGKSA-N	335.499	3.940	50	50	EHGA	in-vitro
N#Cc1ccc(NNC(=O)c2ccc(F)c(F)c2)c(C(F)(F)F)c1	799753660	MIUCWKGKVMWMQH-UHFFFAOYSA-N	341.239	3.612	50	50	EHGA	
O=C(CCl)NC[C@@H](OCc1ccccc1)c1ccc(Cl)cc1	1875383888	GFTDAXXVHLPMER-MRXNPFEDSA-N	338.234	3.953	50	50	EHGA	
CCCc1cc(C(=O)NNC(=S)Nc2cccc(C)c2)cs1	8684209	LAWMTNHANIOMNE-UHFFFAOYSA-N	333.482	3.640	50	50	EHGA	
COc1cc(N2CCOCC2)ccc1/C=C(/C#N)c1ccc(F)cc1	13479797	DVYDRBNUWFKLDM-ATVHPVEESA-N	338.382	3.735	50	50	EHGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(Br)cc1	245226846	OHEOKZNCXBDYNE-OLXINACNSA-N	335.245	3.726	50	50	EHGA	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccncc3)cc2)cc1	573308	JUWBYXGRHGUNKM-OEAKJJBVSA-N	345.402	3.733	50	50	EHGA	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3F)[C@H]2C1	229973159	NBOFPVQICDKUMJ-HNJNHCNJSA-N	332.382	3.665	50	50	EHGA	
CCOc1ccc([C@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1	28030	BMSKLZWUUHXDNT-HKUYNNGSSA-N	344.418	3.679	50	50	EHGA	
CCCOc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1	1780846	XWBPRLIFYPVQQM-QGOAFFKASA-N	327.405	3.814	50	50	EHGA	
C/C(=N\NC(=O)c1cccc(C(F)(F)F)c1)c1ccc(C)nc1C	1875252888	TUBFAQQYFLVQLE-WSDLNYQXSA-N	335.329	3.871	50	50	EHGA	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Cl)cc2Cl)cc1	58823	YDSYIAPVXMQZRA-AWQFTUOYSA-N	336.222	3.864	50	50	EHGA	
Cc1ccc(COc2ccc(C(=O)N/N=C/c3ccncc3)cc2)cc1	4360639	GFGGJFGXFHYHJS-OEAKJJBVSA-N	345.402	3.733	50	50	EHGA	
CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1OC(=O)OCCCl	104126820	IEHKVLPRHLZMNF-QMMMGPOBSA-N	346.723	3.771	50	50	EHGA	
CCOc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)cc3)[nH]n2)cc1	5297117	QSHDTTDNTBZCCB-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cccs1	12467566	AUBWDQWJMZTTCB-VCHYOVAHSA-N	344.827	3.946	50	50	EHGA	
O=C([C@@H](F)Cl)N1CC2(CCC2)Oc2ccc(Br)cc21	2325898585	MKVHDBXDJRTFFC-LLVKDONJSA-N	348.599	3.632	50	50	EHGA	
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=O)cc1	45578	HPUVIXGUYAQPCL-WSDLNYQXSA-N	347.422	3.665	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	59600	TWHGQPJIROGUDI-FYJGNVAPSA-N	334.375	3.708	50	50	EHGA	
CC(/C=N/NC(=O)CCn1cnc2ccccc21)=C\c1ccccc1	5494350	GKYMXLSGPVIWMR-JCIZPVLLSA-N	332.407	3.632	50	50	EHGA	
CCCCCCCCCCCC(=O)NCC(=O)N/N=C/c1ccco1	102294907	LZFVFBVCHHIEEI-RCCKNPSSSA-N	349.475	3.767	50	50	EHGA	
Cc1ccc(-c2n[nH]c3c2[C@H](c2ccsc2)C(C#N)=C(N)O3)cc1	426238	ZAEJLQXNKYASEU-CQSZACIVSA-N	334.404	3.665	50	50	EHGA	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)[nH]n2)s1	232886	MNKPZMAHJVITDO-GIJQJNRQSA-N	344.827	3.864	50	50	EHGA	
CC(C)(C)OC(=O)N1CCc2cc(CBr)ccc2C1	91302904	IZYPQVWVZKITBP-UHFFFAOYSA-N	326.234	3.875	50	50	EHGA	
CCOC(=O)C(CC)(CO[Si](C)(C)C(C)(C)C)C(=O)OCC	1772572614	HOOACVDSEICKCV-UHFFFAOYSA-N	332.513	3.531	50	50	EHGA	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1O	446097	YEXDYXPFJZNRLO-MDWZMJQESA-N	342.782	3.908	50	50	EHGA	
N#Cc1ccc(NNC(=O)c2ccccc2Cl)c(C(F)(F)F)c1	799746281	FAQQQMUPRLICFI-UHFFFAOYSA-N	339.704	3.987	50	50	EHGA	
O=C(CBr)c1c(Cl)cc(F)cc1Br	263623480	HVAZJXJHKMHWCE-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
Oc1c(Br)cc(Br)cc1CBr	2527892	SPUZPJKEJXIRSF-UHFFFAOYSA-N	344.828	3.812	50	50	EHGA	in-vitro
CCOc1ccc(/C=N/NC(=O)c2cc(C)nc3ccccc23)cc1	262873	CMMWSAJVHDUDEH-FYJGNVAPSA-N	333.391	3.706	50	50	EHGA	
Cc1cc(C(=O)N/N=C/c2c[nH]nc2-c2ccc(Cl)cc2)cs1	17071945	DLPRKSGWODWGKM-UFWORHAWSA-N	344.827	3.864	50	50	EHGA	
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1c(Cl)cccc1Cl	196785	SQNVSKVIMSIOLL-CQSZACIVSA-N	332.190	3.794	50	50	EHGA	
O=C(NCCBr)OCC1c2ccccc2-c2ccccc21	2569586	GDIPNIOJNLDDRP-UHFFFAOYSA-N	346.224	3.920	50	50	EHGA	
CCCCc1ccc(NC(=S)NNC(=O)c2ccccc2F)cc1	2857113	VHMJRICUFORCQM-UHFFFAOYSA-N	345.443	3.800	50	50	EHGA	
NNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccc(Cl)cc12	6333496	WVIVHQATIWXCFB-UHFFFAOYSA-N	332.190	3.812	50	50	EHGA	
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)C(C#N)=C(S)N1	17951467	OEMPTTZLVWHUMY-SFHVURJKSA-N	347.443	3.951	50	50	EHGA	
Cc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)s1	186687	ZNGJGOCEIOUTAV-LZYBPNLTSA-N	347.490	3.909	50	50	EHGA	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)o1	15745635	QKBPSKBHXZCCCI-XFFZJAGNSA-N	331.169	3.896	50	50	EHGA	
O=C(NNC(=O)c1sc2ccccc2c1Cl)c1cccs1	587022	LGBPGMPZFKYLOP-UHFFFAOYSA-N	336.825	3.691	50	50	EHGA	
Cc1[nH]c2ccccc2c1[C@@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	405346	XWDRMZJNLYPLOB-SFHVURJKSA-N	347.418	3.927	50	50	EHGA	
O=C(NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(Cl)c1	2141548	UUYFBRZRPOUMNX-UHFFFAOYSA-N	343.597	3.722	50	50	EHGA	
O=C(O)[C@@H](Br)[C@H](Br)c1ccc(Cl)cc1	1712227	VVMCVHQTBODLRQ-SFYZADRCSA-N	342.414	3.624	50	50	EHGA	in-vitro
COCCn1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C	12393040	RBMCDAWKPBQATE-YVLHZVERSA-N	325.368	3.724	50	50	EHGA	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc2c(c1)OCO2	208264	QEEUJPYNXNOABM-IBGZPJMESA-N	342.354	3.787	50	50	EHGA	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(Br)c1	245226688	ILBXUJRFLDGOKY-OLXINACNSA-N	335.245	3.726	50	50	EHGA	
CC[C@H](Nc1ccc(OC)cc1)C(=O)NN=C(C)c1ccc(C)cc1	245240011	NVGBOKGNNSZOAP-IBGZPJMESA-N	339.439	3.735	50	50	EHGA	
Clc1ccc(I)cc1CBr	71257464	DFDCZEQSQMAKJJ-UHFFFAOYSA-N	331.378	3.840	50	50	EHGA	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccc2Cl)n[nH]1	232768	QKAYVZGPIZPPOW-KEBDBYFISA-N	342.761	3.633	50	50	EHGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2cccc3ccccc23)c1	4956222	AIAUGAYQEZTIGT-WXUSHSQQSA-N	348.402	3.766	50	50	EHGA	
Cc1cccc(NC(=O)NNC(=O)c2ccc(Cl)c(Cl)c2)c1	370734	RUFYQMZOGBNYPX-UHFFFAOYSA-N	338.194	3.768	50	50	EHGA	
O=C(Cl)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F	95676783	JBOWALSHDVHATH-UHFFFAOYSA-N	344.507	3.650	50	50	EHGA	
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc2ccccc2cc1O	59606	FBJOMYQWGMFGFJ-WSDLNYQXSA-N	329.359	3.791	50	50	EHGA	
CCN(CC)c1ccc2c(c1)OC(N)=C(C#N)[C@@H]2c1cccs1	197073	QULNWUQQUXAQEX-QGZVFWFLSA-N	325.437	3.812	50	50	EHGA	
CC(C)(C)c1ccc(C(=O)NNC(=O)c2ccc(Cl)cc2)cc1	296371	LFESNRVWSUTKNI-UHFFFAOYSA-N	330.815	3.712	50	50	EHGA	
COC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1	449273	FIJWRCNVKORZPX-GZTJUZNOSA-N	334.375	3.636	50	50	EHGA	
CCOC(=O)C1=C(C)NC(Cl)=C(C=O)[C@@H]1c1ccc(Cl)cc1	19925388	WZTLFOBTWDMYHI-AWEZNQCLSA-N	340.206	3.513	50	50	EHGA	
Cc1ccc(C)c([C@H]2[C@@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	43563	FZOUNTPCWTWXPW-VQIMIIECSA-N	328.419	3.897	50	50	EHGA	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccnc1	438709	RTZWNSIXMIXFEM-RGVLZGJSSA-N	325.755	3.759	50	50	EHGA	
CN(C)c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1	486751	JMTQSTHQFVMIRE-PXLXIMEGSA-N	331.419	3.599	50	50	EHGA	
C/C(=N\NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(Cl)cc1	12362462	XGWSHWUIUDLJOC-VCHYOVAHSA-N	344.827	3.946	50	50	EHGA	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c1	1775988425	HJZUYFRWSOZLDR-VXLYETTFSA-N	336.222	3.823	50	50	EHGA	
CC(C)COc1cccc(-c2cc(C(=O)NN)c3ccccc3n2)c1	2775346	GACFTLVXJJSZEQ-UHFFFAOYSA-N	335.407	3.540	50	50	EHGA	
Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H](C)Cl	1875364672	PXIOQJMXDDTTDQ-JQWIXIFHSA-N	332.275	3.792	50	50	EHGA	
CCOC(=O)C1=C(C)NC(S)=C(C#N)[C@@H]1c1cccc(Cl)c1	19902338	WHTWGCQZMIGEAV-AWEZNQCLSA-N	334.828	3.529	50	50	EHGA	
Cn1cc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c2ccccc21	524619	FSCCIOCGRXLRCZ-WSDLNYQXSA-N	343.386	3.801	50	50	EHGA	
O=C(O)c1cccc(CP(=O)(c2ccccc2)c2ccccc2)c1	301444	QZIDVMOPKFVEFW-UHFFFAOYSA-N	336.327	3.899	50	50	EHGA	
COc1ccccc1OCC(=O)NN=C1CCC(C(C)(C)C)CC1	4366505	PIOHJEXFIDLJLQ-UHFFFAOYSA-N	332.444	3.783	50	50	EHGA	
C/C=C1/C[N@@+]2(CCC)CC[C@@]34C(=C(C=O)[C@H]1C[C@H]32)Nc1ccccc14	257361227	NNGQLOSIKGOGJJ-ITYCZWEASA-O	335.471	3.782	50	50	EHGA	
CCCc1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1	354377	PDFYKSDNTSKYFL-UDWIEESQSA-N	330.815	3.822	50	50	EHGA	
CCOc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1	2365753	LTGMCMNMIOTXJV-FYJGNVAPSA-N	348.406	3.548	50	50	EHGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)[C@@H]1C[C@@H]1c1ccccc1	58677	MOQSZZSTUZVQNG-QLCJNQITSA-N	330.387	3.799	50	50	EHGA	
C/C(=N\NC(=O)c1[nH]nc2c1CCCC2)c1ccc2ccccc2c1	8837988	HBUFCPYXEWJTTC-FYJGNVAPSA-N	332.407	3.596	50	50	EHGA	
O=C(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NNc2ccccc2)c1	1384759	LULLMBBFEHXWNU-UHFFFAOYSA-N	339.782	3.656	50	50	EHGA	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)c([N+](=O)[O-])cc1OC	12364103	YZZKABOCMLXMJQ-QPEQYQDCSA-N	328.299	3.815	50	50	EHGA	
N#C/C(=C/c1ccc(I)o1)c1ccc(C#N)cc1	16400529	PARXMZOWGDILLR-GHXNOFRVSA-N	346.127	3.820	50	50	EHGA	
CC(C)(C)[Si](C)(C)OC[C@H]1CN(Cc2ccccc2)CC[C@@H]1O	204708142	TUJUGHMRJSEITE-MSOLQXFVSA-N	335.564	3.891	50	50	EHGA	
COc1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1	4209798	MERKOVYDFPHEBC-HYARGMPZSA-N	347.418	3.867	50	50	EHGA	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2[N+](=O)[O-])s1	6489971	BCKHZYIZDPHYFD-PKNBQFBNSA-N	327.365	3.764	50	50	EHGA	
C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Cl	2559967	AFMYCMGTXVCJCH-NSHDSACASA-N	329.783	3.679	50	50	EHGA	
CC(C)(C)OC(=O)NCCCCCCI	39092089	LOAMYYKULCCZAM-UHFFFAOYSA-N	327.206	3.507	50	50	EHGA	
CSc1ccc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCO3)cc1	17070983	OCNWQHJHOBJRTH-MDWZMJQESA-N	338.388	3.683	50	50	EHGA	
Cc1ccc(C)c([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c1	292261	INZOHEYWXLRFSQ-KRWDZBQOSA-N	344.370	3.628	50	50	EHGA	
C[C@H]1CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc2ccccc2c1	293388	WDPHEUAANZONJB-BUXKBTBVSA-N	330.387	3.901	50	50	EHGA	
C/C(=N\NC(=O)Nc1ccccc1)c1ccc(Br)cc1	12343166	WRWOAKWVTDBVKM-WOJGMQOQSA-N	332.201	3.995	50	50	EHGA	
Cc1cc(C)c2c3c(sc2n1)[C@@]1(CCS[C@@H]1C)C(C#N)=C(N)O3	118858	LOWNOVUONDCCAL-BMLIUANNSA-N	343.477	3.763	50	50	EHGA	
Cc1ccc(C)c([C@@H]2[C@H]3CCCC=C3C(C#N)=C(N)C2(C#N)C#N)c1	43566	FZOUNTPCWTWXPW-LPHOPBHVSA-N	328.419	3.897	50	50	EHGA	
CCOC(=O)c1c(NC(=O)[C@@H](C)Cl)sc2c1CCCCC2	26422838	FCOSMKNRFHIRSI-SECBINFHSA-N	329.849	3.760	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl	43594	KTIWQDVFXBVHCJ-AWEZNQCLSA-N	335.190	3.808	50	50	EHGA	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1	442112	VSRQDTDQACSHHR-MDWZMJQESA-N	326.308	3.633	50	50	EHGA	
Cc1ccc(C)c(NC(=S)NNC(=O)c2csc(C)c2C)c1	8684208	PDKLWPSFFQESMQ-UHFFFAOYSA-N	333.482	3.613	50	50	EHGA	
CCSC1=C(C#N)[C@H](c2ccc(Br)cc2)CC(=O)N1	8973219	DNGXEXAQHVINIL-NSHDSACASA-N	337.242	3.541	50	50	EHGA	
CCc1ccccc1NC(=O)NNC(=O)c1ccc2ccccc2c1O	15933752	CINXMSBNGIJLIP-UHFFFAOYSA-N	349.390	3.574	50	50	EHGA	
Cc1[nH]c2ccccc2c1[C@H]1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2	405345	XWDRMZJNLYPLOB-GOSISDBHSA-N	347.418	3.927	50	50	EHGA	
CC(/C=C/c1ccccc1)=N/NC(=O)CCC(=O)Nc1ccccc1C	4751031	DEMGJMLNABSOBB-RLYBTUELSA-N	349.434	3.919	50	50	EHGA	
Cc1nc2sccn2c1C(=O)N/N=C/c1ccc(C(C)C)cc1	68001	KQKYHTIVSCNSFG-VCHYOVAHSA-N	326.425	3.592	50	50	EHGA	
COc1ccc(/C=N/NC(=O)c2csc3ccccc23)c(OC)c1	371668	KFVYIJBLORCQLF-VXLYETTFSA-N	340.404	3.682	50	50	EHGA	
COc1ccc(OC)c(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1	15012372	FVJQSAMTTKLPKI-LCYFTJDESA-N	342.782	3.903	50	50	EHGA	
N#C/C(=C\c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccs1	4052562	MAVPWXZBXORPJP-GXDHUFHOSA-N	341.392	3.557	50	50	EHGA	
C/C(=N\NC(=O)[C@@H]1[C@H]2CCCC[C@H]21)c1ccc(Br)cc1	245296108	KRDBWWMPMKJBMX-VFPARUJBSA-N	335.245	3.726	50	50	EHGA	
N#Cc1ccc(CN(Cc2ccc(Cl)cc2)C(=O)CCl)cc1	2325904035	INHQUDNBZVIXSZ-UHFFFAOYSA-N	333.218	3.979	50	50	EHGA	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1ccco1	4365985	SQHSRSUPGINQLY-HFITWMCCSA-N	334.375	3.864	50	50	EHGA	
COc1cccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1	371369	KRDJKIAHPVHLFX-HSWQHBDASA-N	346.814	3.575	50	50	EHGA	
COC(=O)C12c3ccccc3C(c3ccccc31)[C@@H](Cl)[C@H]2Cl	101037821	JGYHLATUNVJIFG-GARNVTTQSA-N	333.214	3.819	50	50	EHGA	
C[C@H](Br)C(=O)Nc1ccc(OCc2ccccc2)cc1	235451983	NTTNZHVTEQZYAP-LBPRGKRZSA-N	334.213	3.988	50	50	EHGA	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccccc1C(F)(F)F	207812	KKTHLVBGOQGAJF-OAHLLOKOSA-N	332.281	3.629	50	50	EHGA	
O=C(N/N=C/c1ccccc1O)c1ccccc1OCc1ccccc1	286370	GNOWYUYGTMBLPQ-HYARGMPZSA-N	346.386	3.735	50	50	EHGA	
COc1ccccc1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	353629	LBYHTRPUTZVCMX-XQNSMLJCSA-N	344.414	3.977	50	50	EHGA	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1	445209	KBRDRANHTAYJQF-CSKARUKUSA-N	347.168	3.596	50	50	EHGA	aggregator
COc1cc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O	19833562	DCHGSUCWBGROIS-GOSISDBHSA-N	338.407	3.528	50	50	EHGA	
C[C@H](NC(=O)CCl)c1ccc(-n2cnc3ccccc32)c(F)c1	1875384973	ZVAGHIUPMGLLKA-NSHDSACASA-N	331.778	3.581	50	50	EHGA	
O=C(CCl)N1CCN([C@@H](c2ccccc2)C2CCCCC2)CC1	1875387009	JDEVBATVXNYFFP-IBGZPJMESA-N	334.891	3.691	50	50	EHGA	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)c(C)c1	283275	ZITJJGYVGYBPDV-KRWDZBQOSA-N	344.370	3.628	50	50	EHGA	
COC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	1788250	IPAUOJCZMXREED-DHZHZOJOSA-N	332.153	3.789	50	50	EHGA	
C/C(=N\NC(=O)c1cc(C2CC2)n[nH]1)c1ccc(Cl)cc1Cl	5353420	GSGDHNSLBHEEKI-QGMBQPNBSA-N	337.210	3.748	50	50	EHGA	
O=C(/C=C/c1cncc(F)c1)NN=C(c1ccccc1)c1ccccc1	303258204	OTESYLONGOMAIN-VAWYXSNFSA-N	345.377	3.803	50	50	EHGA	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccc(Cl)s2)n[nH]1	4312319	KNTGNPOEVPVMEC-QGMBQPNBSA-N	348.790	3.695	50	50	EHGA	
C[C@@H](CCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C	169837383	RKCMDKZBHHXRIQ-SFHVURJKSA-N	342.555	3.582	50	50	EHGA	
O=C(CSc1nc2ccccc2s1)N/N=C/c1ccccc1F	191802	DCTQHRJJJROGHK-GIJQJNRQSA-N	345.424	3.678	50	50	EHGA	
C#CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc2ccccc2[nH]1	5028279	DIKYRYNZQSGOQF-UVTDQMKNSA-N	344.330	3.547	50	50	EHGA	
CN(C)c1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	33346603	RMCDEBSJZWCSSH-BOPFTXTBSA-N	346.839	3.744	50	50	EHGA	
C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc(CN[C@H](C)CO)s1	225660949	NGWAIVIJNMNXNM-NEPJUHHUSA-N	330.570	3.696	50	50	EHGA	
CC[C@H](Cl)C(=O)Oc1c([C@H](C)CC)cc([N+](=O)[O-])cc1[N+](=O)[O-]	2162129	ZTSQTSMDPFKVOF-KCJUWKMLSA-N	344.751	3.939	50	50	EHGA	
C[C@@H](C(=O)N1CCC2(CC1)C[C@H]2Br)c1cccs1	1775999124	OHQCQUHRZQQDHL-ZYHUDNBSSA-N	328.275	3.628	50	50	EHGA	
C/C(=N\NC(=O)c1scnc1C)c1cccc(C(F)(F)F)c1	1875256054	MPHRKGMRIUNFCH-UFWORHAWSA-N	327.331	3.624	50	50	EHGA	
Cc1cccc(-n2nnc(C(=O)Nc3ccc(SC#N)cc3)c2C)c1	5033439	MIAHJTNTYFPEME-UHFFFAOYSA-N	349.419	3.710	50	50	EHGA	
C[C@H](Cl)C(=O)NCc1nc2c(s1)C[C@H](c1ccccc1)CC2	1875377908	QYLMLOKVMVMKSV-WCQYABFASA-N	334.872	3.659	50	50	EHGA	
Cc1n[nH]c2c1[C@H](c1cccc(Oc3ccccc3)c1)C(C#N)=C(N)O2	85580	IIAPOSMAYUERMP-GOSISDBHSA-N	344.374	3.729	50	50	EHGA	
O=C(N/N=C/C=C/c1ccccc1)c1ccccc1Br	2311410	HMZWHRIVBASEKA-PXYULHTISA-N	329.197	3.878	50	50	EHGA	
N#CC1=C(N)N2C(=C(C#N)[C@H]1c1cccs1)Sc1ccccc12	432617	IVSZCOHBNHMDNC-HNNXBMFYSA-N	334.429	3.887	50	50	EHGA	
Cc1ccc(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)cc1F	799749397	QFLVSNZPILRQRS-UHFFFAOYSA-N	337.276	3.782	50	50	EHGA	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cc1	5297588	YTYLXHBSCXEAGT-FYJGNVAPSA-N	332.407	3.711	50	50	EHGA	
Cc1cccc(C)c1OCC(=O)NN=Cc1c(O)ccc2ccccc12	244608535	FEHBTOZIMWCQOJ-UHFFFAOYSA-N	348.402	3.691	50	50	EHGA	
O=C(CBr)c1cc(Cl)cc(F)c1Br	263624647	SGNVBRDXIOWOKP-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
C/C(=N\NC(=O)c1[nH]nc(-c2ccccc2)c1C)c1ccc(C)cc1	4637579	GKYMYRYQZPCNEL-RCCKNPSSSA-N	332.407	3.848	50	50	EHGA	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)NC1CCCCC1	222310159	GXCGTSTWBOKLLU-XYOKQWHBSA-N	333.775	3.604	50	50	EHGA	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1O	4169992	GHHOYYXAWAZILT-IZZDOVSWSA-N	325.755	3.995	50	50	EHGA	
CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)CC2=O)N1	19798611	YRVJWAPWCXECOV-GOSISDBHSA-N	336.391	3.543	50	50	EHGA	
C[C@H](Cl)C(=O)N(Cc1nc(C2CCCCCC2)no1)C1CC1	1875378284	YVBXCCFCHPPHJI-NSHDSACASA-N	325.840	3.626	50	50	EHGA	
C/C(=N\NC(=O)c1cccc(F)c1)c1cccc(NC(=O)C(C)C)c1	370735	DOBDUWDUHCMRFN-LPYMAVHISA-N	341.386	3.574	50	50	EHGA	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc2ccccc2n1	3211477	YDZLSKQNVAKTDB-LPYMAVHISA-N	341.370	3.858	50	50	EHGA	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1O	446020	QDUIQKGMTMUOBL-KPKJPENVSA-N	328.755	3.600	50	50	EHGA	
O=C(N/N=C/C=C/c1ccccc1)C(=O)Nc1cccc2ccccc12	2553423	GHAJINDWTJFAQA-AWFLEDEYSA-N	343.386	3.594	50	50	EHGA	
O=C(CBr)c1cc(Br)cc(Cl)c1F	263624115	NNBHQLPGZKCEQG-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
O=C(CBr)c1cc(F)c(Br)cc1Cl	263623376	GWGIHGZILRXSDM-UHFFFAOYSA-N	330.378	3.819	50	50	EHGA	
N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2[C@@H]1C1CCCCC1	4452969	SKRJFINWCFYLSL-CYBMUJFWSA-N	326.425	3.888	50	50	EHGA	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccs1	51324	GEMOXYJUYDPQOV-UGSOOPFHSA-N	348.427	3.957	50	50	EHGA	
O=C(O)[C@H](Br)[C@H](Br)c1ccc(Cl)cc1	1712229	VVMCVHQTBODLRQ-HTQZYQBOSA-N	342.414	3.624	50	50	EHGA	in-vitro
OB(O)c1ccc(N(c2ccccc2)c2cccc3ccccc23)cc1	169748372	BJNCAGKQHGBUJO-UHFFFAOYSA-N	339.203	3.989	50	50	EHGA	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(F)c(F)c2)[C@H]2CCCC=C12	19852424	CPAXASKJCOURIU-SUMWQHHRSA-N	336.345	3.558	50	50	EHGA	
CCCc1[nH]nc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C(C#N)=C(N)O2	4730571	RCAZDAKUZRUBRG-ZDUSSCGKSA-N	349.221	3.887	50	50	EHGA	
C[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@@H](c3ccccc3F)[C@H]2C1	39325038	NBOFPVQICDKUMJ-MRAWALMUSA-N	332.382	3.665	50	50	EHGA	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1C	441264	OFEXLVCYKNEKNC-YDZHTSKRSA-N	346.434	3.870	50	50	EHGA	
Cc1ccc(C)c(NC(=O)NNC(=O)Nc2cc(C)ccc2C)c1	2167459	HBCMTGUOLOJIPA-UHFFFAOYSA-N	326.400	3.778	50	50	EHGA	
C[C@H](Cl)C(=O)NC1(c2nc(-c3ccsc3)no2)CCCCC1	1875377718	LVWBWRGAKZJATG-JTQLQIEISA-N	339.848	3.701	50	50	EHGA	
O=C1[C@H]2CC=CC[C@@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl	100389324	JHRWWRDRBPCWTF-WDSKDSINSA-N	349.066	3.521	50	50	EHGA	endogenous,in-man
C=CCOC(=O)C1=C(C)OC(N)=C(C#N)[C@H]1c1cccc2ccccc12	3668263	CFKRGQPXWJXWIO-LJQANCHMSA-N	346.386	3.651	50	50	EHGA	
CCc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)Nc2nccs2)cc1	6627465	ASYWCILOKQRJSZ-NTEUORMPSA-N	349.419	3.641	50	50	EHGA	
COc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC	37521	MMJUJYOIYOJEPL-HYARGMPZSA-N	348.402	3.550	50	50	EHGA	
O=C(COc1ccccc1)NN=C(c1ccccc1)c1ccccc1	1405546	LAZNLTSFIAEVNQ-UHFFFAOYSA-N	330.387	3.634	50	50	EHGA	
CCCc1n[nH]c2c1[C@@H](c1cccc(C(F)(F)F)c1)C(C#N)=C(N)O2	616592	IJALQYROFIKJOI-ZDUSSCGKSA-N	348.328	3.599	50	50	EHGA	
N#Cc1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)cc1	46108	OGHASCCKEBVLPB-LFVJCYFKSA-N	339.398	3.840	50	50	EHGA	
C[C@H](c1ccccc1)[C@@H]1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21	83350	DLGHPCQUNMMSHA-SJKOYZFVSA-N	344.370	3.767	50	50	EHGA	
CC(=C/c1ccccc1)/C=N/NC(=O)COc1cccc(Cl)c1	2901507	RYSGHYMWBSRTIG-OOAUROHBSA-N	328.799	3.924	50	50	EHGA	
O=C(N/N=C/CCc1ccccc1)c1ccc([N+](=O)[O-])cc1Cl	4997056	OJIKNDLYJSLTAR-VCHYOVAHSA-N	331.759	3.597	50	50	EHGA	
COc1ccc2c(c1C)CCC/C2=N\NC(=O)c1cccc(F)c1	13111244	UUVGFJQSUBRZAN-HEHNFIMWSA-N	326.371	3.613	50	50	EHGA	
Cc1scc(C(=O)NNC(=O)Nc2ccc(C(C)C)cc2)c1C	17068119	BNKSLDFAQLQMBT-UHFFFAOYSA-N	331.441	3.955	50	50	EHGA	
C/C=C1\C[N@+]2(CCC)CC[C@]34C(=C(C=O)[C@H]1C[C@@H]32)Nc1ccccc14	252441291	NNGQLOSIKGOGJJ-QNRQTEQRSA-O	335.471	3.782	50	50	EHGA	biogenic
N#CC1=C(N)Oc2cc(N)ccc2[C@H]1c1ccc(Cl)c(Cl)c1	206044	LXDDESPTIKXBJI-OAHLLOKOSA-N	332.190	3.794	50	50	EHGA	
CC1=CS/C(=C(/C#N)C(=O)N2CCCCC2)N1c1ccccc1	311792	KHYZCHKQJMVAGA-VLGSPTGOSA-N	325.437	3.849	50	50	EHGA	
FC(F)(Br)[C@@](F)(Br)CCBr	2243099	YRQSISPSGIETOP-GSVOUGTGSA-N	348.782	3.820	50	50	EHGA	
O=C(CCC(=O)Nc1cccc2ccccc12)N/N=C/c1ccccc1	5772387	GYDVTJBOXJFPHD-PXLXIMEGSA-N	345.402	3.709	50	50	EHGA	
O=C(Cl)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1	2521292	LOEHDIYBRIFXRO-UHFFFAOYSA-N	325.677	3.794	50	50	EHGA	
CC(C)(C)OC(=O)N1CCC(=O)[C@@H](CO[Si](C)(C)C(C)(C)C)C1	169748393	JAHLOXSIZAHFSJ-CYBMUJFWSA-N	343.540	3.834	50	50	EHGA	
COC(=O)[C@]12C(=O)CCC[C@H]1CC=C[C@H]2O[Si](C)(C)C(C)(C)C	169835240	VVZKYPDCJRATIN-JOQOYGCGSA-N	338.520	3.865	50	50	EHGA	
CC(C)(C)OC(=O)N1CCC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)C1	169748394	JAHLOXSIZAHFSJ-ZDUSSCGKSA-N	343.540	3.834	50	50	EHGA