smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nc2ccc(Oc3ccccc3)cc2c(Nc2ccc(O)cc2)c1CCCl	1384370	HFRPQSPIXIFEKR-UHFFFAOYSA-N	404.897	6.566	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccc(Br)cc1	3215023	OHCMQUOCQAXYIH-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/C(Br)=C/c2ccccc2)c1	4480207	FGXYCMSICDQAMP-WVVFEJFTSA-N	415.331	5.035	50	40	HKGB	
Cc1cc(OCCCOc2cccc(/C=N/NC(=O)c3ccccc3)c2)ccc1Cl	4616953	HLLRXKXXHQLWBZ-YZSQISJMSA-N	422.912	5.260	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1sc(Oc2ccccc2)nc1Cl	24829435	FVKNGBJZCPEMHT-ACCUITESSA-N	411.870	5.143	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc(C)c1	33537566	PFSPAHMSLDDGRM-NDENLUEZSA-N	421.899	6.829	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1	33765088	LDNZQSATYLHQTK-FURGLNTGSA-N	416.550	5.203	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1	48573349	MOUYACWFFBDKSP-WSDLNYQXSA-N	417.690	5.055	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)cc1	59335541	GDCMXSOIPLIIMF-VBKFSLOCSA-N	407.267	5.563	50	40	HKGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3cc4ccccc4o3)cc2C(C)=CC1(C)C	208518617	CUKJKBXNIJBREM-YSMPRRRNSA-N	401.510	5.527	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cc(Cl)ccc1Cl	210655071	VNBNLXJUDCRNHM-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C	223577082	ULRIPUMHFNIRPY-LSPINASFSA-N	421.972	6.306	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c(C)c1	408788672	LZGSCDRIAVMUNB-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c2C)cc1Cl	408803510	PVCLTLJNUGUAJE-VKELWPKBSA-N	409.961	5.658	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	408845273	VOLCNNLATRNECM-COOXJWIVSA-N	408.929	5.521	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c3ccccc32)c1	409001462	WBLXUOONHSHQSL-BKUYFWCQSA-N	416.446	7.081	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1F	6846398	VCZVVYFLXAVGCI-UKTHLTGXSA-N	404.297	6.541	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1	58835101	DAVRHKNMKZRGEM-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c2C)cc1	106368521	UYFCQQQBEQRSRO-KQWNVCNZSA-N	408.549	6.686	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408581576	IZICDEUBBDCXRY-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)Sc1nc2ccccc2[nH]1	408598918	LBYPYRXXOORNDM-CPNJWEJPSA-N	417.921	6.452	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)Cn1cnc2ccccc21	408691500	AUUBWMHKHCRZKQ-QGOAFFKASA-N	407.502	5.558	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2Br)c1	409394049	UXJREUUEGJCLOB-JAIQZWGSSA-N	422.297	6.540	50	40	HKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1ccc(Cl)cc1	677921	DTMVWQWTFQSJTH-NRFANRHFSA-N	424.891	5.411	50	40	HKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	1084963	QFKQFVSKIKSYIE-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1)c1ccc(Cl)cc1	1879522	WVYZWIVYIQOZEB-KCYFPNEXSA-N	403.869	5.021	50	40	HKGB	
C/C(=N/NC(=O)c1cccc2ccccc12)c1ccc(NC(=O)C2CCCCC2)cc1	4156417	FLHFDVAVIAAEFU-VEILYXNESA-N	413.521	5.513	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(Br)cc2)c1C	8437673	WSFGYIQKUGHISX-CFRMEGHHSA-N	424.342	5.237	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1cccc(Cl)c1	28216992	MZQPHDWIBCDXPF-BUVRLJJBSA-N	411.958	5.380	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1	59272295	XKQNJMWRZRDMLC-STZFKDTASA-N	400.453	5.513	50	40	HKGB	
BrCc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1	72284134	MFXACAOIEZPUAR-UHFFFAOYSA-N	406.348	7.039	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1Cl	408867310	LKMPNCWGUCZQHB-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1C	409098084	PHDUJDDOIAYWRF-RGEXLXHISA-N	418.949	6.654	50	40	HKGB	
Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	2281952	KNSQLGROHJIVGF-PTNGSMBKSA-N	419.893	5.855	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OC(C)C	2846742	KUKSULWPOZUKAM-OVCLIPMQSA-N	406.707	5.962	50	40	HKGB	
CC(C)(C)C(=O)[C@H](Br)[C@H](Br)c1cccc(C(F)(F)F)c1	3156996	NXVDTMWABHJCCM-GHMZBOCLSA-N	416.075	5.520	50	40	HKGB	
Cc1ccc([C@]2(C)CC/C(=N/NC(=O)c3ccccc3)c3cc(C)c(C)cc32)cc1C	31671583	UTAJDXXHGYEEHE-OAFMDPJFSA-N	410.561	6.154	50	40	HKGB	
Cc1sc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)nc(O)c2c1C	57547915	YRHZCFBSWWPFSX-UNOMPAQXSA-N	413.502	5.657	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc1	104125524	JOJQRCHRTQQLFW-JOCHJYFZSA-N	420.965	6.851	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)c(C)c1	216038620	NDCJDCMKXQAMBF-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260572476	VXNXUEOWPVGGEZ-ZWAQGKOVSA-N	415.581	6.350	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2c1	408776714	PXNSFTZWUXIIHX-AQTBWJFISA-N	411.423	6.720	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cc2cccc(F)c2)c1	408871165	YDCHAIZWIPPOHT-HYARGMPZSA-N	414.480	5.588	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccccc1	1780836	NKESRODBFDAIFU-HYARGMPZSA-N	409.894	5.257	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2[nH]c3ccc(Cl)cc3c2-c2ccccc2)cc1	2205087	USNPXFHZFDZQCT-AFUMVMLFSA-N	403.869	5.261	50	40	HKGB	
COc1ccc(-c2cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3n2)cc1	2366376	XIZGGYMDPGJGRY-UHFFFAOYSA-N	414.417	5.346	50	40	HKGB	
N#C/C(=C/Nc1ncc(C(F)(F)F)cc1Cl)C(=O)c1ccc(Cl)c(Cl)c1	2513630	HLPFDJRTUCEPPU-TWGQIWQCSA-N	420.605	5.763	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccccc1Cl	6235731	YTVCHWOXQMZSSB-RGEXLXHISA-N	400.884	6.855	50	40	HKGB	
CCCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2cc(C)ccc2[nH]1	6693634	FUDHNVATHOBHHN-HKWRFOASSA-N	402.542	5.961	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)c([N+](=O)[O-])c1	6922623	DDFBFJITIURQSE-QGOAFFKASA-N	415.449	5.832	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	9200625	KDHZHUHCDWMEME-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	17286323	WWXNPGYZGLSXDC-NBVRZTHBSA-N	419.506	5.362	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC	33590920	DYKNPAICEPMVSM-OYKKKHCWSA-N	423.340	5.725	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3ccccc3c2)c1C	408744367	KRINCFMMHWDMED-IWIPYMOSSA-N	405.501	6.101	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1	408942584	ZMOATLUUHQVIPH-MOSHPQCFSA-N	402.881	5.773	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(Cl)cc1	409193593	HIXIZZXNFIWIKV-LGJNPRDNSA-N	405.860	5.246	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409244314	AYXYFYREHSGVNG-ZYTDBRAZSA-N	412.917	5.310	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/C(Br)=C/c3ccccc3)n2)cc1	3227841	ZROFXLLKOUJUHX-WTSOWOPBSA-N	407.336	6.462	50	40	HKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N\NC(=O)c3ccc(Cl)cc3)c2)cc1C	4775443	ROHCJIJUQKNKIT-LFOKZAPISA-N	406.873	5.842	50	40	HKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1c2ccccc2cc2ccccc12	9289334	FJZJDGMYVHOLEQ-MFKUBSTISA-N	417.306	5.448	50	40	HKGB	
Cc1nc2cc(/N=C/c3ccc(N(CCCl)CCCl)cc3Cl)ccc2n1C	51074553	HHDIEDYCYTVSBA-ZMOGYAJESA-N	423.775	5.570	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)cc1	83317383	MZODIAOXUNZPIL-OYKKKHCWSA-N	423.310	5.100	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc(C)c1	208671116	SXESZMLGTVXXON-STZFKDTASA-N	409.489	5.913	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1	408783474	PMPPYLIXJBGBIP-HYARGMPZSA-N	413.521	5.735	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br	408800980	QTJXVZKMOROMJZ-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(C)cc2)c1	408856104	IHDHFYLPFXWDBC-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Cc2cc(C)cc(C)c2)c1	408869348	CAESDISNMMEQIQ-BUVRLJJBSA-N	410.517	5.757	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCC	408983661	NETCCYNCHGTBJR-OQLLNIDSSA-N	419.308	5.645	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccccc1Sc1ccc(Cl)cc1)c1ccccc1	409246925	LCJLLLRPTPTMBC-AWZALFRUSA-N	418.949	6.276	50	40	HKGB	
O=C(CCCC[C@H]1CCSS1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21	524729000	IBUFIYXHQCZETR-UKPGDCENSA-N	420.688	5.122	50	40	HKGB	biogenic
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1	2174524	JYEDMWLKBSJUPO-FBGITGBUSA-N	405.501	5.882	50	40	HKGB	
O=C(CCCOc1ccc(Cl)cc1Cl)N/N=C/c1cccc2ccccc12	5704968	BWIWYKFSXKFHAZ-ZVHZXABRSA-N	401.293	5.456	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C)c1	20194576	AKTZXNSJWLMTAV-RWPZCVJISA-N	413.496	5.138	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccccc1	33319460	SJQUOEWBVZPNAA-STZFKDTASA-N	402.457	5.107	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)c1	59426986	JOAWQAWINZDUPS-BRJLIKDPSA-N	414.336	5.782	50	40	HKGB	
CO/C(=C/C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118925232	OVHOXMZYAGSYNN-ZKCFAOPHSA-N	402.575	5.306	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(F)cc1	209279321	KSKRDVPKEMLPPO-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c(C)c1	223556295	OVCAVODZPOXVTI-CWGWECIMSA-N	415.581	6.350	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408811669	RNACNJBUHGUMJR-GHRIWEEISA-N	420.896	5.836	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)NCCCc1ccccc1	409243896	YSSDUDUSMHNKPI-KQWNVCNZSA-N	414.480	5.061	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccccc1Cl	409251253	UHGPYPIELIZXJR-RHTHQAGFSA-N	403.913	5.532	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	4784484	XJEKLCOAKYENSM-KKMLCIJBSA-N	416.521	5.308	50	40	HKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1	20132953	BWBCPSPUGJNRJS-MRVPVSSYSA-N	424.133	5.090	50	40	HKGB	
Cc1ccccc1P(c1ccccc1C)c1ccccc1C1=N[C@H](C(C)(C)C)CO1	103680346	PWDWTBOBIGNWSX-VWLOTQADSA-N	415.517	5.253	50	40	HKGB	
COc1ccc(CC[C@H](O)c2cccc(O[Si](C)(C)C(C)(C)C)c2)cc1OC	221060003	CQTSHKFKOPDWAO-FQEVSTJZSA-N	402.607	5.754	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1	408532659	QQNBXIJYCZLGIA-RAXLEYEMSA-N	419.105	7.080	50	40	HKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	408548345	GQRRAVVJLMWYCV-GRSHGNNSSA-N	408.295	6.074	50	40	HKGB	
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408581516	XNPKZSZDKZDUHB-XMHGGMMESA-N	409.894	5.480	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(C(=O)O)cc3)c2)cc1OC	408583373	UCUGXIMLFPCJQB-CIAFOILYSA-N	415.445	5.045	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(F)c1	408809859	SIDRXQFVDJXHNP-BKBFXEPMSA-N	422.500	5.015	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408829603	LKKKTZQXJCNSPY-AFUMVMLFSA-N	424.953	5.470	50	40	HKGB	
Cc1cccc(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)c1	6162612	FEORMVBQZVOZDB-CPNJWEJPSA-N	423.424	5.406	50	40	HKGB	
CCOc1c(I)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OC	14131064	HILRLZBIJPYTIO-CXUHLZMHSA-N	419.262	5.071	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	23397281	WCIFJQBKLRRTMZ-JXAWBTAJSA-N	412.917	5.853	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)OC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C	104131320	WRMXUZMRKCNROQ-KBPGHLADSA-N	416.646	6.787	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	209384416	MQOJDJNBHZXGEC-LCYFTJDESA-N	417.679	6.452	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2)cc1	408533981	UJPOMLBAFBUUBU-STZFKDTASA-N	404.307	6.401	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1	408779153	APWOUMUFPMOCAQ-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
Nc1ccc(SSc2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)cc1	1608085	YBBUYQHJPIFGSG-UHFFFAOYSA-N	409.967	7.013	50	40	HKGB	
N#Cc1c(/N=C/c2ccc(N(CCCl)CCCl)cc2)sc2c1CCCC2	2092210	BVDZBWHIWSWJMR-ZVHZXABRSA-N	406.382	5.533	50	40	HKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(-c2nc3ccccc3s2)o1	2242368	VKSVPKZIEIWMIU-LJQANCHMSA-N	417.490	5.007	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1C	6044880	JAQOKIREPUMOQY-LQKURTRISA-N	409.533	5.308	50	40	HKGB	
CCCCCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	11666779	JUWNTTOJWCVYSI-GOSISDBHSA-N	416.949	5.525	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)o2)cc1	33599851	CWNITLUDDPKYOX-LGMDPLHJSA-N	420.852	5.322	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	59255351	UCCUTOIIGWOWJO-CPNJWEJPSA-N	422.406	5.830	50	40	HKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	59383071	ZREGFSKVZSADQE-PCLIKHOPSA-N	424.953	5.552	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Br)c1OC(C)C	209494926	KNLYTLDQNIYCHQ-VCHYOVAHSA-N	400.316	6.008	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408581088	UIHLEJVMDQOJQN-UDWIEESQSA-N	404.853	6.200	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c(Cl)cc1OC	408792589	BCOVXZAWFBCSLW-VGOFMYFVSA-N	405.281	5.255	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408871108	YCNJKCUIOPYKCD-WOJGMQOQSA-N	406.844	5.321	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1	408872793	IXVKNWLXHDKVAU-CPNJWEJPSA-N	417.852	5.385	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3O)o2)cc1Cl	408981759	BLULZIZZVVEKLC-JYRVWZFOSA-N	423.812	5.068	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)cc1Cl	408983065	KAKXVFYDTVHBSA-DHDCSXOGSA-N	411.288	6.416	50	40	HKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC	409394232	XKUHJIYHKHPPRN-KHAFMBKQSA-N	404.279	5.838	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)n(C)c2Cl)c1	3074899	REMCHDDLQFBNOK-VULFUBBASA-N	423.944	5.306	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCCOc1ccccc1	4182072	YPLQUTYUTDBTGS-HMMYKYKNSA-N	416.433	5.125	50	40	HKGB	
CCOc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	4815284	FWSAYBCFPXKRAM-SSZFMOIBSA-N	415.474	5.292	50	40	HKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1	9693121	XFPPFBATZSPZAY-KRWDZBQOSA-N	416.333	5.213	50	40	HKGB	
Cc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1	13403717	UZYVSHZYJXAWGL-XNTDXEJSSA-N	415.743	6.599	50	40	HKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2ccccc2C)c1C	28215823	UVSCNCVRBYHYNM-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	96487970	UHKUUDJLESCLRJ-NMWGTECJSA-N	417.512	5.249	50	40	HKGB	
Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	103118183	ZODGTVZIUDOHRA-NSPLTWOJSA-N	420.519	5.048	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2n1Cc1ccccc1	408731106	IZJWAYCLSGFFQP-LDADJPATSA-N	404.300	6.456	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)c1C	408735299	PZLLHPZLSHDWTE-UDWIEESQSA-N	403.913	5.910	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c1C	408796846	QHIVBUOBAKQIIB-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1OCC	408815988	IKHZCCRSBQKQEY-RGEXLXHISA-N	406.457	5.063	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OC(=O)c1ccc(Cl)cc1	408922546	FDWAUNCGVSFIQW-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)c(C)c1	408936909	QDVAEENLMOMXEK-BKUYFWCQSA-N	404.897	5.907	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc2ncccc2c1	408965207	HGVVYMVQTMZWTR-MOSHPQCFSA-N	410.452	5.327	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)c(C)c3)c2C)cc1	409187554	RUUFYUCUKSBZTQ-MYYYXRDXSA-N	404.514	5.265	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c2ccccc21	409368418	USWGDAIMFYAFOU-JFLMPSFJSA-N	415.924	5.344	50	40	HKGB	
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1ccc(OC(=O)C2CCCCC2)cc1	17088604	PDOJIOZRIBWBAX-HMMYKYKNSA-N	410.558	5.410	50	40	HKGB	
C/C(=N\NC(=O)c1cccc(Cl)c1)c1ccc(OCc2ccc(Cl)cc2)cc1	17201722	MSGRGWLPXUKOIX-MFKUBSTISA-N	413.304	5.726	50	40	HKGB	
CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=N/NC(=O)c2ccncc2)C(C)(C)CCC1	17325370	VOUCNJZICKBIMN-YIPMZIDFSA-N	403.570	6.329	50	40	HKGB	
COc1cccc(C[PH](C/C=C/c2ccccc2)(c2ccccc2)c2ccccc2)c1	104186943	HZOVBXUMMBYWGF-FOWTUZBSSA-N	424.524	6.310	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	206237746	PVDNIMACBPUVOT-AQTBWJFISA-N	412.917	5.853	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C	223549665	GNANQHSXYSVIIS-LSPINASFSA-N	421.972	6.386	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2c1	408770911	CHZLZXANZNVWIP-LGMDPLHJSA-N	420.896	5.836	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(Cl)cc1Cl	408783169	LRISYWZLVKDTQA-XFXZXTDPSA-N	412.301	6.678	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	408793203	DLVKXTWIVFFHRQ-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1	408871759	ZKVNLDPGAVJRCE-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c3ccc(OCc4ccccc4)cc23)cc1	408888119	XAOXCEJEZILPFM-DEDYPNTBSA-N	407.473	5.601	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	408889659	IOPHKPCNRMMXBN-SAPNQHFASA-N	417.336	6.498	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408937841	PIKILENHRYDBSP-UNOMPAQXSA-N	422.406	5.830	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	409112698	GBNKDSFUDLIDPX-MJDKSPQASA-N	409.530	5.173	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)cc1	409189272	OJFOHVHQTKTFHT-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(F)cc1	2050610	NYDRLKMJAHIUFE-RUZDIDTESA-N	401.421	5.951	50	40	HKGB	
O=C(c1ccccc1)[C@@H](Br)[C@@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4416976	KPIWQKFMJGVSBC-QHAWAJNXSA-N	424.294	5.435	50	40	HKGB	
C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	4700605	LZQIERUOLLIBCY-ITYLOYPMSA-N	419.912	5.325	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1C	59432662	JWYGHURBRVEXSQ-MHWRWJLKSA-N	411.288	6.416	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473552	TVRVTWZQLNDZLP-MFKUBSTISA-N	424.953	5.795	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc4ccccc34)cc2C(C)=CC1(C)C	208523551	XVKBNVUMWJJOOC-OGLMXYFKSA-N	411.549	5.934	50	40	HKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)cc1	408771545	JBIPQAZTNBHIJM-BKUYFWCQSA-N	404.897	5.988	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c(C)c1	408783098	JYXKHLDMBITNTP-VBKFSLOCSA-N	414.490	5.470	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccccc1C(F)(F)F	409130618	INENMPNXEWDYFV-LIMNOBDPSA-N	421.271	5.396	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C	409189466	GXGGOWRRGOVYRL-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3cccc4ccccc34)cc2[C@@H]1c1ccccc1	2289199	QASHCBIISUCOFV-SJIPFTAOSA-N	417.468	5.514	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	3115631	QZBMDWDEJCMEOH-RDRPBHBLSA-N	417.512	5.536	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	4090198	MZJQOGAYHUYVOA-MTDXEUNCSA-N	409.533	5.503	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	6758721	UJQJLVPMPZOHIV-JCMHNJIXSA-N	412.489	5.475	50	40	HKGB	
CC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19832399	IVBFHZGZKMUSMP-VGOFRKELSA-N	419.322	5.334	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	28217319	WSBKQUOKUNKUDF-AFUMVMLFSA-N	405.567	5.262	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F	33347190	KULLEMBNJXKEMI-UNOMPAQXSA-N	404.397	5.386	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Br)cc2)cc1	38202488	SUHDYFYLXWCFJY-JCMHNJIXSA-N	403.320	5.172	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	59303297	QJEHKYUSKXKKBR-MFOYZWKCSA-N	411.288	6.163	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OC	107925479	YWSMXESCYCORTH-CAPFRKAQSA-N	422.525	5.686	50	40	HKGB	
N#C/C(=C/c1ccccc1I)c1ccc(Cl)cc1Cl	408550090	DNKRJMWVVIYDEN-XFFZJAGNSA-N	400.046	5.662	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1C	408755677	LMQXLFVKFUYRIA-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	408792506	KISHVNFAKCYJQK-NTEUORMPSA-N	403.265	5.112	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408797900	UGTSEYROEMYDIC-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
C=CCc1cc(/C=N/NC(C)=O)cc(OCC)c1OCc1ccc(Cl)c(Cl)c1	409013954	OBRYCRFBRCXINQ-WYMPLXKRSA-N	421.324	5.170	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1Cl)c1ccccc1	409043607	SABGQUONEINPBZ-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)NCc3ccccc3)c3ccccc32)c1	1100174	LUXDVMLQBQSXNZ-HZHRSRAPSA-N	405.501	5.221	50	40	HKGB	
CCc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1	1789641	DDBYFTFMFNDLJJ-SSDVNMTOSA-N	415.971	5.268	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)cc1	1801189	WGCHANABYWYHAN-SFQUDFHCSA-N	424.367	6.420	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1	2278223	JIXOSOOWNHLCOH-ZUOKHONESA-N	411.288	5.202	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	12360358	ZNDXUSWGIPONLJ-WGARJPEWSA-N	423.299	6.099	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1	33347322	SESLDKNIASVRPE-NHDPSOOVSA-N	403.663	5.126	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1C	58927267	NMVCESMPDGDWSC-RASHHNMQSA-N	405.567	5.175	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c1C	59201490	CSKSTUOSYHEJKQ-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(Cl)cc1	59436987	SHAGJKYELHRAQF-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1	209482973	JJFJOESZGVYOCW-KEBDBYFISA-N	407.872	6.439	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1F	408545184	ZQRSEVOBMRIPRC-NDENLUEZSA-N	403.409	5.176	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Cl)cc1Cl	408783726	PTLQCKATHDXZDL-ZROIWOOFSA-N	412.232	6.153	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2)cc1	408891299	OFOSKQGQFQANHI-WPWMEQJKSA-N	408.457	5.131	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409017820	HUSTWJPDHPGFBZ-KSEXSDGBSA-N	419.264	5.077	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	409231180	IEJUXGSYOJNWIF-CJLVFECKSA-N	417.940	5.404	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2)cc(Br)c1OCc1ccccc1	409366299	UATVCOGQXIVZON-NDENLUEZSA-N	420.306	6.101	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1	875615	GXYIZEVTLNSROJ-SDNWHVSQSA-N	410.430	5.233	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc4ccc(C)nc34)n2)cc1	1245787	DCWPQYLALDPVCK-XMHGGMMESA-N	412.518	6.042	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C(\Nc1ccccc1)SCc1ccccc1F	3052543	SVRZWFJMWSKYDR-HIXSDJFHSA-N	417.509	5.853	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl	6314963	VFGHJPMFADQJEB-LFIBNONCSA-N	407.304	6.341	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl	9201726	RDVNQKWIBVXHOJ-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CCOc1ccccc1[C@H]1C(C#N)=C(SCC)NC(C)=C1C(=O)Nc1ccccc1	19913179	PDBWETJYBXBGAH-QFIPXVFZSA-N	419.550	5.173	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2)S1	103838620	TWLQYWPBHJODKX-JUPWQWBESA-N	407.495	5.012	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)c1	408817888	UTOOQNDFZKCIOI-DOZBRYHWSA-N	419.528	5.782	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1	2109461	RZXFJEGVJAPFNI-OQIQZUQJSA-N	408.505	5.574	50	40	HKGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccccc1Cl	3080262	NIBNDHQGVKYLOP-NRFANRHFSA-N	412.876	5.442	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c(Cl)c1	4827557	JJGPRDNALPNJDB-DHRITJCHSA-N	413.304	5.362	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	6645311	GCIZZVVIKIRXFA-RAXLEYEMSA-N	423.812	5.062	50	40	HKGB	
c1ccc(N2CCC(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)=N2)cc1	8385783	XEAMHLQSBMSWBJ-UHFFFAOYSA-N	421.484	5.388	50	40	HKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1C#N	13942836	ZIQHPFFPUPTJKH-KGENOOAVSA-N	413.484	5.810	50	40	HKGB	
CC(C)c1ccc([C@@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1	20238213	ZFXQPUIOKNPWBT-NRFANRHFSA-N	403.551	5.025	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1	59233001	BKGNWVHOJVCYLQ-STZFKDTASA-N	416.908	6.082	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(C)C	59336094	CSOSGTSHFAIXHL-ZROIWOOFSA-N	405.281	5.335	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1cccc(Cl)c1Cl	59336606	JTVYQIBHGBAROC-QBFSEMIESA-N	415.301	6.283	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408587428	FVFKCKURHDXZIO-JFLMPSFJSA-N	415.924	5.973	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	408791868	DNZRGZHGGAIZHX-XNTDXEJSSA-N	417.292	5.503	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408797350	RAFWVMSFSCLPGX-OQLLNIDSSA-N	419.308	5.645	50	40	HKGB	
Cc1cc(C)c(NC(=O)CSSCC(=O)Nc2c(C)cc(C)cc2C)c(C)c1	2570318	DFJFWMYMTWBKRA-UHFFFAOYSA-N	416.612	5.496	50	40	HKGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1ccn(Cc2ccc(Cl)cc2Cl)n1	2734181	OATWMBJQULADRY-DHRITJCHSA-N	423.303	5.155	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(F)cc1	8812298	QZJVDDOWZCJHKS-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
COc1ccc(Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2[N+](=O)[O-])cc1	14361424	NNZSJIDUUNJCNU-QGOAFFKASA-N	400.390	5.186	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c1	59432961	DYPPGGDPBKAFKC-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(Cl)c(Cl)c1	59445199	LTMMXJCAOLLLOU-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
CCCCCCCCC/C(C)=N\NC(=O)C(=O)N/N=C(\C)CCCCCCCCC	100031648	HWFOITIWZFHMNC-KOUJMYIZSA-N	422.658	6.252	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Br)cc1	408580629	QCNQYEQVFNLQBY-XDHOZWIPSA-N	424.725	6.746	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC	408865755	FENUZNMNHBUQLG-LDADJPATSA-N	410.901	5.412	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1	408992177	SFZOXWGIKNFMEM-STZFKDTASA-N	416.908	6.082	50	40	HKGB	
CC1(C)C[C@](Br)([C@H](Br)c2ccccc2)C(=O)c2ccccc21	1580682	MDEGEBFGWNEVQW-APWZRJJASA-N	422.160	5.821	50	40	HKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc(Br)cc3)sc2c1	2736203	CCAPHFOXUQJKKA-AWQFTUOYSA-N	407.720	5.390	50	40	HKGB	
C/C(C/C(C)=C(\C#N)c1nc2ccccc2s1)=C(/C#N)c1nc2ccccc2s1	5725101	ZPHCSLRUQRWCLS-YXLFCKQPSA-N	412.543	6.590	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	38203342	SCOJRVGPAQZDJN-NBVRZTHBSA-N	416.443	6.210	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OC(C)C	408552788	VIQOILNTIDNRBR-JMIUGGIZSA-N	422.322	6.462	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1cccc(C)c1	408581258	VNYYAXZLDODMCJ-HYARGMPZSA-N	412.489	5.394	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408797953	UAOMKNOTGKYTCJ-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408800627	OBPJEZHUPKFJIQ-CIAFOILYSA-N	417.940	6.218	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409060389	ZMAZODINIZZKFW-SDDMWXCRSA-N	412.533	5.695	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OS(=O)(=O)c1ccc(C)cc1	409072138	IQRSFGLLMCQVOY-RCCKNPSSSA-N	419.502	5.226	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	409366284	ZSRNVUIESDDWDG-CEUNXORHSA-N	422.528	5.674	50	40	HKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2C1	4923384	UBLIGZXKOZDGGZ-OAQYLSRUSA-N	417.578	5.592	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	13810246	AMXOKGNTGLPVCY-UYRXBGFRSA-N	419.912	5.610	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4Cl)cc3)[nH]c2cc1C	33595965	HFWMSMBWRRNSCA-DEDYPNTBSA-N	413.908	6.476	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(Br)c2)c(C)n1-c1ccccc1F	97990761	OVWCANAJLYTPQG-BOPFTXTBSA-N	423.285	5.786	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	408784658	VTGDVJVRDBPWCB-WQRHYEAKSA-N	411.383	6.085	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)c1	408810039	IUYPMUBIBDVPKT-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2ccc(Br)cc2)c2ccccc12	408998119	IBPDCXSQOVTILH-QFEZKATASA-N	417.306	5.828	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3nc(Cl)ncc3F)c2)cc1C	409063206	IPNQEQZUIOXHBE-CXUHLZMHSA-N	422.847	5.224	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(OCC)ccc2o1	409187607	SJIKNGOIPFTZKP-QQXSKIMKSA-N	414.461	5.313	50	40	HKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1F	585655915	QVVSLDLXYZJHMI-JLHYYAGUSA-N	415.251	6.247	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CCC2	948285	QBWUHQJFQUXOLU-SFQUDFHCSA-N	408.523	5.083	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1	1779843	JWRRMBYNPDQQBG-SFQUDFHCSA-N	421.283	5.770	50	40	HKGB	
CC[C@@H](C)n1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	4740000	OERXCZFHAHQYTA-SQVRNEIYSA-N	410.521	5.359	50	40	HKGB	
N#CC(C#N)=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	4853886	JELCDZSGDGEZCG-UHFFFAOYSA-N	405.888	6.895	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1C	8606325	YCDWMHBQBXKUHW-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c(F)c1	9323115	JYZAVVMPCCXYMN-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)ccc3Cl)n2)cc1C	13774267	RAVIHYMILIHSEQ-GDNBJRDFSA-N	400.334	6.710	50	40	HKGB	
O=c1[nH]c(SC[C@H](Cl)CSc2ccccc2)nc2sc3c(c12)CCCC3	16779240	NNTPMEVQMUMPMB-GFCCVEGCSA-N	423.028	5.355	50	40	HKGB	
CN1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1	20528767	DHIUFUCBEFTKTJ-DCINASHKSA-N	424.331	5.084	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)cc1	40144512	HVPQNMBTRGHWEF-LTGZKZEYSA-N	420.468	5.715	50	40	HKGB	
Cc1cc2c(cc1/C=N\NC(=O)c1cc3ccccc3o1)[C@@H](C)CC(C)(C)N2C(C)C	223611861	MMNUECWLNXFXNI-BCYKDHKFSA-N	417.553	6.006	50	40	HKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2)cc1	408578912	BTJDAJDRCWHZMN-XMHGGMMESA-N	409.894	5.480	50	40	HKGB	
C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc21	408745878	WBXFAOBARPPOQK-SSZFMOIBSA-N	420.310	5.444	50	40	HKGB	
CC(/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1)=C\c1ccccc1	408811638	MSJXGUTUNXETDT-AULOMPDQSA-N	419.528	6.272	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2cccc(Br)c2)o1	408959992	HVPLGFKCHWRBNX-WJDWOHSUSA-N	408.251	5.780	50	40	HKGB	
CCOc1ccccc1/C=N\NC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl	408971550	IQXNFTMNROGGEL-YVNNLAQVSA-N	423.321	5.379	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1Cl	1082947	AGYDWNSQNPBYQR-OQLLNIDSSA-N	421.840	5.671	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1F	5570628	LLAFBZWPNZLBJZ-YBEGLDIGSA-N	413.279	6.330	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	5587459	UTWBFZAOLWIZHN-GZTJUZNOSA-N	416.352	5.757	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)cc1C	28216703	PMHLDUCXTOXHNT-YNYZQSIGSA-N	419.594	5.483	50	40	HKGB	
O=C(Cl)c1ccc(OCc2cccc3ccccc23)c(I)c1	226327664	HQPGIPIPUARGAH-UHFFFAOYSA-N	422.649	5.402	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1	408745278	QTMFLMGTAASFTB-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1	408765359	VMOCJJHKEZUXEL-HAVVHWLPSA-N	404.469	5.964	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c2ccccc12	408791292	VROSQTQGKJQIRI-RGEXLXHISA-N	400.478	5.571	50	40	HKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3089306	QEVXGCIXVHABSM-DUYBAWCLSA-N	404.535	5.038	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(O)c3ccccc3n2)ccc1OCCc1ccccc1	3947300	WTPSGEOLYWUZAX-HKWRFOASSA-N	423.472	5.030	50	40	HKGB	
N#C/C(=C/c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1	4713061	IYWOQQBSPLVJHT-LRVMPXQBSA-N	412.456	5.568	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1Cl	5675536	IEVFYWJXQYOLQN-DEDYPNTBSA-N	403.865	5.717	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(Br)c1	9008919	IBCAFYSFOUFTIH-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(C#N)cc1	9187366	WXKDCCUOVGZKJP-UDWIEESQSA-N	406.445	5.086	50	40	HKGB	
CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=C\c1ccco1	13468872	VMRASZWZHQAJSO-PKTFLTQSSA-N	415.880	5.967	50	40	HKGB	
CCOP(=O)(CCCCCCCCCCC[Si](OC)(OC)OC)OCC	198004552	ZLVDHIGHATUXQO-UHFFFAOYSA-N	412.580	5.642	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Br)c1OC(C)C	408579546	HPDUFCQKAXUYBZ-CXUHLZMHSA-N	420.734	6.353	50	40	HKGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1C(C)C	408765345	VKTHATZXGNDENF-SXGWCWSVSA-N	413.315	5.435	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccccc3C)c2c1	408787873	AKMUIIMEMSHBIP-RGEXLXHISA-N	400.478	5.491	50	40	HKGB	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1F	585655891	FTVJYMXNDSTEHV-UKTHLTGXSA-N	415.251	6.247	50	40	HKGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	1454153	UVHVJGINEAWQLC-XYOKQWHBSA-N	404.278	5.179	50	40	HKGB	
Cc1ccc(N[C@@H](c2ccccc2O)P(=O)(c2ccccc2)c2ccccc2)cc1	3109448	WAENCJJGEPQXQI-AREMUKBSSA-N	413.457	5.825	50	40	HKGB	
CCCCCC[C@H](C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	4773810	QJTXJFDIMHKESC-IBGZPJMESA-N	416.433	6.195	50	40	HKGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	4922473	IOHGUMYFRIPUJZ-QGZVFWFLSA-N	409.942	5.176	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1OC	6168196	ANOISKWYYYVEDP-SLVCOGOPSA-N	414.889	5.080	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cccc2ccccc12	6410881	XDZBECIBEJLEDT-HAVVHWLPSA-N	404.469	5.964	50	40	HKGB	
N#CC(=C\c1coc2ccc(Cl)cc2c1=O)/C(O)=N/c1nc2ccccc2s1	41120748	JBQQMRJAOVDYOI-YRNVUSSQSA-N	407.838	5.251	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1	59117015	NMTDFKZQCXEYOR-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2Br)o1)c1ccc2ccccc2c1	408550269	FJEFCHWTRKSGNZ-PDGQHHTCSA-N	418.265	7.066	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(F)cc1	408745528	NJONJVGGFUUWFX-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(C(C)C)cc2)cc1	408818331	NTGYPSYQLSRBRT-CEUNXORHSA-N	421.544	6.340	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1	408984522	IUXGDNSRUIPVNQ-STZFKDTASA-N	417.940	6.164	50	40	HKGB	
CCP(=S)(CC)Nc1ccc(C(C)(C)C)cc1NP(=S)(CC)CC	2570536	CIXUVSYMSLIIGV-UHFFFAOYSA-N	404.566	6.677	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1F	5577803	LLAFBZWPNZLBJZ-MHWRWJLKSA-N	413.279	6.330	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473803	MMAGETBCYSWBFH-ZVHZXABRSA-N	410.926	5.405	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1cccc2ccccc12	408599620	XRHVKGUIKIEMDB-RCCKNPSSSA-N	420.541	6.780	50	40	HKGB	
O=C(N/N=C/c1cc2cc(Cl)ccc2nc1Cl)c1cc2ccccc2cc1O	408727079	DHGPKMBUMCAPTM-BHGWPJFGSA-N	410.260	5.164	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	408933613	BBVGFBDYSAVLLJ-NDENLUEZSA-N	402.881	5.773	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1C	408960235	KAQZTGTVJHVQOJ-VEILYXNESA-N	424.548	5.520	50	40	HKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c1ccc(Sc2ccccc2)o1	409002012	RWXGTTQRWVOKSX-CFRMEGHHSA-N	404.413	5.142	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)c(C)c1	1240626	FCFABDCWZWWDIU-SFQUDFHCSA-N	413.502	5.818	50	40	HKGB	
Cc1cc(C)cc(OCCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)c1	4603308	WIPUZASZRKCKSY-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
N#CCC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	4739589	CLJXEDPVTVANEP-TURZUDJPSA-N	404.473	5.175	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)c1	28215933	KRMGYZZSHTYZKC-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
CC(/C=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1)=C/c1ccc(C(C)C)cc1	28632601	JAKATPLCBOMBCG-TXCIEUMTSA-N	411.933	5.388	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(Br)cc1	32127741	QOJHXDSOAQDNDK-XMHGGMMESA-N	403.279	5.662	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N\c2ccc(/C=C\c3ccncc3)cc2)cc1	104380113	XJGVHMQZSFVITC-NZWKEQIESA-N	424.375	6.287	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(-c2ccccc2)cc1	107654209	RUJXDSDKLWHVEE-PCLIKHOPSA-N	419.484	6.734	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1[N+](=O)[O-]	408598871	KQCYJSXOTJFJRD-ZVHZXABRSA-N	405.454	5.225	50	40	HKGB	
O=C(N/N=C/c1ccccc1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408728092	ZRECLOOXNQIEMS-TURZUDJPSA-N	416.484	5.456	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2c1	408782618	XLKUKWSGNBFXDU-ATVHPVEESA-N	420.896	5.836	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	408786710	UWZXOWGOQYUDSK-PDGQHHTCSA-N	405.885	5.302	50	40	HKGB	
O=C(CCCCCBr)c1ccc(N(c2ccccc2)c2ccccc2)cc1	575358818	FPRDAXCTXYHFJR-UHFFFAOYSA-N	422.366	7.294	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OC	650455	UGIGCFNKOIYVMS-DHRITJCHSA-N	422.868	5.411	50	40	HKGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3)o2)cc1	2669535	BZKRQOLRGNODRM-CAPFRKAQSA-N	414.461	5.449	50	40	HKGB	
CSc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1	4923231	RPCLICPJZQLIHB-HXUWFJFHSA-N	421.591	5.245	50	40	HKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=C3CCC(C(C)(C)C)CC3)cc12	4954131	LDHVEOVPVXYKEP-UHFFFAOYSA-N	408.571	5.718	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccccc1Cl)c1cc2ccccc2o1	5445435	PMTSBGWDPVKRQJ-WGOQTCKBSA-N	418.880	5.819	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1	6548903	ULXPNTRRAUWUSL-UNOMPAQXSA-N	413.864	6.315	50	40	HKGB	
O=C(CCc1ccccc1)N/N=C/c1ccccc1OCc1cccc2ccccc12	58871391	POZXBOWJRXCEAG-TURZUDJPSA-N	408.501	5.502	50	40	HKGB	
O=C(N/C(=C\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	97946912	LILCGMGSHPBBSD-YYADALCUSA-N	423.452	5.429	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(C(=O)O)c1)c1ccc(Cl)cc1Cl	408581205	VAEASYZZKUHEKQ-LICLKQGHSA-N	424.283	6.335	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Sc1nc2ccccc2[nH]1	408598903	KUNFJMPESKSYHQ-GXDHUFHOSA-N	422.853	6.041	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3)oc12	408969084	GZDRLYSMRSABGQ-CVKSISIWSA-N	414.461	5.093	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409214788	YUBKALNHDBXFGD-DHDCSXOGSA-N	417.259	5.219	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC	6168452	FRWBCNLTCUBHKH-CAUYNWHBSA-N	410.901	5.443	50	40	HKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc(-c3cccs3)cs2)o1	9281227	YDUKYXAVPQNZPE-SDNWHVSQSA-N	418.499	5.982	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1	207827794	QWKKQKUXSFUMMD-VQCBNXJZSA-N	421.840	5.293	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408802844	ICVKPEJZCBOKEL-QGOAFFKASA-N	402.881	5.912	50	40	HKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C	408857629	OYJCMQADEXKGPN-CXUHLZMHSA-N	417.336	6.370	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Br	408881719	KDTGDUUIRPKWCD-SFQUDFHCSA-N	411.299	5.122	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(C(F)(F)F)c1	409045474	YSGVNLNICBOXDD-ONNFQVAWSA-N	401.171	5.263	50	40	HKGB	
CC(C)CCO[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615231	ZEBJMSLILQIKBZ-BMIGLBTASA-N	408.130	5.065	50	40	HKGB	
O=C(CCl)Nc1ccc(-c2ccc(NC(=O)CCl)c(Cl)c2)cc1Cl	3178269	HEMCTIUOJVONIJ-UHFFFAOYSA-N	406.096	5.015	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1cccc2ccccc12	7099010	GLEBJXWUQJIQRH-CJLVFECKSA-N	402.472	7.046	50	40	HKGB	
COc1ccc(OC)c(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)c1	12558791	IKMFRZJBOASBMX-LDADJPATSA-N	404.441	5.040	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3c(C)cc(C)cc3C)n2)cc1OC	44827221	LIFZENAPXGTVRE-LDADJPATSA-N	405.523	5.729	50	40	HKGB	
CCCN1CCC(=NNC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)CC1	55082662	MXDSOXAUBGPQRH-UHFFFAOYSA-N	414.553	5.110	50	40	HKGB	
Cc1ccccc1CSCC(=O)N/N=C/c1cc(C)n(-c2c(C)cccc2C)c1C	58926593	XXEADWGUXOCPII-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
CCCCCCCCCCCCC[C@H](I)CC(F)(F)F	103528456	PSCKDWSOSVMZNL-HNNXBMFYSA-N	406.314	7.444	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1	408599578	WRRMGPUBVARAIN-GXDHUFHOSA-N	422.853	6.041	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1	408811096	KDHZNVRQELDUCK-OMNSNBSWSA-N	423.491	5.613	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1	408818394	XUMINFMTWBNYRF-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	408818578	WAVAZMHXXSVSLE-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	409111582	DJKPUFUVMZNSRA-DUYBAWCLSA-N	404.535	5.205	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(SC(F)F)cc1	2632709	WCJMURHJHZSEIQ-XMHGGMMESA-N	406.457	6.214	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(OCCC(C)C)cc2)cc1	3239026	ZXRHTWQPZQZCCW-YZSQISJMSA-N	403.526	5.283	50	40	HKGB	
N#C/C(=C\c1ccccc1I)c1nc(-c2ccccc2)cs1	8386819	CXULGHHGSISLQC-XNTDXEJSSA-N	414.271	5.479	50	40	HKGB	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1OCc1ccc(F)cc1	14907592	MIWPMAGSJPJDAQ-UHFFFAOYSA-N	404.363	5.180	50	40	HKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1cc(-c2ccccc2)sc1Cl	30835568	GDRPRIPTWLBFMX-LJGKHRNASA-N	414.983	5.841	50	40	HKGB	
COc1ccc(C(=O)N/N=C\c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	32138828	RNMVGUCOAWDJPO-WGARJPEWSA-N	417.896	5.116	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1	33692755	OAQFARSHGDIMTJ-FAIWILQLSA-N	415.276	5.115	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc2ccc(F)cc2[nH]1	408565852	BMLQKGGTILXCQS-UKTHLTGXSA-N	408.230	5.789	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)c1	408747044	YHVIMRIZXZXQED-KQWNVCNZSA-N	405.501	6.101	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1	408900912	ZAFHCFJDEKFYPS-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl	409384660	DZASCVFFCJETCD-MOSHPQCFSA-N	405.885	5.015	50	40	HKGB	
O=C(CSc1nc2ccccc2o1)N/N=C/c1c2ccccc2cc2ccccc12	1799943	YRSJIMSXTYOQTN-AFUMVMLFSA-N	411.486	5.377	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	59117440	PIRGBEZFOSGNSM-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	59117479	DKCNZECBVUGGJS-MDWZMJQESA-N	409.700	5.981	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)c(C)c1	59201702	QEMDLVOVFKUXLO-MTJSOVHGSA-N	416.908	6.082	50	40	HKGB	
C=CC[C@@H](O[Si](C)(C)C(C)(C)C)c1cc(O[Si](C)(C)C(C)(C)C)ccc1OC	195501391	OVVPJUIZXCNNEM-OAQYLSRUSA-N	422.758	7.718	50	40	HKGB	
CN(CC#N)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C	253499561	JOKRPORJXQCDAP-QKQBABCDSA-N	421.025	5.004	50	40	HKGB	biogenic
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C	408548018	BWTVISCDAUFTMA-UCQKPKSFSA-N	412.920	6.974	50	40	HKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C	408691740	OMDDWGNYDLMEEK-ZHZULCJRSA-N	424.504	5.228	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1C	408739796	FSTYNPRQKDXXTR-BRJLIKDPSA-N	414.336	5.782	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(F)c1	408745983	PTHDCFDETINTRI-NDENLUEZSA-N	416.452	5.267	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(C(F)(F)F)c1	408853658	WBNZVAQUMWNVRH-LCYFTJDESA-N	411.221	5.725	50	40	HKGB	
CC[Si](CC)(CC)OC(C)(C)[C](C)CP(=O)(c1ccccc1)c1ccccc1	1560406218	MPIQIXHHYSKZML-UHFFFAOYSA-N	415.610	6.395	50	40	HKGB	
CC(C)(C)c1cc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)[nH]n1	9010551	PPFCUNDQKQIJCX-BYGYOCHOSA-N	424.892	5.246	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1	9553897	KCDWTRSLCQXJDP-XQNSMLJCSA-N	406.441	6.391	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccccc1F	35419315	PUPZCIRWCJQBHE-FMIVXFBMSA-N	413.202	5.821	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccc2ccccc2c1	408549831	ZWPGLZUZJHOQIM-MYYYXRDXSA-N	405.453	6.181	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(Cl)cc1	408852698	VRPRFOGBGQTSGM-FYJGNVAPSA-N	408.328	7.253	50	40	HKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	408925150	QEBUJFLZDOTWOL-GHRIWEEISA-N	420.827	5.244	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1cccc(Cl)c1	408941481	WRIJPIBQLLVJRV-WQRHYEAKSA-N	406.844	5.604	50	40	HKGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409045608	ZUZXPJXODRDETQ-MDWZMJQESA-N	405.668	5.204	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc4ccccc34)cc2)cc1	6476768	KAXHGXJCANWDMJ-QJOMJCCJSA-N	418.496	6.230	50	40	HKGB	
O=C(N/N=C/c1ccc(Br)cc1)C1C(c2ccccc2)=C1c1ccccc1	12628814	YCGFIUGNUPEEEZ-MFKUBSTISA-N	417.306	5.140	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br	33731931	DNJNGXHIRIHNFB-YBEGLDIGSA-N	400.276	5.268	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)c1	59137148	PSWYJYDGAOMIEY-UYRXBGFRSA-N	403.457	5.178	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1	59433655	SFJYZTBVMIAYLP-SFQUDFHCSA-N	401.422	5.271	50	40	HKGB	
O=C(N/N=C\c1cc(Cl)ccc1O)c1cc(-c2ccccc2)nc2ccccc12	83328895	IUABGYQDZGHDEG-QFEZKATASA-N	401.853	5.025	50	40	HKGB	
Cc1cc(N(C[C@@H](C)Cl)C[C@@H](C)Cl)ccc1/N=N/c1ccccc1C(=O)O	104184757	JQPLQOXRRNSXTM-MIANUAPLSA-N	408.329	6.170	50	40	HKGB	
COc1cccc(C[PH](C/C=C\c2ccccc2)(c2ccccc2)c2ccccc2)c1	104186941	HZOVBXUMMBYWGF-VBKFSLOCSA-N	424.524	6.310	50	40	HKGB	
O=P(Cl)(C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2	195528727	VMODRLNZYUOOIR-AEKFSHPRSA-N	421.776	7.164	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc2C(C)=CC1(C)C	208523465	QSCDUJIMGBCZJQ-OGLMXYFKSA-N	411.549	5.934	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408543757	SVEOPKMZMSNQGE-VCHYOVAHSA-N	411.288	6.163	50	40	HKGB	
N#C/C(=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12)c1ccccc1	408775580	IHRBPLZWFGUJAL-CAPFRKAQSA-N	414.961	7.151	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408813465	QLFVRTDGCPRTOR-OQKWZONESA-N	412.489	5.600	50	40	HKGB	
Cc1cc(Br)c(NC(=O)/C(C#N)=C/c2ccccc2)c(Br)c1	408882811	RBSMFTLPEKXZTJ-UKTHLTGXSA-N	420.104	5.066	50	40	HKGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409108336	WFHHCOXFUKIHMZ-BUVRLJJBSA-N	409.942	5.321	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409313657	PALSZBKXZPVIKT-CQSZACIVSA-N	423.752	5.919	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1	907793	WFKOXCWCJNUCJV-SFHVURJKSA-N	401.249	5.068	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	3258968	LZFRLNSEEXEIJJ-JJIBRWJFSA-N	409.533	5.876	50	40	HKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	9445036	XDGREWWAZVORIO-FMIVXFBMSA-N	420.752	7.055	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1	11853089	PTCULPMKQHQHCA-FMIVXFBMSA-N	418.266	5.827	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(C)cc3)cc2[N+](=O)[O-])cc1	32124883	FQQNGMDTTBLXEJ-UCQKPKSFSA-N	405.479	5.127	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c1	39884406	HPVROXAVXGECHK-RVDMUPIBSA-N	423.266	5.263	50	40	HKGB	
ClCCCN(CCCCl)c1ccc(/C=N\c2cccc(Cl)c2)c(Cl)c1	104138061	LFPNKFMKDGCYGO-OYKKKHCWSA-N	418.195	6.808	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1	209405803	RSSLSWDTCWUHPF-VXLYETTFSA-N	412.291	7.084	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C	223479004	HDCGWMRKRLZGNE-CVKSISIWSA-N	405.542	5.178	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408567609	FVPLESFZFWGFKP-QENILXLESA-N	414.278	5.706	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1	408598656	HPDJTASBFKJXQY-ODLFYWEKSA-N	410.300	6.645	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	408790151	UHBIYNRVENBDGZ-MDWZMJQESA-N	407.684	5.757	50	40	HKGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408877881	XRFPCKHWUIVIPS-ZXCVBSDHSA-N	419.333	5.884	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc2ccccc2c1	409188532	ZYHSEGPHXNVMOV-ZVHZXABRSA-N	406.894	6.001	50	40	HKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1ccccc1	1056785	LETBOGIXQAEDCS-OAQYLSRUSA-N	403.913	5.281	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc([N+](=O)[O-])cc1	1436879	NOEHJYIEGBAGNB-PDGQHHTCSA-N	422.282	5.829	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	1560772	RAEAXHGIBOOHBA-ABCOMYQRSA-N	413.091	5.357	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc2ccccc12	4739411	MZHWFADJRCCUFF-ZVHZXABRSA-N	406.894	6.001	50	40	HKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	6454140	BWYGGVWFGVROSM-NRFANRHFSA-N	416.571	5.834	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	28217326	ALPNVLOGKSQKRD-ZMOGYAJESA-N	411.958	5.298	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OCc1ccccc1	210410859	GZHAMRUVKOEGNK-IQJJTXKVSA-N	412.489	5.059	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)[nH]c2cc1C	408771815	JGOOCAWRFREUKY-UNOMPAQXSA-N	400.913	6.305	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	408820325	WUSXTFMOULYBDD-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1	408924332	MUECKIJPQGMPCG-NBVRZTHBSA-N	402.837	5.105	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1	408930823	CNVFSJFRUBRYLC-LQKURTRISA-N	421.422	5.342	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	409133136	MQNFYFMVQPYLFD-KOEQRZSOSA-N	404.535	5.207	50	40	HKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	409364632	OGBMLEYRUAUXDZ-YSURURNPSA-N	422.699	5.469	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1	2109464	RZXFJEGVJAPFNI-ADXYVXIDSA-N	408.505	5.574	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	5662008	CJWRSNPWLUMONG-NTEUORMPSA-N	413.260	5.808	50	40	HKGB	
N#CC1=C(SCc2cccc3ccccc23)NC(=O)C[C@@H]1c1ccc(Cl)cc1	9013500	MJTAOIJZVUBZHA-HXUWFJFHSA-N	404.922	5.765	50	40	HKGB	
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(Cl)c(O)c(Cl)c3)ccc21	20428233	DZGMADZNSDWQGP-BHGWPJFGSA-N	412.276	5.108	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(O)c1	408794100	HMPHUJXELYUDFY-NTEUORMPSA-N	404.297	5.091	50	40	HKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c(-c3ccccc3)[nH]c12	408847961	WCXGBIFIOURDMB-HMMYKYKNSA-N	421.500	6.006	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	408895511	NCRXMYKSKABHAF-LFIBNONCSA-N	406.825	5.152	50	40	HKGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1ccc(C(F)(F)F)cc1	408961755	DSYKOAGFXDHJMI-GHXNOFRVSA-N	415.152	5.080	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OCC	409324908	WHWIXDXCZCDZFB-PDGQHHTCSA-N	422.322	6.464	50	40	HKGB	
Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12	2758895	AUCTVUDOXIIAGK-CVKSISIWSA-N	413.546	6.159	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)ccc1O	4807007	QCXCTDCTYKXEOV-SDQBBNPISA-N	403.290	5.895	50	40	HKGB	
O=c1c2ccccc2sc2c1c(N(CCCl)CCCl)cc1ccccc12	5389833	NTRLABNMUYFHRM-UHFFFAOYSA-N	402.346	5.852	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)c1	6410746	DQYCXBYJZJYNLU-NTCAYCPXSA-N	407.267	5.563	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28217504	SKWFZAWYGIDTQN-FSJBWODESA-N	401.297	5.557	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(C)cc2)ccc1OCc1ccccc1Cl	169885737	CTDIQZUPOILYQV-YSMPRRRNSA-N	422.912	5.390	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408580392	PDYMDBZJYKSUBN-MDWZMJQESA-N	411.126	6.609	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cccc2ccccc12	408758679	PALIQYIDRXSSKT-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	408811006	VGEIGIKMXLYEID-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl	408837434	FIGDADFUYZTTNM-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1C)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408861118	NKOBNSZMTLLHQM-WGOQTCKBSA-N	405.885	5.055	50	40	HKGB	
O=C(COc1ccccc1Cl)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409186816	IFQFOAUJGVFPSX-JJFYIABZSA-N	421.305	5.267	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)c1	1439425	KYCIQNITQRLHOC-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1ccccc1OCCCOc1ccccc1/C=N/NC(=O)c1cccc(Cl)c1	4676637	GAQNBYCTLHDMGW-YZSQISJMSA-N	422.912	5.260	50	40	HKGB	
COc1ccccc1N(C(=O)CCl)[C@H](C#N)c1ccc(OCc2ccccc2)cc1	5111310	YVQZXEYKJXUEOT-JOCHJYFZSA-N	420.896	5.111	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(F)cc1	16525433	VTAKKNMCJCHRFT-AQTBWJFISA-N	413.427	5.513	50	40	HKGB	
CC(=O)Nc1cccc(/C(C)=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1	59473318	WVHJXHYPKVPVRS-YZSQISJMSA-N	417.534	5.091	50	40	HKGB	
O=C(O)c1c(CS(F)(F)(F)(F)F)cc(=O)oc1CS(F)(F)(F)(F)F	104221536	DYGDGRHGTAMQNK-UHFFFAOYSA-N	420.246	5.935	50	40	HKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)o1	107781729	AWRBYZCNPGNCPM-NTCAYCPXSA-N	418.499	6.000	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)cc1OCC	408720275	XJFPTTOEHDXROZ-HZHRSRAPSA-N	420.962	5.160	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)NCCc2ccccc2)c2ccccc2n1Cc1ccccc1	408798494	IVPBRTULTUZOLD-HKOYGPOVSA-N	419.528	5.264	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1	408967505	SVNZFXFUTUJISC-HMAPJEAMSA-N	406.489	5.496	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	409066335	ABSCOPOOHSMEJQ-PXLXIMEGSA-N	416.521	5.541	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc2ccccc2c1	409188172	XCFRJFGHHUVADZ-ZVHZXABRSA-N	412.474	5.224	50	40	HKGB	
CCn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)Oc4n[nH]c(C(C)(C)C)c43)ccc21	4450402	RUTVOEXLQLJBQT-FQEVSTJZSA-N	411.509	5.053	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1nc2ccccc2[nH]1	12112456	WKXQSLOADGVFRU-FMIVXFBMSA-N	413.786	6.559	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)cc1	17286338	RCEGFXIFQHYMPA-NBVRZTHBSA-N	419.506	5.362	50	40	HKGB	
N#C/C(=C\Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)CCl	100333871	PIAOTOMJUFWRTC-CSKARUKUSA-N	416.186	5.173	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208207175	VVWMHFFFMGRWJF-AZRQGOPLSA-N	409.917	5.572	50	40	HKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@@H](Br)[C@@H]1Br)S2	254405074	WLRYZLICTXBSLV-MGCNEYSASA-N	422.279	5.405	50	40	HKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)c1ccc(Br)cc1	408534453	VQBBOBSEZZXVLX-LFYBBSHMSA-N	407.061	5.004	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1Cl	408734468	GRVMHDVHUIKQMM-YBFXNURJSA-N	420.871	5.912	50	40	HKGB	
COc1cccc2c(/C=C(\C#N)C(=O)NCc3ccccc3)c(-c3ccccc3)[nH]c12	408834420	ZOVWFVSFMSIWNV-HMMYKYKNSA-N	407.473	5.067	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1	408882316	MLBFJJSJSUYFAM-HYARGMPZSA-N	400.909	6.093	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(C)n1C	408954526	XOXTZWBPAHRWHR-PKAZHMFMSA-N	410.521	5.172	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(C)C	1453887	YEJLOXJPWHMONU-RIYZIHGNSA-N	405.281	5.335	50	40	HKGB	
O=C(CSCc1ccccc1)N/N=C/c1cc(-c2ccccc2)sc1Cl	3067976	MBHFHFMQFQNTMG-WSDLNYQXSA-N	400.956	5.452	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cccc3ccccc23)cc(C(C)(C)C)c1O	4502211	FYYLZBXQVBRSBT-JVWAILMASA-N	402.538	5.904	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(N/N=C/c2ccc(Cl)cc2)cc1	4863554	YYMDCHGEENZZDF-GUJRAXHGSA-N	411.292	5.203	50	40	HKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	9489289	PWMNDQREJAPZHX-KBKYJPHKSA-N	421.806	5.181	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	13285959	UNFWOLMFXUDTJF-YBEGLDIGSA-N	412.320	5.428	50	40	HKGB	
O=C(Cc1ccccc1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12	409208674	DMYRWSIAPZNKND-MIXAMLLLSA-N	417.512	5.536	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC	1302598	CZKIWYSWTBLSEM-FOWTUZBSSA-N	421.522	5.429	50	40	HKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccccc2Cl)c1	2186700	VIDLVDGYLQLSFW-YABPMDJWSA-N	402.925	5.413	50	40	HKGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SCCS1	6348155	QPERWDYFEVFKLD-KEBDBYFISA-N	415.367	5.290	50	40	HKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	9015565	SCOZFWHKZSONKS-JLHYYAGUSA-N	414.393	5.296	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccc(F)cc1	9310820	PDDDQFXDMYJLMJ-XFXZXTDPSA-N	411.776	5.193	50	40	HKGB	
O=C1/C(=C2\S/C(=N\c3ccc(Cl)cc3)N=C2O)c2ccccc2N1CCCl	15016122	VGALPGVIIANIST-NXVVXOECSA-N	418.305	5.028	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	28215865	HCPLCOWSTIYIFZ-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
C/C(=N/NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)s1	35211636	KSWPZWWAFJDGOJ-QRVIBDJDSA-N	419.333	5.788	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1C	59202059	YBEPFQJCUTUVOJ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	59297470	CRKTZTOVVDEGFW-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
C[C@@H](OC(=O)/C(C#N)=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	96838179	RJBHDGQLMRSWEZ-JYVXZMADSA-N	423.683	5.124	50	40	HKGB	
N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	100601039	SFRUUJRCWAJKFM-RAXLEYEMSA-N	416.384	5.714	50	40	HKGB	
FC(F)(F)C(=C(S[C@@H]1CCC[C@@H]1Cl)C(F)(F)C(F)(F)F)C(F)(F)F	107509324	LQCMDVGAQUXIOF-CRCLSJGQSA-N	416.683	6.456	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408744212	JQOWZTQNFCQYFY-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	1191730	PLLSYPRCALCNKU-JWGURIENSA-N	421.500	5.802	50	40	HKGB	
N#C/C(=C\c1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1)c1nc2ccccc2[nH]1	5071079	MWTDYGBXTMWJLL-IWGRKNQJSA-N	412.456	5.568	50	40	HKGB	
O=C(NNc1cc(C(F)(F)F)nc(C(F)(F)F)c1)c1c(Cl)cccc1Cl	8733487	MEBLVBWSNJFBTH-UHFFFAOYSA-N	418.124	5.183	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	16575671	XOVWORCUHKVHLA-LQKURTRISA-N	422.484	6.290	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc2ccccc2c1	58835155	OMPRZQKIMRWSNS-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccccc1OCc1ccccc1	59473022	IGJFQDSDKSWTMK-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
COc1ccc(CSCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	59473527	SCFPYOOTSJWJAK-CVKSISIWSA-N	414.530	5.385	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1cccc(Cl)c1	408789707	RLEPIIWLXSTWEW-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2nc3ccccc3o2)c1	409057024	OMOMUMONOMZKHO-XMHGGMMESA-N	409.445	5.218	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc(F)c1	409391117	HINYSNDKQFMTJS-LSCVHKIXSA-N	411.835	6.270	50	40	HKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	1745697	HNEXQEQUMFHZRG-LFIBNONCSA-N	424.323	5.752	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c(OC)c(OC)c3)n2)cc1	2235667	UXLBSZTUSDHGID-GHRIWEEISA-N	421.522	5.375	50	40	HKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12	4870661	JMYWIVNKCJWOBR-ZEYPLWLESA-N	410.908	5.327	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1	5234334	PTIBOIVCCKADHP-RVDMUPIBSA-N	404.267	5.958	50	40	HKGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(Br)c1	5369688	UWXKZUUAIKXRFJ-UWLAKRBBSA-N	413.359	5.391	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	408526225	BDDLMQJVNQBSTC-LQKURTRISA-N	410.521	5.118	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)Cn1cnc2ccccc21	408691522	BVKLODJSJWEMIJ-PTNGSMBKSA-N	404.267	5.666	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	408845277	VOLCNNLATRNECM-WVRBRBFTSA-N	408.929	5.521	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	409068930	KLZZFBKOPYSBDF-QGOAFFKASA-N	408.885	5.188	50	40	HKGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	1240498	DFXKQVIQMUSXSO-XMHGGMMESA-N	417.534	5.772	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(F)cc1	1439504	PPZXCXJEDVSKHU-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl	6428641	FQCVMCKELVQTNC-FOWTUZBSSA-N	409.272	6.331	50	40	HKGB	
COc1ccc(CCCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1	6922129	XAYLGFNAEXFZCJ-MYYYXRDXSA-N	410.901	5.390	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OCC(C)C)cc3)n2)cc1	17051801	KOIGTAWIMIDPID-DEDYPNTBSA-N	417.534	5.908	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br	408741290	ICZZVJHWBOWUEB-JYRVWZFOSA-N	405.679	5.047	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c2C)cc1Cl	408802211	YMMVXUNUWKOPAG-HYARGMPZSA-N	417.940	5.322	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	408878591	CCKIUMNAVHUSDB-CPNJWEJPSA-N	420.871	5.912	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2ccccc2F)ccc2ccccc12	408882577	RFJXALILMMQQRS-HAVVHWLPSA-N	420.487	6.424	50	40	HKGB	
N#C/C(=C/Nc1ccc(Br)cc1F)c1nc(-c2ccccc2)cs1	5023930	CKGPUZQHQRZYRU-RAXLEYEMSA-N	400.276	5.688	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)[C@@H](C)CC(C)(C)N2C	208226746	NSDYCEOIVYIOAQ-OWAQKBPCSA-N	417.475	5.500	50	40	HKGB	
CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCBr)cc1	225695874	GGRRCCMVKSVJBY-UHFFFAOYSA-N	414.384	5.266	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1C	408741560	QPYBVFJZUQLJSW-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1	408786345	HVWBNUAFZUDHEL-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1ccccc1F	408872138	LGHIJXVRDNRXNA-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409052886	BEMFXEFEXWFHEB-MDWZMJQESA-N	407.684	5.757	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(C)cc3C)c2C)cc1	409188216	XNDBNQIEYLIKRN-MYYYXRDXSA-N	404.514	5.265	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2)c1	409239826	FLSVNFVBPMKUEH-BWAHOGKJSA-N	410.517	5.230	50	40	HKGB	
CN([C@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1857795146	OUMOIKKJQPXFKP-FUFSCUOVSA-N	423.562	5.255	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccncc1	710737	ZDRKLMIHIFHXCM-RPPGKUMJSA-N	423.303	5.155	50	40	HKGB	
O=S(=O)(N[C@@H](c1ccccc1)[C@@H](Cl)c1ccccc1)c1ccc(Cl)cc1	1066501	OHHMWQSOGNTQQA-PMACEKPBSA-N	406.334	5.340	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1OCc1ccccc1	1410701	ICVXZBYRQQJSRX-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
CC1(C)C[C@@](Br)([C@@H](Br)c2ccccc2)C(=O)c2ccccc21	1580683	MDEGEBFGWNEVQW-QFBILLFUSA-N	422.160	5.821	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1	4047916	PLCAYHLRYHAPFD-BUVRLJJBSA-N	405.501	6.101	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCCc1ccccc1	4544475	KJKDADJQOOGQGR-CJLVFECKSA-N	416.908	5.185	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1cccc2ccccc12	6345282	BKGRMNSZCQRPGV-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)NCCc1ccccc1	23382625	CBRVPIUSZYGTSL-CJLVFECKSA-N	416.908	5.185	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCc2ccccc2C1	33303868	HZLGBSNAYIWYER-WQRHYEAKSA-N	423.299	5.745	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)cc1C	59248818	NAWMEHRIRHRRCA-LGMDPLHJSA-N	420.310	5.402	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OCC	408540218	ORGQKTRMASDTRC-OOAXWGSJSA-N	424.585	6.151	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408740974	FZFZEZJBNIXLEH-XIEYBQDHSA-N	417.512	6.307	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)NCCc1c[nH]c2ccccc12	408845098	FFOICUGUOZXVNU-AQTBWJFISA-N	415.880	5.347	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(CSCc3ccccc3)cc2)CC1	408858661	JZHLELRZKLQETN-UHFFFAOYSA-N	408.611	6.442	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408874375	AQRMXHXTRUPJPL-IWFPIZSYSA-N	419.956	5.619	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn([C@H](C)CC)c4ccccc34)cc2c1	409188262	XZZNVXNTJHZKIQ-OOHHOYHOSA-N	403.482	5.521	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	1782634	KNMUKTIFQMXVNJ-FIKCODCVSA-N	402.494	5.060	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccc(Br)cc1	2053260	SESLDKNIASVRPE-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)[nH]c2c1	4739915	HKQOFCXWUAKDJH-GXDHUFHOSA-N	409.367	5.914	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	4778823	NTBBSJKHLAWAGK-OOHHOYHOSA-N	410.901	5.643	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)NC1CC1	5900189	FQEMRRSTZXDYQC-OQLLNIDSSA-N	410.304	5.182	50	40	HKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	8387224	KEPMKOSMEIENSX-NTCAYCPXSA-N	422.340	7.247	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1nc2ccccc2[nH]1	16525047	LLBOEEADZKSRNU-LICLKQGHSA-N	420.299	6.513	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1COc1ccc(F)c(Cl)c1	20312812	HMESZUKQCMOLKE-OQLLNIDSSA-N	401.865	5.589	50	40	HKGB	
O=P(Cl)(C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2	195528726	VMODRLNZYUOOIR-TXVYHOLXSA-N	421.776	7.164	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	408724598	CFDGZZCDFKIWJY-UNOMPAQXSA-N	410.300	6.645	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1	408810645	PRGVJUKVOAQBHB-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1Cl	408831892	VZUPLCQLPMDJJH-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1C	409063257	JMIZGLMGJXKTRB-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1)c1ccccc1	409243621	ZDLVCMWAZGFCJR-VVZNPABPSA-N	420.310	5.024	50	40	HKGB	
CC1(C)C[C@](Br)([C@@H](Br)c2ccccc2)C(=O)c2ccccc21	1580684	MDEGEBFGWNEVQW-LPHOPBHVSA-N	422.160	5.821	50	40	HKGB	
CC(C)(C)C(=O)[C@@H](Br)[C@H](Br)c1cccc(C(F)(F)F)c1	3156997	NXVDTMWABHJCCM-MNOVXSKESA-N	416.075	5.520	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	5022211	XGLYDMCVHFGXTP-RIYZIHGNSA-N	401.369	5.801	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccccc1Cl	5872605	JFMJUBAKFAXTLQ-KGENOOAVSA-N	417.892	6.108	50	40	HKGB	
O=C(Cc1ccccc1)OC(=O)c1cc(-c2ccccc2)nc2ccc(Cl)cc12	101500427	WZMDFDFDXQUICA-UHFFFAOYSA-N	401.849	5.481	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1nc2ccc(F)cc2[nH]1	408568582	KNWDQGVSUXSXOG-STZFKDTASA-N	419.459	6.498	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br	408809540	HKXCMGUQWHGLER-SFQUDFHCSA-N	413.315	5.346	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)cc1	408885324	ZJHNGXXFERZBTD-HAVVHWLPSA-N	420.487	6.424	50	40	HKGB	
Cc1ccsc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408926757	YFODKLSETSTSMP-ZVHZXABRSA-N	400.588	5.440	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)cc2)cc1	409016378	RWDUUFVHZPABFB-WGARJPEWSA-N	418.880	5.738	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1ccc(Br)cc1	409022140	GBUWRTFOIYJDGX-WJDWOHSUSA-N	418.250	5.126	50	40	HKGB	
N#CC(C#N)=C(Nc1cccc(C(F)(F)F)c1)SCc1ccccc1[N+](=O)[O-]	6756791	YCKLVJPWCKVSGQ-UHFFFAOYSA-N	404.373	5.218	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1	9445028	DOORJHLVWMTJDG-SFQUDFHCSA-N	424.367	6.420	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@@H](Br)C2=O	13133264	FHNPPLVMNBLNFV-VUCTXSBTSA-N	419.146	5.091	50	40	HKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1	59117092	IWWCIBSCIAIHGX-XDHOZWIPSA-N	416.864	5.413	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1	110258654	WSHIPNIPSQXCPJ-UZYVYHOESA-N	406.526	5.980	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1Cl	137591803	WCXDUWXGVWBOBD-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)c1ccc(Br)cc1	408580945	SNWYIQHICRBYBI-XDHOZWIPSA-N	408.270	6.231	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1ccccc1F	408878770	AXJXNTNGPPTPMD-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408894570	RGPPMDDOTFBJRJ-GHRIWEEISA-N	417.336	6.498	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	409122245	ZJQRLGCAJCZNEZ-AFUMVMLFSA-N	414.336	5.484	50	40	HKGB	
CSc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1	985836	CGAJLHZLIDUMLC-FQEVSTJZSA-N	416.550	5.215	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	4135191	RHKAYRASIADTQI-PTNGSMBKSA-N	403.438	5.341	50	40	HKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)o1	4525787	AIAGHJYTQKFOBW-LFIBNONCSA-N	406.463	5.039	50	40	HKGB	
CCC(C)(C)[C@@H]1CCc2[nH]nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c2C1	4677695	SOIWYKDTSASMCE-ICXMQADFSA-N	407.345	5.022	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(C)cc1[N+](=O)[O-]	5093482	PUBPWLBFGPFGOY-LFIBNONCSA-N	406.467	5.320	50	40	HKGB	
C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21	15231288	SGCXAKOFOZEFHA-QINSGFPZSA-N	410.304	5.988	50	40	HKGB	
CC(C)(C)c1cc(/C=N\NC(=O)c2csc3ccccc23)cc(C(C)(C)C)c1O	17088089	ZOJWRFZYJQUOCS-MXAYSNPKSA-N	408.567	5.966	50	40	HKGB	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	18063660	FOIAIPGLHIILOD-QGOAFFKASA-N	407.926	5.364	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)COc2ccc(Cl)cc2)c1C	59104861	ZGAKHGRAUFOEPI-VULFUBBASA-N	423.944	5.147	50	40	HKGB	
Cc1ccc(C(=O)/C(C#N)=C(\Nc2ccccc2)SCC(=O)c2ccco2)cc1	104841777	MSFRLCFZHNSESG-FCDQGJHFSA-N	402.475	5.234	50	40	HKGB	
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/CBr)CC[C@H]4[C@@H]3CC[C@@H]2C1	118931566	NLDPKKXGYUXOJP-WFLODTMXSA-N	423.435	6.282	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1	207148188	VLXKBEYVKCHXKT-BKUYFWCQSA-N	416.908	6.027	50	40	HKGB	
CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1	252510960	ZSSWJXORFHQNBF-XDJHFCHBSA-N	400.434	5.059	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1C	408565812	ASHPWFRNXZTJFJ-RDRPBHBLSA-N	422.528	5.728	50	40	HKGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2Cl)cc1	408835458	XAJNCTVNPSUBIL-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408877671	XOZUYARPLOMZEH-NTEUORMPSA-N	406.791	5.469	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nc(C)cc(C)n3)o2)c1	686867	LFXVLJXJXNQLSS-GZTJUZNOSA-N	404.495	5.000	50	40	HKGB	
Cc1nc(-c2ccc(/N=C/c3ccc(N(CCCl)CCCl)cc3)cc2)cs1	1752338	LOLFTQDZHXHGGQ-ZVHZXABRSA-N	418.393	6.153	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)c1nn(-c2ccccc2)c(N)c1C#N	4156824	DRJRHBHMLPRBRF-FOWTUZBSSA-N	411.852	5.304	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1ccco1	5444507	FJLLRCSIEYDVPF-PCLIKHOPSA-N	401.491	5.274	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1ccc(Cl)cc1	5771545	SNIPMUVDEMEPKY-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
O=C(N/N=C1/CCCCc2ccccc21)c1ccccc1OCc1ccccc1Cl	6890740	BCMBNLRCGBEUCW-VYIQYICTSA-N	418.924	5.780	50	40	HKGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	8400391	BCQCPUQXKMNOTA-FOKLQQMPSA-N	419.333	5.637	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1)c1ccc(C)cc1	12463316	LHPLBPJFSAINSS-DIBXZPPDSA-N	424.504	5.118	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3C)c2C)c1	28215832	YQFGECPMDZTASO-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1	35384903	LTVVYYBGVYPDKZ-UNOMPAQXSA-N	420.852	5.900	50	40	HKGB	
Cc1ccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCCC2)cc1	225512447	LGPHOUGAUXHIKG-UHFFFAOYSA-N	402.332	5.219	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	408538480	NOEAVGQBLLRGJA-LGMDPLHJSA-N	417.336	6.498	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	408745206	QDUASBOBTSSRRA-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1C	408847588	QLVIVODVJGMCFH-IWIPYMOSSA-N	411.549	6.127	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)c(C#N)c1C	409181625	DICDYJGMSZMBIB-MZJWZYIUSA-N	410.477	5.093	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(C4CCCCC4)c3C)cc2c1	409186332	ALVAMMDJRUIIOI-MYYYXRDXSA-N	407.514	5.519	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(Cl)cc4)o3)cc2c1	409187492	RDAJAVZKKJINHQ-CFRMEGHHSA-N	408.841	5.509	50	40	HKGB	
C[C@H](P)[C@@H]1CCC[C@@H]1P(c1cccc2ccccc12)c1cccc2ccccc12	585656275	FJSLNVSKVUMXRX-JTJYXVOQSA-N	414.469	6.858	50	40	HKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2669652	BRTCDNQGDKKWLC-DTQAZKPQSA-N	420.336	7.064	50	40	HKGB	
CCC(C)(C)c1ccc(OCCCC(=O)N/N=C/c2cccnc2)c(C(C)(C)CC)c1	3231849	BRLLIABEOYVWJV-TURZUDJPSA-N	423.601	5.766	50	40	HKGB	
CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C=N\NC(=O)c2cccnc2)C(C)(C)CCC1	5497353	RZZQUTADLRVOLI-IQKTVWTJSA-N	403.570	6.329	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl	9323481	XZSAKUPABWFPII-AUEPDCJTSA-N	421.667	5.169	50	40	HKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3Cl)n2)c1	13774198	DOTKBMPWTJTGQG-RAXLEYEMSA-N	402.306	6.102	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1Cl	28287354	RBHZOBJGYAMIHE-JLHYYAGUSA-N	417.679	6.452	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(-c2ccccc2)n[nH]1	57476905	QHHAYHOSZUOYRO-LGJNPRDNSA-N	424.382	5.119	50	40	HKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	110207441	BUGCEMKTIPJISV-RVDMUPIBSA-N	417.278	5.313	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)ccc1Cl	252498926	RQWHITUXVRAPAS-LFIBNONCSA-N	420.852	5.241	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccc(F)c1	409393870	STVPUMBKRAAGDM-WQRHYEAKSA-N	421.302	7.200	50	40	HKGB	
COc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1	4794864	BSIQUWBOQPLVEF-SDNWHVSQSA-N	412.312	5.558	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccccc2F)c1C	5986619	QSKYFYNSASOWKO-JFLMPSFJSA-N	415.468	5.159	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	6427517	BLTGAQMWPIFCRX-SFQUDFHCSA-N	406.526	5.541	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1	23410974	XYNYUPGNYSGORP-NLRVBDNBSA-N	409.574	5.140	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)cc1	408793528	PIPBMKLKPRJVQW-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)s1	409017655	NXHRWUUEPMYOJB-QINSGFPZSA-N	410.951	6.407	50	40	HKGB	
C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2C[C@@H]1[C@H](C)C2(C)C	2202132	PBYXGDYSESXBPF-OZAHESQGSA-N	404.591	5.856	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(Cl)c1	2314576	ZAZMSBFKLHGCND-OPEKNORGSA-N	406.791	5.691	50	40	HKGB	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](Cl)c1ccccc1Cl	3131853	MZIMQOGLWFBAPN-ZDUSSCGKSA-N	416.148	6.296	50	40	HKGB	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1	9668271	CXCXGNBKVNHVQF-CPNJWEJPSA-N	422.311	6.671	50	40	HKGB	
CCCC[C@@H](CC)COC(=O)CSSCC(=O)OC[C@H](CC)CCCC	14982202	YREDCFUZMPDCSM-QZTJIDSGSA-N	406.654	5.887	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(NC(=O)c2ccco2)cc1	17093568	IPQSCQDKPRPYDU-MTDXEUNCSA-N	423.472	5.353	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc(-c4ccccc4)n[nH]3)o2)cc1Cl	67197100	MVKRNZZCYKGEMU-ZMOGYAJESA-N	404.857	5.062	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Oc2ccc(F)cc2)cc1	100947991	XGTGTHUTLUJFEY-JAIQZWGSSA-N	408.436	5.627	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OCC	108213963	PENUFZCKGPASOM-JAIQZWGSSA-N	422.322	6.464	50	40	HKGB	
CC(C)[C@@H]1CCC(=O)C[C@@H]1CCCC[C@@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C	195503593	YFMIIKKOFCPZSV-YDLSIGKMSA-N	408.699	6.558	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc21	208246133	DMCOFRIASMIDQR-WJGWSCHNSA-N	419.956	5.979	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Sc1nc2ccccc2[nH]1	408598678	IFFFEUDIHGIBAV-GXDHUFHOSA-N	422.853	6.041	50	40	HKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(C=C(C#N)C#N)c2-c2ccccc2)cc1	408740334	BCFMBQXIDSRELK-UHFFFAOYSA-N	415.496	6.641	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	408801221	SKJLZNPESQEJNO-KNTRCKAVSA-N	400.478	5.573	50	40	HKGB	
COc1ccc(C(=O)[C@@H](Cl)[C@@H](Cl)c2cc(Cl)c(OC)c(Cl)c2)cc1	1685472	NTLSRRWXWHTNQB-GJZGRUSLSA-N	408.108	5.781	50	40	HKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1F	3251590	HJSYTEZCWYGPGN-TURZUDJPSA-N	409.464	6.059	50	40	HKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	9261691	GLHFXYAOUXQIHG-GHRIWEEISA-N	417.295	6.845	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	11666780	RHHGQDDDDBIJNQ-OOHHOYHOSA-N	410.901	5.118	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1	39884519	JXVISDOFDAKXHD-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223555849	HVMLNAVDHRNIJJ-IAFWPLRWSA-N	401.554	6.041	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	408543875	SIARKHSXQTWEAF-MHWRWJLKSA-N	408.299	5.571	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1	409361642	CRTJJYOYCXNCTB-OGLMXYFKSA-N	409.533	5.253	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	2876992	CMBTXWDEYDBVLS-UDWIEESQSA-N	418.424	5.776	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	19848326	IVORZBYCVZWMCC-JOCHJYFZSA-N	421.566	5.928	50	40	HKGB	
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3sc4ccccc4c3Cl)ccc21	20428227	CVCRCTJNEFNSLI-DHRITJCHSA-N	417.921	5.964	50	40	HKGB	
COc1ccc(C(=O)NC(C#N)=C(Sc2ccccc2)Sc2ccccc2)cc1	27988113	NLSXJRCCWFTGDU-UHFFFAOYSA-N	418.543	5.702	50	40	HKGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58886750	QYEYIKHKKDWCPZ-BBMHEYIBSA-N	417.292	5.217	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	109030251	FBMIONRNNPNJFM-CJLVFECKSA-N	420.553	6.207	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)c1	260572341	USZXOVWOGCYSQW-ZWAQGKOVSA-N	415.581	6.350	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1	408805895	MCLZNEVKHFWMHO-NGIIGVMLSA-N	405.501	5.474	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2cccc(C)c2)c1	408810295	PGGGTNPEBNHBCR-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1C(C)C	408848573	RRGFCMYVCXHUMK-JVWAILMASA-N	417.553	5.689	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1cccc2ccccc12	408893650	GKINNMZQTNFRHG-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1C	408961760	DUUISWGNYIBZPD-UVHMKAGCSA-N	413.443	5.494	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409075548	WVQVIZJGPQIPFA-UCQKPKSFSA-N	411.914	5.655	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccccc1	409192878	FNRWMOZKMCSMNR-UNOMPAQXSA-N	424.928	5.283	50	40	HKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409361412	HDRPDKXFFYPROG-YSURURNPSA-N	422.699	5.469	50	40	HKGB	
Cc1cc(C)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1C(Cl)Cl	1103319	CEBCJKFXCSZJLN-SFHVURJKSA-N	419.352	5.539	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1	4309309	ZXEVYVQAAOVRBZ-WOJGMQOQSA-N	413.373	7.524	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1O[C@@H](C)c1ccccc1	13424362	DCWWDRXBZUEBBP-XESZTULISA-N	400.434	5.808	50	40	HKGB	
C/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(-c2ccccc2)cc1	34257396	CAHDRHOBHCYUPO-OOAXWGSJSA-N	400.522	5.705	50	40	HKGB	
CCOC(=O)/C(C#N)=C1\C=C2C=C(/C=C3\Sc4ccccc4N3CC)CC[C@@H]2CC1	39440284	UYLRCNPAVNWIOR-BMJMSCAVSA-N	418.562	5.900	50	40	HKGB	
C[C@]12CC[C@H]3c4cc(CN(CCCl)CCCl)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	104388265	YOJVFPIMXJSMJL-YNQURBJZSA-N	424.412	5.097	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(-c2ccccc2)n1-c1ccccc1	408769671	YXMQNTUGDXFIGK-NKFKGCMQSA-N	403.485	5.998	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408793517	FFGCZPHRAMPNHL-UKTHLTGXSA-N	405.679	5.047	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1	408807492	CLSOWJDADJSOGV-MYYYXRDXSA-N	401.466	5.003	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1	408851368	YAWUFXYSXXVYKJ-VULFUBBASA-N	422.912	5.308	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1	409236463	GRGFJXKMXREUKE-WIZMWCRPSA-N	414.490	5.091	50	40	HKGB	
N#C/C(=C/c1cccc(Br)c1)c1ccc(I)cc1	409369070	ZXYXKXGIVNOMTE-JYRVWZFOSA-N	410.052	5.118	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc(F)cc1	409390041	DHIOOBDYWPTIIE-XKZIYDEJSA-N	417.455	6.345	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC	5673250	LTROWCKAAPHLBB-RIYZIHGNSA-N	405.281	5.255	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccc(C)cc4[nH]3)o2)ccc1Cl	8435427	FEALTNDAYAGILS-XNTDXEJSSA-N	417.852	5.636	50	40	HKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	8818341	AJSMUWXZRYSWPX-RVDMUPIBSA-N	423.328	6.642	50	40	HKGB	
N#CC(=C\c1ccc(SCc2ccccc2)o1)/C(O)=N/c1nc2ccccc2s1	20324553	PVWQPMYFWPRKIL-FOWTUZBSSA-N	417.515	6.377	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1c(C)n(CCOc2ccc(Cl)cc2)c2ccccc12	27834575	YFKRSBQPYYLERH-SAPNQHFASA-N	408.885	5.152	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473263	URHKKBGFPFVLOW-YZSQISJMSA-N	418.562	5.673	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1	96624522	GUWVQZGZLXUMRP-RGEXLXHISA-N	416.864	5.413	50	40	HKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C/Nc1ccc(SC#N)cc1Cl	101148966	ASYURSNDHAHCBD-OQLLNIDSSA-N	403.294	5.285	50	40	HKGB	
Cc1c(CC(=O)N/N=C2\C=C(O)CC(C)(C)C2)c2ccccc2n1Cc1ccccc1	102032045	RUKOUVWJBCJBLA-NHFJDJAPSA-N	415.537	5.275	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl	408580054	MUGJWZYFFHWSOW-RIYZIHGNSA-N	411.126	6.609	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1F	408802478	FKSBQBYWPLZOAC-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CCOc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccc(Cl)cc1	408847186	PSKUOWLMFHKOFO-UHFFFAOYSA-N	417.690	5.511	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1ccccc1F	408871690	ZCZQIVSUOHBVCA-KGENOOAVSA-N	400.453	5.361	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1Cl	409064854	QHWGREHKORVUMQ-XDHOZWIPSA-N	419.912	5.610	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccc(F)cc1	2308652	JWKQBMRQBZLBKF-MOSHPQCFSA-N	420.447	5.246	50	40	HKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	4905420	SJSDAHHZYJBBPN-ZJDNUYQWSA-N	408.505	5.062	50	40	HKGB	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1)c1cccc(Br)c1	5369657	UWXKZUUAIKXRFJ-FFSVQTDXSA-N	413.359	5.391	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1c(Cl)cccc1Cl	6209915	GYASUZDQMFWEOP-FOWTUZBSSA-N	409.272	6.331	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1Cl	14134458	JJOUZINRBSWGFD-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	20763989	YHJLKBJIDPZWMG-DHRITJCHSA-N	402.372	5.128	50	40	HKGB	
Cc1ccc(SCCOc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1	41078045	FWRPLSJHFSPDKX-LTGZKZEYSA-N	416.502	6.139	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OC	59335674	KTTSTSVBCQBXKG-BOPFTXTBSA-N	411.299	5.040	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccccc1F	408541066	BGCCNGGIWHGHEY-STZFKDTASA-N	410.448	5.900	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C	408691741	OMJBHQZCHONHIT-ODLFYWEKSA-N	400.913	6.013	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C	408849535	WYLRNIFRLBLTFU-MXAYSNPKSA-N	405.885	5.566	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1	408866609	HJAAPOFOMGHJFW-KGENOOAVSA-N	418.899	6.178	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2C)cc1	409189319	JFOIGKNTWDCLLW-MOSHPQCFSA-N	410.439	6.576	50	40	HKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1	409351012	WTRSVDODQJEARM-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1cccs1	1455690	IZFPTRMTYOAGII-LFIBNONCSA-N	422.531	5.507	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1O[C@H](C)c1ccccc1	4512154	INNNHKDJLBZVIA-UPMNJHNBSA-N	403.482	5.381	50	40	HKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)cc1	4923521	USLZBCMVCNKNPR-OAQYLSRUSA-N	421.541	5.388	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(F)cc1	8812196	GXLMJIXOIJOOQF-MUFRIFMGSA-N	421.475	5.746	50	40	HKGB	
O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1cccc(Cl)c1	13286043	PGCCAUJISDYKQF-QQXSKIMKSA-N	417.896	5.138	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1C	16439305	RWVFXYSKLHHZEV-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)cc1	33854607	DUADZMXPLHRIDC-DIBXZPPDSA-N	419.572	7.158	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)C(CC)CC)ccc1OCC(=O)Nc1ccccc1	96315893	DENJCFUBQYALIU-XSFVSMFZSA-N	420.509	5.015	50	40	HKGB	
C#CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408579933	LOUOJXGTBPEIHX-MDWZMJQESA-N	407.094	5.832	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2sc(C)c(C)c2C#N)c1C	408746013	WNCQXMNPQHHIPA-JAIQZWGSSA-N	414.534	5.498	50	40	HKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1	408847818	SKCCQQHOEQTTKO-QQXSKIMKSA-N	413.477	5.169	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2cccc3ccccc23)cc1)c1cc2ccccc2o1	408854529	HNLNBXMXUYQNAV-QRQIAZFYSA-N	420.468	5.929	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	409359241	AOLFCPIPDGEPEZ-RWPZCVJISA-N	413.496	5.138	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)n1	409381854	WQDIKEOWBCAFBL-RQZCQDPDSA-N	413.308	5.462	50	40	HKGB	
CCOP(=S)(OCC)Oc1cc(C)nc(-c2cc(Cl)cc(Cl)c2)n1	2154225	GNEQOPFOJPAALO-UHFFFAOYSA-N	407.259	5.435	50	40	HKGB	
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c(C)c1	4807949	YZYPRDMDSSDQFQ-MHWRWJLKSA-N	414.361	7.019	50	40	HKGB	
N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccccc2)cs1	5706255	IBFIQWMXLVHXIB-SDNWHVSQSA-N	403.454	6.399	50	40	HKGB	aggregator
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OC(C)C	5814973	MKRHMPIDEAORJE-VIZOYTHASA-N	419.308	5.643	50	40	HKGB	
CCOC(=O)c1sc(NC(=O)c2cc(Cl)cc(Cl)c2)c(SC#N)c1C	8879338	SSOTYYHONARMJA-UHFFFAOYSA-N	415.323	5.366	50	40	HKGB	
CCCOc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	20010554	KNMUKTIFQMXVNJ-LJQANCHMSA-N	402.494	5.060	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	33671854	HRDDDRCZDCVGCQ-JJFYIABZSA-N	409.269	5.071	50	40	HKGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	34720582	RVXYQPRWCPLYPW-NBVRZTHBSA-N	416.550	5.035	50	40	HKGB	
NC(=O)N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	59427531	OMKJSJLENKXJGT-JVWAILMASA-N	414.896	5.467	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	98001494	RRSKUWQZYLKANY-NHFJDJAPSA-N	405.542	5.842	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1[C@@H]1C[C@H]2C=C[C@H]1C2	103119659	HSYSEAFNRKHXOD-KJLVNVKXSA-N	412.537	5.506	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21	208469385	VRVALXMPVBMUIY-MXAYSNPKSA-N	407.901	5.482	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1	209491320	XDAVWCICPMZBFP-FYJGNVAPSA-N	404.307	6.401	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccccc1Br	408541892	IKRKWROOMXKMFA-UNOMPAQXSA-N	421.294	5.619	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)cc1	408745875	WBPKEINJJHXALB-ULJHMMPZSA-N	418.496	6.273	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408812286	LMLLOFXZTSNLML-JBBLAHPTSA-N	403.309	5.855	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCCC1	409371923	MNKUCULSLKIETO-GZTJUZNOSA-N	401.293	5.102	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1	2289862	DTLNLSCHIRZANK-JLHYYAGUSA-N	416.731	6.203	50	40	HKGB	
O=C(Cc1ccccc1)N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	2343239	UQXSWGQALASCMX-FOKLQQMPSA-N	407.684	5.600	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2cc(C)ccc2C(C)C)cc1	3158222	BLRGINICNCZWTG-YZSQISJMSA-N	409.574	5.274	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Br)o1	6410493	PMBIEPPPLJCWHI-NTCAYCPXSA-N	407.267	5.563	50	40	HKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	9289384	SQOSCQBTJKWELJ-WSDLNYQXSA-N	417.690	5.055	50	40	HKGB	
CC1=C(C#N)[C@H](c2cccc(OCc3ccccc3)c2)C2=C(N1)c1ccccc1C2=O	25337907	SDEITIATCJVRIK-DEOSSOPVSA-N	404.469	5.358	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC(C)C	33339758	FAGDNXUYHSOVPS-ZSOIEALJSA-N	405.281	5.335	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	59266481	NJQYTERXTXEQAM-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
O=P(Cl)(Cl)C12CC3C[C@](Br)(C1)C[C@@](Br)(C3)C2	101051831	STCISZFNVRSMJE-XWJSGITJSA-N	410.901	5.661	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\C(Br)=C\c3ccccc3)n2)cc1	103141521	JIKDJOFBGQVBRD-NOQBVXGDSA-N	423.335	6.162	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	107705938	HZTVGWJPUQMDIJ-HAHDFKILSA-N	406.441	6.391	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc2ccccc2c1	408548503	HWDYBNVTVMTQAE-ZHZULCJRSA-N	400.275	6.926	50	40	HKGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC	408778088	AOGFKMVGLGBTAY-SILNSSARSA-N	421.541	5.266	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(F)cc1	408856296	JVLIEURTEZCOLK-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408869629	SOJIDMSZYUXQKO-GHRIWEEISA-N	420.390	5.416	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2cccc(F)c2)c1	408888048	WBKIGTUTKIGYRG-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	409043771	AMMVUBVZFNPDGC-NTUHNPAUSA-N	409.700	5.981	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cc(Cl)ccc1Cl	409189187	FCKTWPPZNLDXFW-YBEGLDIGSA-N	402.325	5.367	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)c(Br)c1)c1ccccc1	409365309	QMYQSXCTLOYLSR-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cccc(OCc3cccc4ccccc34)c2)NC(=O)N1	409369050	ZGZJEKXWAAUQHC-HSZRJFAPSA-N	411.505	5.596	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)c2cccc(F)c2)cc1I	409392071	KQBJOANJWTZMPO-DHDCSXOGSA-N	405.210	5.059	50	40	HKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2Cl)[C@H]1c1ccccc1Cl	705973	VSTMMBBVSFNUGV-FFXXTYGZSA-N	409.316	6.323	50	40	HKGB	
N#Cc1ccccc1Cn1cc(/C=N/NC(=O)c2cc3ccccc3o2)c2ccccc21	2301859	BQEPFRSHEZBZNV-RWPZCVJISA-N	418.456	5.071	50	40	HKGB	
Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@@](C)(CBr)S2)cc1	2361609	KYBNTAMACFQULU-LJQANCHMSA-N	418.360	5.290	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(CCCC)cc1	3144730	LWCKUYJUPXMMDN-OVVQPSECSA-N	416.521	5.276	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)ccc1Cl	5540387	HNFCCZCSWNCKHT-VULFUBBASA-N	402.881	5.484	50	40	HKGB	
N#C/C(=C/c1ccccc1Br)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13774651	RSFRDOZUWRTDIV-ZSOIEALJSA-N	412.268	5.545	50	40	HKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	33637800	ONWIOONHCJWFMS-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccccc1F	33653264	YQCVXSMBUXWQMX-AQTBWJFISA-N	408.270	6.231	50	40	HKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	59474307	QERRYYDNRSATOE-WBILBPDKSA-N	418.949	6.277	50	40	HKGB	
COc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3-n3cccc3)o2)cc1Cl	71335779	MZGVZTLZJCXLBO-MYYYXRDXSA-N	419.868	5.163	50	40	HKGB	
BrC1C2(SCCS2)[C@H]2C[C@@H](c3ccccc32)C12SCCS2	103988573	FRLOUEROUMPIGM-STQMWFEESA-N	417.484	5.387	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NC1CCCCC1)[C@H](C)CC(C)(C)N2C(C)C	223606997	BTYCGPDVZFLTND-UOIFGXKSSA-N	407.602	5.852	50	40	HKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1	409243005	UFPNWPGMTXYPRB-BOPFTXTBSA-N	424.378	5.714	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(F)c1	409394396	ZXYBLCDGLQTNQX-UKTHLTGXSA-N	413.202	5.821	50	40	HKGB	
Cc1ccc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc12	1223571	QSLUEOGRTXCRPT-NRFANRHFSA-N	411.892	5.876	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2773901	YIJZTUNGKHFMTQ-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
O=[P@]1(N(CCCl)CCCl)OC(c2ccccc2)=CCN1c1ccccc1	6579063	AXNOPPOKQYPBKB-AREMUKBSSA-N	411.269	5.452	50	40	HKGB	
O=CC(C(=O)c1ccccc1)=C(SCc1ccccc1)SCc1ccccc1	6829538	LLLLYIZHZQLLAJ-UHFFFAOYSA-N	404.556	6.147	50	40	HKGB	
N#CCC(=O)NN=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	254407377	CLJXEDPVTVANEP-UHFFFAOYSA-N	404.473	5.175	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)cc1	408810540	TZELXRGDSPAHRQ-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1C	408811398	QXKQRLIEWZIKHX-LDADJPATSA-N	407.876	5.741	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cc(Cl)cc(Cl)c1	408855767	DISBJQGWPFQDDW-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1O[C@@H](C)CC	408941130	JVKSEARUMMHFAQ-ARCFYCQJSA-N	414.889	5.426	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)cc1	409214545	VXJNENJXZWPALK-RHANQZHGSA-N	417.512	5.915	50	40	HKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	2106651	OTVRYZXVVMZHHW-QGCYDVEPSA-N	405.110	8.635	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1C	4794795	KAIJXIUVPKJZKH-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1C(C)C	6188652	SGZSHZCYBRTQOB-LICLKQGHSA-N	419.550	5.485	50	40	HKGB	
CC1(C)[C@@H](C(=O)N/N=C\c2c3ccccc3cc3ccccc23)[C@@H]1C=C(Cl)Cl	6782555	NVAQMBCHVWXZDG-XDBCIVRSSA-N	411.332	6.034	50	40	HKGB	
CCCSC1=C(C#N)[C@@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	19901071	KQNOOXFUAXNWLS-JOCHJYFZSA-N	419.550	5.173	50	40	HKGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59436875	CISUYKBCINAEOZ-ZVHZXABRSA-N	410.926	5.161	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473465	NLYLORJKNDYHIO-PCLIKHOPSA-N	404.535	5.283	50	40	HKGB	
CCCCN(Cc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	102565232	CXVYYKMTWKBPQE-UHFFFAOYSA-N	424.548	6.198	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc21	208475409	PRLKZJKSRUBHGY-ZDLGFXPLSA-N	405.929	5.826	50	40	HKGB	
CC(C)[C@H]1C[C@H](C)CC[C@@H]1OC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2	252429296	XDESLZPXEGCJAM-GZAMGDIRSA-N	411.424	5.970	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(F)c2)cc(C)c1OCc1ccc(Cl)cc1	408845514	KAUAUYASSDOFLC-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccccc1	408876524	PRYZFQSUWZXCDR-OQKWZONESA-N	406.460	6.115	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	408879827	HAXJDMVLYVUZTA-XMHGGMMESA-N	407.300	6.130	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1	408971162	NESXJSOJQWYKQK-YVNNLAQVSA-N	423.321	5.379	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1	409022162	HEEVICMMGHHMJI-CIAFOILYSA-N	402.928	5.325	50	40	HKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)o1	409029504	AKGWTPNLQSPBQG-ONUIUJJFSA-N	412.493	5.105	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc(Br)c1)c1ccccc1	409239365	MZRAOVQRUSOFDT-CQUHBBLWSA-N	420.310	5.024	50	40	HKGB	
O=C(c1ccccc1)N(Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1	1721755	UKKGJMDYGSZKAF-UHFFFAOYSA-N	406.529	5.946	50	40	HKGB	
O=C(NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(Cl)cc1	2284009	MBIVKWDWMLEBQE-UHFFFAOYSA-N	416.872	5.008	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccccc3)c2C)c(C)c1	4894801	ONWIWHNECSFHKV-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C(C)(C)C)c1O	4953745	LQHXHERVWBJXDU-LFIBNONCSA-N	421.497	5.441	50	40	HKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc(CC(C)C)cc4)cs3)c2n1	8817501	KNEMVGKWFBGKCR-PXLXIMEGSA-N	424.573	6.842	50	40	HKGB	
N#CC(=C\c1ccc(-c2ccccc2Cl)o1)/C(O)=N/c1nc2ccccc2s1	8997322	IZWXAFIGAQLOIG-ACCUITESSA-N	405.866	6.405	50	40	HKGB	aggregator
O=C(N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1sc2ccccc2c1Cl	9045114	MSXQMOXLKHESCY-WSDLNYQXSA-N	424.869	5.018	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccccc1F	28216770	NEEQKFKLCZMIDB-MJDKSPQASA-N	409.530	5.005	50	40	HKGB	
CCCOc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	32703906	KNMUKTIFQMXVNJ-KQBNZFRXSA-N	402.494	5.060	50	40	HKGB	
Cc1cc2nc3c(nc2cc1C)[C@]1(CBr)CC[C@@H]3[C@]1(C)CBr	100920274	OVZPVJQBSKKHDB-UYHISHBKSA-N	424.180	5.172	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c(C)c1	409249602	NQFKLKBESDTYKF-UQQQWYQISA-N	411.549	5.367	50	40	HKGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	3166955	SNITZYATSQKORN-LQKURTRISA-N	410.517	5.954	50	40	HKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cc(-c2ccccc2)nc2ccccc12	3350738	QCYXATBTVXIKOW-JFLMPSFJSA-N	417.415	5.267	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	4784458	LICCDVHIQGNFIG-JAYSCUBMSA-N	424.928	5.951	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)cc1	4811899	OTSDEPJVDKEXOW-IPIVFHEZSA-N	402.454	5.197	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccc(C#N)cc2)ccc2ccccc12	9202480	UWRYXLKVNXXWQK-STBIYBPSSA-N	419.484	5.363	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12	9202509	IJYJIHXTKSWQOU-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1	23114580	RFQWYQWPSNCCRU-XSFVSMFZSA-N	417.534	5.914	50	40	HKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473267	KSGIYZZAZOGAQX-KOEQRZSOSA-N	402.519	5.308	50	40	HKGB	
N#CC(C#N)=C1SC(=N/c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1	102798356	MLADKRXBDKHQRM-OGNOVMCBSA-N	405.486	5.959	50	40	HKGB	
C=C(C)C(=O)OCCCC[Si](C)(C)O[Si](C)(C)CCCCOC(=O)C(=C)C	195754659	DFACZWMAJBYXEY-UHFFFAOYSA-N	414.691	5.212	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)o1	252509810	YWEFYLQJSWJJGK-LDADJPATSA-N	415.449	5.832	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)c(C)c1	260562814	BXVBUOJUEAOTEN-GFIJVFARSA-N	401.554	5.880	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(C(=O)O)cc1	408540940	CZENQFJGHLTFLA-MOSHPQCFSA-N	412.876	6.105	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)c1	408747063	YULCLJQAVLCCPH-UYRXBGFRSA-N	400.434	5.094	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408801237	SQNMKRMHFASLAT-GHRIWEEISA-N	401.422	5.082	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c3ccccc32)c1	409002643	VVWMYXKHVZCQSA-STZFKDTASA-N	416.446	7.081	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1F)C(=O)Nc1cccc(C(F)(F)F)c1	409234756	XZVIELRHQGEVEP-WJDWOHSUSA-N	417.406	5.380	50	40	HKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)sc(C)c1C	2438883	YBSRSLHBRXVYCM-BOPFTXTBSA-N	423.563	5.950	50	40	HKGB	
N#C/C(=C1/C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1nc2ccccc2[nH]1	4864653	DGVOEBTVBIQALP-XLNRJJMWSA-N	410.864	5.197	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(F)cc1	5214366	HOZLSVQIOXSTGP-FMIVXFBMSA-N	401.224	5.938	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	5792391	QTGYWQQVABOQAI-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1nc2ccccc2n1C	6025115	DVAHJJZPJVGYIJ-KAMYIIQDSA-N	408.292	5.438	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1C(C)C	6155327	GSCBRANBXXIRHO-CVKSISIWSA-N	404.510	5.443	50	40	HKGB	
Cc1ccccc1N(C(=O)CCl)[C@@H](C#N)c1ccccc1OCc1ccccc1	12650001	NDBYPSSCIZIGBT-QFIPXVFZSA-N	404.897	5.411	50	40	HKGB	
CCCCSC1=C(C#N)[C@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1	20348215	QOWNDPNQMCWAFS-LJQANCHMSA-N	408.523	5.209	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc1)C2	59501508	OJPBPHBOJOCDQG-LGJNPRDNSA-N	403.913	5.241	50	40	HKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21	257198774	IBUFIYXHQCZETR-IIDPUWFRSA-N	420.688	5.122	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1	408583717	WZXZFBFBBHSPSG-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	408799630	HDWALFHGQPUCCD-RHKYMZEHSA-N	419.528	6.032	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1	408813617	YCJHRTMWJAVGIR-GZTJUZNOSA-N	413.315	5.344	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408874378	AQRMXHXTRUPJPL-VZBORKDESA-N	419.956	5.619	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc2ccccc2c1	408889398	GDBKVQRYLGVAIM-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967662	RLMQCFJCHNCHCS-CVKSISIWSA-N	407.945	5.809	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccccc2Cl)c1	409147227	XAHDWOQBOOJSBI-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
O=C(N/N=C\c1ccccc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1	409189067	CJNVOZONAWPAGX-QRVIBDJDSA-N	401.318	5.909	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=S)N1	409369009	WYCXSZBTFRJLKF-LJQANCHMSA-N	411.958	5.262	50	40	HKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)N1CCN(c2ccccc2)CC1	4081791	UHKUUDJLESCLRJ-FCDQGJHFSA-N	417.512	5.249	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc(Cl)c2)cc1	6412878	ZQYCSXMXDIOJDQ-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1	9404894	ZSKVWWVVNOMVOX-SFQUDFHCSA-N	416.437	5.987	50	40	HKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(Oc2ccccc2)cc1	20243967	IQBBSDWJVPKXOS-ZVHZXABRSA-N	410.926	5.516	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2NC(=O)c2cccs2)cc1	59937638	FZHZUNNSBAXUKO-BUVRLJJBSA-N	405.523	5.062	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	96751831	NNBCUIXGMGSXJD-XFXZXTDPSA-N	400.822	5.487	50	40	HKGB	
Cc1noc([C@H]2CCCN(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C2)n1	102152767	WGCVTWCRBKGKRY-NSHDSACASA-N	412.384	5.447	50	40	HKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(C(F)(F)F)c1	209987561	BRVYKDOJXHFAOI-AQTBWJFISA-N	416.402	6.557	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1	408746632	UMJHXUNCLNOQQS-UVTDQMKNSA-N	407.813	5.362	50	40	HKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(C)c1	408849762	YTAHNZKBQVEDEX-YSMPRRRNSA-N	414.461	5.093	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)c(Cl)c1)c1cccc2ccccc12	408879601	HDJLGVHNOREEIR-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1	408967153	QDRKVTSIJKMWLW-UCQKPKSFSA-N	420.516	5.805	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1Cl	409010009	AYNNEJJKKMAWDJ-UORWWSPDSA-N	424.726	5.435	50	40	HKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	4808357	PSUZRIKURJBMBP-HMMYKYKNSA-N	403.551	6.582	50	40	HKGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)c1	5054037	PYNMELYEYMZJOF-RGEXLXHISA-N	417.472	5.488	50	40	HKGB	
CC(C)c1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	9693340	ARLGFYPUHUYEDM-HXUWFJFHSA-N	423.969	5.683	50	40	HKGB	
Cc1c(C(=O)NNc2ccccc2C(F)(F)F)sc2nc(C(F)(F)F)ccc12	29820833	BCMUVUVOTGWOLD-UHFFFAOYSA-N	419.350	5.399	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1Cl	32223227	DSVVJVMJADNKEW-ZMFRSBBQSA-N	422.315	5.760	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	39884451	KQHOOJWLRWADTO-RVDMUPIBSA-N	411.288	6.361	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)cc1	58832633	NMQPCIDPLTVPMF-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2)cc1	59101451	ALUAAHOZXTWCSQ-OVVQPSECSA-N	409.489	5.129	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCc1cccs1	59534423	XXWOISNEBDOMFH-MDWZMJQESA-N	403.290	5.538	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208198224	MIHGMGLLNRZQDT-VAODSVERSA-N	409.537	5.417	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)cc2[C@@H](C)CC1(C)C	223535453	HNSAQKMUSVQHQO-LSPINASFSA-N	403.526	5.353	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc1OCC	408599618	XNVMKBDCWMXUDR-XNTDXEJSSA-N	409.898	5.284	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OC(C)C	408801858	WBDRNEACJYMPRC-MHWRWJLKSA-N	414.889	5.080	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1	408819325	QAVHCIDTAXWZEM-MPMPPSQCSA-N	420.852	5.083	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c(C)c1	409187414	QCYAFSUPAAMYNV-UUYOSTAYSA-N	405.483	5.080	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C	409192238	ADMASPGTIKXJFL-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1OC	409375519	LYNMIIVRCDPJOU-KHAFMBKQSA-N	409.835	6.609	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)c(OC)c3)n2)cc1	1300197	DBBQFDMFLISQJY-DTQAZKPQSA-N	407.495	5.203	50	40	HKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)Nc1cc(Cl)nc(Cl)c1	2555940	KDRFMIYUULLFPR-UHFFFAOYSA-N	400.480	5.497	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)c1C	59201484	JKVRMYRIYKTSOQ-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
N#C/C(=C/c1ccccc1I)c1ccc(Br)cc1	408527014	DRIBCWVMHNFTNW-LCYFTJDESA-N	410.052	5.118	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1nc2ccc(F)cc2[nH]1	408570177	SLZUVJCGICZKGJ-HMAPJEAMSA-N	419.459	6.498	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)o1	408598835	KFFHASSIKJFINK-RVDMUPIBSA-N	418.434	5.396	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408802285	YUYZVVUEOUOLMZ-ZZJMULQMSA-N	424.544	6.021	50	40	HKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1ccc(Br)cc1	3174524	XVHRXVZYJLPOMA-PXLXIMEGSA-N	403.320	5.172	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)c(C)c2)cs1	4135150	FAPURXVCPFCZCS-QGOAFFKASA-N	403.507	5.580	50	40	HKGB	
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(O)cc2)cc1	14978643	OIUCUUXSMIJSEB-QPLCGJKRSA-N	421.968	5.921	50	40	HKGB	in-vitro
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1	18199547	NXHHOMIWIACDKR-OAQYLSRUSA-N	412.876	5.442	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3C)c2C)c(C)c1	58926579	KVYDNCSJCCSXIC-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccc4ccccc4c3)cc2)cc1	408550483	HEZJEQGEVYBOQA-XYGWBWBKSA-N	418.496	6.230	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1Cl	408587406	FRNRCWNJFJJQBB-JVWAILMASA-N	421.972	5.738	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc2ccccc2c1	408804130	WEUJEZKZSWMNDQ-QKXYBXRVSA-N	411.549	5.849	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4o3)cc2)c1	409043444	QUJDJBRZNZFJJN-XMHGGMMESA-N	409.445	5.218	50	40	HKGB	
CCOc1ccc(Cl)cc1/C=N\NC(=O)c1cc2cc(Br)ccc2o1	409103909	HPYGYIKNCXZWCM-FBHDLOMBSA-N	421.678	5.011	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)o2)cc1	4524100	ZZFMYALYZVLBGW-WYMPLXKRSA-N	404.413	5.522	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc1	4922840	IDUHODGYGLNJPK-OAQYLSRUSA-N	403.551	5.031	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc2ccccc12	8860870	HRASMOIWOFXXFK-ZVHZXABRSA-N	419.278	5.626	50	40	HKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1	100860116	LDQIHZLMDJNPJB-SFQUDFHCSA-N	413.458	5.096	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1cccc2ccccc12	100927744	XCZWQNNQAVICRE-DHRITJCHSA-N	414.292	5.281	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1	408763234	RTVADAFFOALRFG-XDHOZWIPSA-N	418.880	5.473	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408787502	BADDDRHULCONGV-NTUHNPAUSA-N	405.668	5.204	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1C	4808280	MUVGVNQECGRPIN-XNTDXEJSSA-N	400.334	6.710	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	9190497	BRYGQNPWVOJJCU-XTFCHBONSA-N	410.517	6.036	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccc(F)cc1	34718378	GVRZNAZDLQGGDJ-UNOMPAQXSA-N	413.452	5.662	50	40	HKGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	67192604	MFHKHRGQJQYPTL-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c1	223556064	LIIQWUNSDDNPOI-ZWAQGKOVSA-N	415.581	6.350	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccccc1Cl	408769142	OVDWGMWMMWFFPI-PXNMLYILSA-N	419.308	5.013	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1	409359330	BLGDJZQPOBEBFP-CEUNXORHSA-N	422.528	5.674	50	40	HKGB	
O=C(Nc1ccc(Cl)cc1)OC[C@H](CCl)OC(=O)Nc1ccc(Cl)cc1	2171546	WENULKCMFDBEDE-HNNXBMFYSA-N	417.676	5.398	50	40	HKGB	
O=C(N/N=C/C=C/c1ccccc1)c1cc(-c2cccc(OCc3ccccc3)c2)n[nH]1	9374592	AUWWOUKHDNVDEL-JLOKSVCBSA-N	422.488	5.085	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccccc4C#N)c4ccccc34)[nH]c2c1	50574886	NHPOXYBTVNBNQO-BKUYFWCQSA-N	413.484	5.810	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2ccc(C)cc2)o1	107760376	JUVPDQBXUMJIFB-MFKUBSTISA-N	416.502	5.665	50	40	HKGB	
CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)/C(=C/CBr)CC[C@H]4[C@@H]3CC[C@@H]2C1	118931562	NLDPKKXGYUXOJP-PZKRHXESSA-N	423.435	6.282	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208438224	DLURTBMRMINJCP-WYMPLXKRSA-N	402.325	5.389	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2cc(C)cc(C)c2)c1	408892409	ZGIUONPCXPMWLL-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	408995119	JDUMLGBUBMFKAX-ZMOGYAJESA-N	400.309	5.094	50	40	HKGB	
C=CCn1c(C)c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21	1011388	WMDXNHGGMSKSGZ-JVWAILMASA-N	407.473	5.799	50	40	HKGB	
N#CC1=C(N)C(C#N)(C#N)[C@@H](c2ccc(Cl)cc2)[C@@H]2C[C@H](c3ccccc3)CC=C12	4870660	JMYWIVNKCJWOBR-AAIMPIBUSA-N	410.908	5.327	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2)cc1	59117059	OKSWXTBDJVVXPL-UDWIEESQSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	59249293	XSNZOOMGTITSLS-RAXLEYEMSA-N	416.695	5.983	50	40	HKGB	
CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	100703076	YYVMJDBIIRQIEX-QFIPXVFZSA-N	402.519	5.898	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C)[C@H](C)CC(C)(C)N2C	260569928	SYEADQRMSMKGAV-UZQMFHLOSA-N	401.554	5.880	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)cc1	408872104	KMFSQXPIYALCMT-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1	408900863	YFLBQIFKUIPGNE-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)c(OC(C)C)c1	409260456	QMWCPHYEKLTKBJ-WGOQTCKBSA-N	404.510	5.107	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1cccc(F)c1	409389521	BUKJGHYNNJFFEL-JCMHNJIXSA-N	423.443	6.320	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1	2730444	QNAKYIAUTSHAGZ-SDNWHVSQSA-N	410.882	5.638	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1	4922823	WVCPPNKMMOURLN-NRFANRHFSA-N	403.551	5.085	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c(C)c1C	59473773	SDKWATBDSVFSJZ-CVKSISIWSA-N	402.563	5.809	50	40	HKGB	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	103016753	KAPMAMPWUSMXAY-FCDQGJHFSA-N	412.533	6.735	50	40	HKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(\C#N)c2ccc(C)cc2)cc1	209491678	SRWCMOXMYVWLJQ-LPYMAVHISA-N	418.334	6.709	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccc(C(C)(C)C)cc1	408811460	RCWKMLQDXVKSCD-BFEJPRPCSA-N	417.597	5.994	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1Br	408820520	WRWNOBQQVDHVFU-GHXNOFRVSA-N	423.669	5.186	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	408869797	QXBLASBNDJMSMW-LDADJPATSA-N	423.299	5.835	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)cc1	408933504	ALJNQNPEIPOXJA-STZFKDTASA-N	416.908	6.027	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1cccc(Cl)c1	1082771	UOCBYLOFCFMBSW-XYOKQWHBSA-N	417.679	6.452	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	6678238	WFNANOIKUTWHFC-LTKMBJGESA-N	412.917	5.688	50	40	HKGB	
Oc1ccc(-c2csc(N/N=C/c3cccc(N(CCl)CCl)c3)n2)cc1	6923092	BWXNDAVMODYPHX-ZVBGSRNCSA-N	407.326	5.161	50	40	HKGB	
Cn1c(/C=C(\C#N)c2nc3ccccc3s2)ccc1-c1cccc(C(F)(F)F)c1	11690321	SBPUVKXUSIEAMN-NTCAYCPXSA-N	409.436	6.385	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)ccc1OCc1ccccc1	59419214	GHOMJQOPFBJHRL-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1OC	110050543	IQGCELWCSBGBLE-UQQQWYQISA-N	416.949	5.852	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208265655	HSIMFVSIQQEBCB-ARCFYCQJSA-N	414.937	5.226	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2C(C)=CC1(C)C	208517431	DGZOBXKDFHUKJC-UNOMPAQXSA-N	403.501	5.702	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408793594	FMIFCWHYGZGWKN-GXDHUFHOSA-N	417.690	5.213	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408804036	CHLDQAHWIICVEE-IYKRSIQTSA-N	403.309	5.855	50	40	HKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1Cl	408965963	YBEBWOMXXRRDQH-NUGSKGIGSA-N	405.203	5.175	50	40	HKGB	
CCCOc1ccc(/C=N\NC(=O)c2ccc(OCCC)c(OCC)c2)cc1Cl	409325319	XXAGTHRIJBCKMF-IWIPYMOSSA-N	418.921	5.080	50	40	HKGB	
COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OC)cc2)cc1	3885207	JBNLLEISOAYPQS-NVSCQINXSA-N	424.928	5.066	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccccc1Br	4740721	SETBQILTCGALHJ-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3)c2C)cc1C	4894798	KQKUPUDNKFGMOM-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
N#C/C(=C\c1cc2c(cc1Cl)OCO2)c1nc(-c2ccccc2Cl)cs1	6343836	VUBRHIDKHDDNDP-LFYBBSHMSA-N	401.274	5.910	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cccn3-c3ccc(Br)cc3)nc2c1	107691390	FACHFPKJOVCEFU-QINSGFPZSA-N	403.283	5.489	50	40	HKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@H](Br)[C@H]1Br)S2	227219288	WLRYZLICTXBSLV-QMKXCQHVSA-N	422.279	5.405	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	408540125	NJNVPASKJOQQNE-LTGZKZEYSA-N	406.526	5.899	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	408875190	GYKZSVIRIXFTOC-NTUHNPAUSA-N	424.806	5.312	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	1195141	MUKZEDOIKXMETP-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
CCOC(=O)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	4526016	NMLSFEOSEBEDJF-SSDVNMTOSA-N	411.285	5.051	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C#N	4535411	QFINGYVALJYIBV-UDWIEESQSA-N	406.445	5.086	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(Cl)c3)n2)cc1	8400482	NQOGPJWOIPCVOA-KAMYIIQDSA-N	416.333	6.492	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cccc(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1	32109299	HDFVMQHFJHQEJY-ZRGSRPPYSA-N	419.834	5.530	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C)c1	33347200	JCCVSMXQTJUEEN-BKUYFWCQSA-N	400.434	5.555	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc2ccccc2c1	408548386	HKNUGQPNBJMCFU-OYKKKHCWSA-N	406.441	6.391	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)Sc1nc2ccccc2[nH]1	408598627	GKSPSKBIAHZOKZ-DEDYPNTBSA-N	417.921	6.452	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1cccc(C(F)(F)F)c1)Nc1ccccc1Cl	408931363	KPSCTUBMLQFKIF-MSXFZWOLSA-N	406.795	5.305	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCO2	409362410	JJQOEWCGHKOJDR-LSCVHKIXSA-N	424.283	6.365	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	650242	KJGVXWAERSQFJO-DHRITJCHSA-N	400.404	5.269	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1	3885201	JPYQTIYPHKOIPB-RILPJZFCSA-N	400.856	5.327	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	4813966	IGAYQSVEYSOTPQ-OOHHOYHOSA-N	410.901	5.643	50	40	HKGB	
Cc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCl)cc1	9482833	PWDPBEYHKPWYLE-HSZRJFAPSA-N	408.929	5.377	50	40	HKGB	
N#C/C(=C\c1ccccc1/C=C(\C#N)c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2	12375268	OPNXZMSDSKWGIG-VGENTYGXSA-N	420.424	5.272	50	40	HKGB	
CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(OCCCC)cc2)cc1	97997048	XZYCLCJPBQQFNM-UHFFFAOYSA-N	410.558	5.453	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c3ccccc23)cc1Cl	408735424	RSZPNEXXEPYVQN-XDHOZWIPSA-N	418.924	6.382	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408819874	YOBQNFASPCDHQN-UUVHRRBISA-N	403.309	5.855	50	40	HKGB	
C=CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408935065	GHJZWDGAOZBXOD-JWGURIENSA-N	410.473	5.376	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	409193721	LPNKHWAAKCOESH-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1	409246375	HKUBXWBSIOIREQ-CYVLTUHYSA-N	400.503	5.701	50	40	HKGB	
O=C(c1ccc(Cl)s1)[C@@H](Cl)[C@H](Cl)c1ccc(Br)s1	1685378	VOZIGMOIWKPGSM-ZJUUUORDSA-N	404.565	5.996	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	6205995	JOQDMWXZOWRAJV-RCCKNPSSSA-N	411.505	6.901	50	40	HKGB	
CCOC(=O)/C(C#N)=C1\Oc2ccc3ccccc3c2C=C1c1nc2ccccc2s1	16682025	YWIBIHHFOGYYKR-NMWGTECJSA-N	424.481	5.723	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc(Cl)ccc1Cl	59117355	VIJBWIUFQSPAFA-LCYFTJDESA-N	417.679	6.452	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408568493	JUJMWWJXDWHJCI-BOPFTXTBSA-N	410.427	5.908	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1Cl	408588300	VMMFUWIGBUNOPZ-YVLHZVERSA-N	401.724	7.119	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	408743927	CMXVWGAYZNQDJK-UYRXBGFRSA-N	419.912	5.610	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	408797735	SOEDPPQVWURDEW-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408808321	FOKMATDILMQSOK-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)cc2)cc1	408871321	YJANPHZGDMSEHU-LTGZKZEYSA-N	400.453	5.361	50	40	HKGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)c(C)c1	409241587	OTKFFUSTGXRHPH-QEMKNDADSA-N	411.549	5.804	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(OC(C)C)c1	409266239	PZNRHDGTWOXVNX-WGOQTCKBSA-N	410.558	5.251	50	40	HKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OCC)c1O	659612	NQZYTNAHKBANKW-CVKSISIWSA-N	414.461	5.183	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4nc3C)c2C)c(C)c1	4091517	OSNTXUAGOLVGMN-JFLMPSFJSA-N	410.521	5.332	50	40	HKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccccc1	8471164	FAAYUPUOVJOZCR-PZJWPPBQSA-N	409.279	5.231	50	40	HKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)c2C)cc1	9263431	ARKIMOSVBSSZJC-KGENOOAVSA-N	424.504	5.520	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[C@H](C)CC1(C)C	260567605	MAZLKFQCUALEKS-HPKGMJOESA-N	421.972	6.386	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccccc2)cc1	408579167	CYWFYLPZXWTQNJ-CPNJWEJPSA-N	409.894	5.480	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)cc1OC	408583047	RIOZLEWKVKJNCN-LFVJCYFKSA-N	421.496	6.500	50	40	HKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)c1	408742716	BUVIUHPSPOYDFQ-WJDWOHSUSA-N	420.852	5.241	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)o1)C(=O)Nc1ccccc1F	408858072	JBYLCGJYJVGEBF-ACCUITESSA-N	421.478	5.725	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	1189249	SGJNFJAXLBPXPH-GXDHUFHOSA-N	413.260	5.808	50	40	HKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccccc1O	4827623	BGAMFRULFSWWSJ-RVTFTXCGSA-N	410.433	5.430	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc2ccccc2s1	5234335	SLNYHAJRPJXLCE-SDNWHVSQSA-N	407.292	6.383	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	6358340	QMCJKWZRKINWFZ-PACYTGELSA-N	412.917	5.688	50	40	HKGB	
CC(C)Oc1ccccc1[C@H]1[C@@H]2C[C@@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	19852905	GEUHUDVJUZWHCY-WGGBDISSSA-N	414.553	5.340	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1	59224867	HBFQLAYMWGBYNC-RCCKNPSSSA-N	423.491	5.937	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1cccs1	59416285	UCLDEBQAVLLOPP-SSDVNMTOSA-N	418.305	5.071	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OC)cc2)cc1	98001600	KDTXZOXZNDYRQH-LHLOQNFPSA-N	410.558	5.979	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\CCc1ccccc1	104166617	APIYRXONKNRGFP-FVDSYPCUSA-N	414.678	7.983	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2cccc(C#N)c2)cc1Br	408568834	WZHPTFPWZMARFN-UUASQNMZSA-N	402.089	5.456	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c(C)c1	408790185	UUGXDAMTWRZOGH-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)cc1	408869126	QWCDGHJXGFHMBS-UDWIEESQSA-N	421.327	6.438	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408891007	JVQQAYFHDLTIJP-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1	409366543	VXDDTDOZAFNMEY-QQXSKIMKSA-N	406.913	5.174	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(Cl)c1	409370866	UYBBGFMHWMUNOV-MOSHPQCFSA-N	405.885	5.015	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1CCC(C)C	3389943	LMEQINCBFGJFMR-LICLKQGHSA-N	418.946	5.199	50	40	HKGB	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	5377484	XVBLKXKJUOMOSZ-GBDQZVKWSA-N	422.956	5.688	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1	8780690	JRKFNJFQMNXYSO-WYMPLXKRSA-N	424.759	5.009	50	40	HKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)c(C)c1	9693541	IXAKCYZEQNIIQJ-GOSISDBHSA-N	423.969	5.485	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	12649644	XFJRCCWENRWRRC-RVDMUPIBSA-N	421.850	5.751	50	40	HKGB	
CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N\NC(=O)C[n+]1ccccc1	17109911	XAJVVISEJATXSF-FDWDURPWSA-O	419.376	5.437	50	40	HKGB	
O=C(CP(=O)(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1	97951085	ZUYOFKSTZMSRAQ-UHFFFAOYSA-N	411.441	5.365	50	40	HKGB	
CCCCc1c(C)nc(N/N=C\c2ccc(N(CCCl)CCCl)cc2)nc1C	104264152	MRHWOQLXUFKWFV-IWIPYMOSSA-N	422.404	5.166	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	208464704	QLVXWICDMBKIAN-DHRITJCHSA-N	411.933	5.053	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)c(Cl)c1	408587653	SWOLQLAIGRRBOC-XDHOZWIPSA-N	403.312	7.061	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408798772	WYQAROFQTHNNKA-LDADJPATSA-N	404.853	5.170	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1cccc(F)c1	408875569	KDIOXWGKIMJXIQ-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1ccccc1F	408885440	ZZBOGFPOXOXIJW-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
Cl[C@H](Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1)C(Cl)(Cl)Cl	1825659	ASWKZGGZMAXNAM-CQSZACIVSA-O	420.172	5.434	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	8381644	QIKJTJKVTNEIBN-OEAKJJBVSA-N	401.447	5.240	50	40	HKGB	
CCCCCCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CCC	97956231	UZWCYUXWAOWOCL-UHFFFAOYSA-N	408.711	9.167	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408579051	CPJJAFBYHVBETA-UDWIEESQSA-N	404.853	6.200	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccc(Cl)cc1	408581429	WNIMDOYAILRHCI-YBFXNURJSA-N	424.283	6.335	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)c1	408816376	YKROETOKZCVQFG-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409023067	CNQRGHOKJUNLQV-QINSGFPZSA-N	410.951	6.407	50	40	HKGB	
N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1cccc(Cl)c1Cl	1106107	NCJYCVZVSIOFET-SOFGYWHQSA-N	402.100	5.363	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1nc2ccccc2[nH]1	27017181	UFGJYIBOHRMBJA-JXAWBTAJSA-N	421.891	6.133	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)cc2)cc1	59254908	JOKALQWNQYHAJD-CJLVFECKSA-N	412.489	5.518	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccc(C)cc2)cc1	107799473	PYEYYBUFJRLVDT-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc2ccccc2c1	408747736	SFBQMQKMPLJGEV-MYYYXRDXSA-N	405.501	5.471	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)cc1	408802618	ZLAUAMQOUBINEA-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408808846	GOCQSXQQYCYRSV-NTUHNPAUSA-N	409.700	5.980	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)c(OCc2ccc(Cl)cc2)c(C)c1	408853517	PACJMNTWENAXCZ-VULFUBBASA-N	422.912	5.308	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)Cc1cccc(C(F)(F)F)c1	409013094	SPSQOHXWXVEKJB-DICXZTSXSA-N	414.427	5.340	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(C#N)cc1	409368342	YTAIGDKZLCDKJW-MTJSOVHGSA-N	415.290	5.964	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1	409378951	STGBBVFAJNIZEI-BUVRLJJBSA-N	421.500	5.514	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(O)cc2)nc2ccccc12)c1c[nH]c2ccccc12	13322306	LSFJEAISMWKEFA-MUFRIFMGSA-N	420.472	5.243	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1cc(-c2ccccc2)nc2ccccc12	35124060	GARLVLGFICSRJQ-WGARJPEWSA-N	420.299	5.973	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NC1CCCCC1	59433018	BGQLVLLCOOVURD-HAVVHWLPSA-N	410.517	5.775	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1ccc(C(=O)O)cc1	209485312	OIUNGIRSTNCQKF-OEAKJJBVSA-N	413.473	5.735	50	40	HKGB	
N#C[C@@H]1[C@H](C(=O)c2ccccc2)c2ccccc2[C@@H](Br)[C@@H]1Br	223812439	OUUVCVLNYJJKPE-QBPKDAKJSA-N	419.116	5.006	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCC	408537065	CAYYGYRNVZFNBK-RELWKKBWSA-N	420.553	6.370	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1	408873000	QQQGIFDFGOEWAV-LTGZKZEYSA-N	400.453	5.361	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1[N+](=O)[O-]	408985707	XWTYPRHRYPNXKI-YBEGLDIGSA-N	421.840	5.671	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)c1	409359238	AOFVEGDXCFQCTG-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1c2ccccc2cc2ccccc12	1282641	UYJZOORFUQBWDW-HSZRJFAPSA-N	404.494	6.426	50	40	HKGB	
O=C1c2ccccc2SC[C@@]1(Br)[C@@H](Br)c1ccccc1	3138106	IHBUJLFYGZHNCO-GOEBONIOSA-N	412.146	5.245	50	40	HKGB	
CC1=C(C#N)C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)C(C#N)=C(C)N1	23934804	NOSGKGNCCDUQKA-UHFFFAOYSA-N	402.501	6.438	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)C(=O)NN=C1CCCCCCCCCCC1	59516318	DGIGECYKXXICQM-UHFFFAOYSA-N	407.942	5.064	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)c1	96476386	LUXDVMLQBQSXNZ-HAHDFKILSA-N	405.501	5.221	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1	408601991	MTDRJFDFXDHHDF-WGARJPEWSA-N	406.844	5.585	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1Cl	408735390	RELMAPKXUCLYLO-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2c1	408770991	BTTZVGLDDDUPEP-ZHZULCJRSA-N	414.505	5.800	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408813241	MOQXVXBFSZDIGE-CJLVFECKSA-N	412.489	5.598	50	40	HKGB	
CCCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccccc1	409043682	TUNLJBMNGYFSRI-OQLLNIDSSA-N	421.132	6.065	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)o1	409045405	PLXRPKCQVQGVQN-FOKLQQMPSA-N	403.265	5.238	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)c3ccc(C)c(Cl)c3)c2c1	409051247	AXDHSBPEZPZUHM-AFUMVMLFSA-N	410.901	5.363	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NCc1cccs1	409207177	QAQYABMIRCQVNI-LDADJPATSA-N	415.493	5.114	50	40	HKGB	
BrC1C2(SCCS2)[C@H]2C[C@H](c3ccccc32)C12SCCS2	1650616	FRLOUEROUMPIGM-PBWFPOADSA-N	417.484	5.387	50	40	HKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	2236731	FNEHTPNZCSMHNJ-OPEKNORGSA-N	422.790	5.148	50	40	HKGB	
O=C(CSc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	8874933	ZCERTHOXFBCVDE-AFUMVMLFSA-N	420.921	5.996	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)c(Br)c1)c1ccccc1	12363389	WQVBKJCPLOHBMO-MTJSOVHGSA-N	415.290	5.964	50	40	HKGB	
Cc1c(/C=N/NC(=O)Cc2ccccc2)c2ccccc2n1Cc1ccccc1Cl	14134887	ZGLHZKFRUPGNKI-JVWAILMASA-N	415.924	5.344	50	40	HKGB	
N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccccc1OC(F)F)C(=O)c1ccccc1	33623945	CHHJXBNPJWNLJY-KGENOOAVSA-N	415.399	5.199	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1	59367787	NHJDLRCPTANOTR-LFVJCYFKSA-N	423.310	5.182	50	40	HKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1cccc(N/N=C/C(C)=C/c2ccccc2)c1	89262219	IQXZOLJDXKQCCT-KZGFBIODSA-N	422.532	6.007	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cccc(OCCOc2ccc(C3CCCCC3)cc2)c1	95483526	ZRFSVQZUUUSFQH-HAVVHWLPSA-N	419.521	5.662	50	40	HKGB	
N#C/C(=C\c1c[nH]nc1-c1ccc2c(c1)OCCO2)c1nc(-c2ccccc2)cs1	96133905	SWULIMJDUIJOBA-LICLKQGHSA-N	412.474	5.036	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1	408760621	BWYYGBOCAZDFBU-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c1C	408793351	DXMRHGSXZLWHNJ-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(OC)c1	408871747	WZJNNZIHBHBQQP-HYARGMPZSA-N	414.480	5.533	50	40	HKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1	408969871	VZWAQKYVEMUULD-FMCGGJTJSA-N	420.365	5.818	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)c1nc2ccccc2o1	409049649	XODHJPDPRKNGBM-LICLKQGHSA-N	421.283	6.778	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1F)C(=O)NCCCc1ccccc1	409244533	FBXDNBMFXVOIFS-QJOMJCCJSA-N	414.480	5.061	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)[nH]c2c1	409392042	NILIRSWPUJOYDD-SXGWCWSVSA-N	420.875	5.836	50	40	HKGB	
N#CC1=C(c2ccccc2)NN(Cc2ccccc2)[C@@H](c2ccc(Cl)cc2)CC1=O	1620230	BFAAWCBZYPUSGJ-HSZRJFAPSA-N	413.908	5.296	50	40	HKGB	
C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1O	4548073	AGPBEUZIPKTZMM-ZGUVFNMESA-N	417.292	5.160	50	40	HKGB	
N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2ccc(Br)cc2)cs1	4833873	APRMPDPDTIJMPH-JLHYYAGUSA-N	400.276	5.688	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)c1nc2ccccc2s1	4962186	QWDDVEZTQUZLFC-LDADJPATSA-N	402.906	6.593	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccccc2Cl)sc2c1CCCC2	5791020	YTSFZNUTEKJCLU-KAMYIIQDSA-N	414.914	5.003	50	40	HKGB	
N#C/C(=C\N=C(/S)Nc1cc(Cl)ccc1Cl)c1nc2ccccc2s1	8665293	GAJZVLGNAVFYIS-MDZDMXLPSA-N	405.335	5.865	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccccc1Cl	28215800	YHAVOQZRBLDWAI-ZMOGYAJESA-N	411.958	5.131	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)c1C	59201453	DTKHKYFMHPUPJZ-BKUYFWCQSA-N	400.453	5.567	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	59334755	SGLLQAOSXPQGAJ-WQRHYEAKSA-N	415.320	5.296	50	40	HKGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473269	IZEQMTTYADXZCX-ZMOGYAJESA-N	415.345	6.050	50	40	HKGB	
CCCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	103528503	XMPYPMDIVWDWQD-MRXNPFEDSA-N	420.341	7.834	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208193613	CUANDQWPUZAUKW-LTKMBJGESA-N	407.945	5.916	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)cc2[C@@H](C)CC1(C)C	223529653	BGPMDHDWMOXOGO-WBILBPDKSA-N	419.525	5.317	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3cccc(F)c3)ccc3ccccc23)cc1	408580432	BUIXEBWYCFSKMP-CJLVFECKSA-N	409.460	6.631	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl	408726515	SGUWYQLMUXEUIA-MOSHPQCFSA-N	424.327	7.035	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3C#N)cc2)cc1	408745587	SZEIPKREXUUCOB-JCMHNJIXSA-N	423.472	5.082	50	40	HKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)NCc1ccccc1	409243181	ZPTLGXNKBDRZTL-OEAKJJBVSA-N	409.464	5.052	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	1509022	BPFCDGAQRKEVSN-UVTDQMKNSA-N	416.786	6.164	50	40	HKGB	
O=C1C(=C2CCCC2)CC/C1=C1/SS/C(=C2/CCC(=C3CCCC3)C2=O)S1	1565526	SYNOZXWMRTWNAH-SVJWQLCWSA-N	416.633	7.005	50	40	HKGB	
CCc1ccccc1NC(=O)[C@H](Br)[C@@H](Br)c1ccccc1	1801171	HHRGOUXDRDTFTC-JKSUJKDBSA-N	411.137	5.087	50	40	HKGB	
Cc1ccccc1[C@@H]1C=C(c2ccccc2)OC(c2ccccc2)=C1C=C(C#N)C#N	2054383	BAXNDMXKMBBDTQ-VWLOTQADSA-N	400.481	6.535	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2ccccc2Br)cc1	20760586	ZEEKEEMGZYXVAQ-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	39884587	YTALKICGLNNFKG-SDNWHVSQSA-N	407.813	5.362	50	40	HKGB	
CCc1cccc2c(/C=C(/C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)c[nH]c12	48288644	ABNKLKOADSBWHH-NVNXTCNLSA-N	405.306	5.375	50	40	HKGB	
CC(C)[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc2c(c1)OCCCO2	58265185	HYKXCPDLIFSBJL-DYESRHJHSA-N	409.617	5.375	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)o2)c1	59137888	LCCULAXAIPQRNC-LGMDPLHJSA-N	404.491	5.684	50	40	HKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(-c2ccccc2F)on1	65593835	PKGMZSJZVFMIMQ-UHFFFAOYSA-N	400.624	5.198	50	40	HKGB	
O=[P@@](Oc1cccc2ccccc12)(c1ccccc1)c1nc2ccccc2s1	101914567	RPYHHZBQZKFYNP-HHHXNRCGSA-N	401.427	5.757	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OCC	408543975	REKKGFZRWVFTKI-SXGWCWSVSA-N	416.271	5.009	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc2ncccc2c1	408569244	MMJLMZHQIUUAOS-ODLFYWEKSA-N	407.452	5.722	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1	408876513	POGZXDDUNXRFKV-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2c(c1)OCO2	409360765	FTOMOTTWHVJQBB-ODLFYWEKSA-N	412.876	6.136	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)S(=O)(=O)c1ccccc1	948043	AEHWOPKKORPAAD-KGENOOAVSA-N	409.894	5.257	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3081819	NPCIYNIAFINPPA-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccc(C)cc1	4907700	OLJNVLCISYUXIF-GZTJUZNOSA-N	404.451	5.049	50	40	HKGB	
CC[C@@H](C)n1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21	35108795	BDPIJNIPVRQQJM-CHOFVFFHSA-N	420.494	5.499	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1F	59117164	FDXCURAPXZASMF-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1	408735107	OABXVXBNVGRQHF-CPNJWEJPSA-N	419.912	5.692	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccccc1	408798415	DYPWFBLOFCKKNE-JLKRHBFDSA-N	418.537	5.266	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408885422	ZQCYXLDJQJQZOR-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2cccc(F)c2)c1	408892421	ZHMZXOQKTHIUAS-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc2ncccc2c1	408965180	HDUAVNQKDQOFGN-WGARJPEWSA-N	417.900	5.451	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c(C)c1	408968515	ZYNUYMDUXCWALF-UCQKPKSFSA-N	420.516	5.805	50	40	HKGB	
O=C(Nc1cccc(Cl)c1)[C@@H](Br)[C@H](Br)c1ccccc1	1739475	PVVQMBDHWZJODW-KGLIPLIRSA-N	417.528	5.178	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(Br)o2)cc(C(C)(C)C)c1O	2110628	VWODWUDBJHNYRU-SSDVNMTOSA-N	421.335	5.107	50	40	HKGB	
COc1ccc(OC)c(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)c1	33711064	KWWRWKRIYKNUQH-QGOAFFKASA-N	411.461	5.223	50	40	HKGB	
CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C\C(C)=C/c1ccc(C(C)C)cc1	39253076	WHLZZYNTMGIASO-VGJUWRDZSA-N	420.582	5.763	50	40	HKGB	
CCCCCCCC(=O)N(NC(=O)C(O)(CCCC)CCCC)c1ccccc1	97951077	JVZREWFGUWJVCT-UHFFFAOYSA-N	404.595	5.523	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223562922	IVYGHHSTEDNNKP-WZJLVRHISA-N	408.546	5.351	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1nc2ccc(F)cc2[nH]1	408567429	DTKXOYZJLFUVQM-RAXLEYEMSA-N	407.246	5.319	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)o1	408719134	JRFVXMISMJMBTM-MHWRWJLKSA-N	408.288	6.357	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3cccc4ccccc34)c1)C2	408734321	UMIKIRYBCFWNTG-MUFRIFMGSA-N	419.528	5.741	50	40	HKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1cccc(Cl)c1	408753301	GEKHBMDYEUTFBZ-CPNJWEJPSA-N	411.892	5.998	50	40	HKGB	
CNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C	408772401	LIRMJCYEZPQNNB-FMCGGJTJSA-N	413.565	5.215	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccccc1	408801614	WIROMYTUFOQFQA-SNNDCMPQSA-N	411.549	5.600	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408802983	JYBAJCXWDNAJKV-FYJGNVAPSA-N	417.940	6.218	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1	409187573	RZZWWPMTFFTDMI-NHDPSOOVSA-N	406.294	5.893	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)c1nc(-c2cccc3ccccc23)cs1	4292674	SPKZTVQKMAFYSM-MHWRWJLKSA-N	407.325	7.334	50	40	HKGB	
COc1cccc(/C=C/C(C)=N/NC(=O)c2ccc(OCc3ccccc3)cc2)c1	5222508	UPPREUYSUBLNGI-QTMWFHQYSA-N	400.478	5.093	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	17126226	BXYCIYKODOSCPC-HAHDFKILSA-N	413.473	5.315	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc1	100028166	PLFFEEOOAVPZSB-KOEQRZSOSA-N	416.949	5.608	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)o1	408676450	IVZSRCLTWZWJCS-MFKUBSTISA-N	407.901	5.273	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccccc3C)cc2)cc1	408864202	XIVSPZIEVNKEBA-CVKSISIWSA-N	418.562	5.266	50	40	HKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	409109023	ZQBQGCQXJLIIIU-JYRVWZFOSA-N	405.679	5.047	50	40	HKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(OCc2ccc(F)cc2)cc1	2345613	BSOCXOADRZOPMF-JFLMPSFJSA-N	414.436	5.027	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	106369550	CGOKHNARPNIZPT-JAIQZWGSSA-N	418.290	5.687	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(OC)c(Cl)c3)o2)cc1	252481080	CHOBAVVCTWRHEH-SFQUDFHCSA-N	406.869	5.717	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OC	408539090	FIFWTNTZGXMJRN-HAVVHWLPSA-N	420.553	5.658	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	408568443	ULOXTSBFJZJICB-NHDPSOOVSA-N	400.865	5.863	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2)c1	408578998	CHKCDNUUIDQZSL-XSFVSMFZSA-N	402.881	5.730	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1	408793668	FWKYGMQSYSLALJ-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)cc1	408853540	PFJHFGIUZCWMPY-ONUIUJJFSA-N	424.460	5.125	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1	408859018	VJBYVINLLVFTBQ-AFUMVMLFSA-N	407.901	5.691	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(F)cc1	408940177	UNJBIJVOZGEFER-JCMHNJIXSA-N	422.459	6.104	50	40	HKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(-c2ccccc2)cc1	6200148	QXWHZMXUUHFFDO-WPWMEQJKSA-N	410.473	5.045	50	40	HKGB	
COc1cc(C=C(C#N)C#N)c(Br)cc1OCc1cccc2ccccc12	9234926	KVCSYKOPGAKZBW-UHFFFAOYSA-N	419.278	5.620	50	40	HKGB	
N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	13765530	KZZQSHYQESRHAY-FMIVXFBMSA-N	406.725	6.747	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	33666462	KVGCNSDXCFDORG-JLPGSUDCSA-N	406.441	6.391	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	87492633	OTVRYZXVVMZHHW-VEIPTCAHSA-N	405.110	8.635	50	40	HKGB	
CCCCCCCCCCCCCCCCCCCC/C=C\[C@H]1CC(=O)OC1=O	100019657	WYSMQSIDRZXTBU-MEXPUSLVSA-N	406.651	8.064	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	209401526	HHDOTBXRZBXQEX-KGENOOAVSA-N	404.307	6.401	50	40	HKGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(C(C)C)cc4)cc3C2)cc1	408734342	XOBDRBHCITWJSP-DICXZTSXSA-N	413.521	5.103	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1cccc(Cl)c1	408844844	DDHJUFWKNKEMBI-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1C	408965126	GIIIJGHCSCMGKI-YUMHPJSZSA-N	416.569	6.164	50	40	HKGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	1299424	VBLMYMTZOOEHHP-XYOKQWHBSA-N	416.289	5.822	50	40	HKGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4853357	YMSOUEQHJKFLCK-BKUYFWCQSA-N	409.470	6.449	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)c1cccs1	5416125	JFTVVSJJWYKYKS-PCLIKHOPSA-N	417.559	5.743	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nnc2n1CCCCC2	5445626	PJUJDOKQPQLDMC-NTCAYCPXSA-N	409.287	5.091	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C	6968781	VNJLMTJRZPSBIP-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1	20763750	XGGKWNYPQRZEHG-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1	59473297	REORSOVLRSEDOT-ZXVVBBHZSA-N	416.590	6.430	50	40	HKGB	
N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@H]1c1ccc(Cl)cc1	104141888	FWEMQFVAXWMNHL-NRFANRHFSA-N	406.938	6.543	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1	209482791	GNCYKLDWBFZFDQ-RGVLZGJSSA-N	424.327	6.954	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)Sc1nc2ccccc2[nH]1	408598956	LYWAPMYOFLLIFS-CPNJWEJPSA-N	417.921	6.452	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c1	408798132	USFMNNVJDVZMMJ-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1Cl	408802036	YFBYTTFEPXOSGK-ZFJBLLOBSA-N	417.940	5.840	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	408995013	KOOKPDUPOFXCIC-CFRMEGHHSA-N	400.309	5.094	50	40	HKGB	
Cc1ccc2c(c1)c(/C=N/NC(=O)CSc1cccc3ccccc13)c(C)n2C	409037959	NYBSFUBPCOTIAB-AFUMVMLFSA-N	401.535	5.191	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)c1	409362437	JNMAVSJBICLWKC-MIXAMLLLSA-N	422.528	5.728	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3SC(F)(F)F)n2)cc1	1835739	HRIZKCFIAGZVKH-RVDMUPIBSA-N	417.481	6.707	50	40	HKGB	
C=CCN1C(c2ccc(C)c(C)c2)=CS/C1=C(/C#N)c1nnc2n1CCCCC2	4979974	NBSAWCPFYFSPJB-NMWGTECJSA-N	403.555	5.047	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OCc3ccc(C)cc3)n[nH]2)cc1	9014896	PSPIBRHQUIJDLQ-JVWAILMASA-N	424.504	5.036	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OC(C)C)c(OCC)c2)cc1	20198025	KTEMRVRFUSSIEZ-ZVHZXABRSA-N	418.921	5.079	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)NCCc1c[nH]c2ccccc12	59104570	KCXMMZIGIDKFDK-KQWNVCNZSA-N	421.500	5.013	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OC	107860453	UMVKINQCLVLGNW-XLNRJJMWSA-N	420.553	6.289	50	40	HKGB	
N#C/C(=C/c1ccc(I)cc1)c1ccc(Cl)c(Cl)c1	408586467	NARCBLTUMPYNNC-GHXNOFRVSA-N	400.046	5.662	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408837263	BDLOQBMCJUQROV-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408846667	RJMUMFBOHKLWPB-IMRQLAEWSA-N	409.489	5.225	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1C	408966666	NMILEQNYWOLXNL-UCQKPKSFSA-N	420.516	5.805	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1Cl	409054918	WIUXIERMZRARQU-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1c(F)cccc1Cl	409124614	BABDCYXDKLDBQC-QPSGOUHRSA-N	405.709	5.169	50	40	HKGB	
Cc1cccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1C	1739469	CXIMUDDYVZORRS-HOTGVXAUSA-N	411.137	5.142	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](Nc1ccccc1)c1ccc(F)cc1	2050611	NYDRLKMJAHIUFE-VWLOTQADSA-N	401.421	5.951	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1nc2ccccc2[nH]1	8405599	HBVNTKYIGWHEJL-GZTJUZNOSA-N	420.299	6.513	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	11666782	RHHGQDDDDBIJNQ-FTWDSPQQSA-N	410.901	5.118	50	40	HKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	31829163	QFLOLEOAXRQQSV-WQRHYEAKSA-N	404.491	5.782	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)c([N+](=O)[O-])c1	34705955	KGPFIFXUVZPRCI-RVDMUPIBSA-N	419.487	6.430	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	58917498	QXBPBQZVCDDBRF-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1	103311250	AJGHDYDIYVCHOF-WDXJLFBISA-N	410.521	5.247	50	40	HKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)c1	164595944	CAIHSIXSHZFKIS-MTJSOVHGSA-N	404.897	5.988	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c1C	408545331	XXTXPCPMUQTJJH-ODLFYWEKSA-N	406.869	5.519	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c2ccccc12	408735643	VNUCEEARSVCUJS-CPNJWEJPSA-N	418.924	6.382	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc([N+](=O)[O-])c1C	408745529	NJQRLELGTQVXPQ-YBEGLDIGSA-N	421.840	5.671	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OCc1ccccc1	408760740	FGVHMHSCCBIWIJ-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1	408779194	BQVJSIOMVSXBDI-WQRHYEAKSA-N	400.831	6.831	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c2ccccc12	408800066	KAVFKXIOCOCGTE-XDHOZWIPSA-N	418.924	6.382	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1	408800292	LPMXORWHSWSMKK-RIYZIHGNSA-N	418.722	5.023	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1	408852166	CSCHBVDNXUDLAB-SSZFMOIBSA-N	406.283	5.094	50	40	HKGB	
CC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)cc1	409210720	MBZXZJKQUXBTOC-FSJBWODESA-N	412.898	5.045	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)c(C)c1	3226746	BGEPOUPMKXUGSV-ZTKZIYFRSA-N	419.528	6.537	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)cc1	8453663	NKFIBRHOTFMPIV-XDHOZWIPSA-N	420.493	6.442	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	13027767	RJAPCCMLGXAFHH-XQNSMLJCSA-N	408.526	6.940	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)c1ccccc1	13424363	DCWWDRXBZUEBBP-RHTHQAGFSA-N	400.434	5.808	50	40	HKGB	
CC(C)c1ccc(OCc2ccc(C(=O)N/N=C\c3cccc([N+](=O)[O-])c3)cc2)cc1	33348673	ADSFVHLNCSHULF-MYYYXRDXSA-N	417.465	5.061	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1	40476961	XKLKGAPKZSWYPL-XMHGGMMESA-N	403.507	5.526	50	40	HKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc(C(C)(C)C)c1O	140677317	LZMCVUUSBWUYES-QNGOZBTKSA-N	418.581	5.643	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1	408535531	YVBOFUYZBCDITN-PTNGSMBKSA-N	409.239	5.990	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1	408544083	RSTJGRZLOWHCDH-JLPGSUDCSA-N	419.480	6.490	50	40	HKGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc2ccccc2n1Cc1ccc(Cl)cc1	408733514	YTXSEDLHNDJMPC-LDADJPATSA-N	414.852	5.710	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cn1	1063928	PDGUZCCDQJFCET-NUGSKGIGSA-N	408.672	5.374	50	40	HKGB	
Cc1cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1	1781123	TYOIKMCGCZNONN-TURZUDJPSA-N	407.517	5.376	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	9443634	INCVKKDCBFMWPJ-OQLLNIDSSA-N	414.317	6.139	50	40	HKGB	
O=C(Cn1ccc2ccccc21)NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1	9730568	BPIRDPBDHQTJEB-UHFFFAOYSA-N	422.315	5.517	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3Cl)n2)c(C)c1	13766116	IGPQYPLMMNDIGH-UVTDQMKNSA-N	400.334	6.710	50	40	HKGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1	18199549	NXHHOMIWIACDKR-NRFANRHFSA-N	412.876	5.442	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	20344741	SJOBPFFPUBKJRT-GZTJUZNOSA-N	410.304	5.947	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)[nH]c2c1	33784039	APPNSUDPMVAQRL-BKUYFWCQSA-N	403.489	5.891	50	40	HKGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@H](Br)C2=O	100868258	FHNPPLVMNBLNFV-DQYPLSBCSA-N	419.146	5.091	50	40	HKGB	
O/N=C(\CSSC/C(=N\O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	104334088	KESDEQSKAJKBEN-MXWIWYRXSA-N	401.340	5.432	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1OC	408579047	CONWUXZZVUXGEU-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)c(C#N)c1C	408585450	DXCNKAGAOYELRP-LSCVHKIXSA-N	410.304	6.547	50	40	HKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1	408727138	OSOBSVFWSJWJOV-SFHVURJKSA-N	422.981	5.778	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cccc(F)c2)cc1	408872053	JSBRAEKUJZLGEC-PXLXIMEGSA-N	414.480	5.533	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2Cl)c1	408884331	TWNWJRUMHJLYPK-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
CCOc1ccccc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408925707	SXUIRRSNFKNANY-WPWMEQJKSA-N	424.585	5.469	50	40	HKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1	409217834	XECFQKNOFQUUQB-STZFKDTASA-N	415.449	5.243	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(Cl)c1	10060140	XXVUUMVBFCZVBE-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
N#CC1=C(c2ccccc2)NC(c2ccccc2)=C(C#N)C1c1ccc2ccccc2c1	19815818	GCOGCBGQTIXCFB-UHFFFAOYSA-N	409.492	6.396	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccnc1)c1ccc(C(F)(F)F)cn1	32815497	SYYCVUNKXFARFV-LZYBPNLTSA-N	415.802	5.792	50	40	HKGB	
CC(C)(C)[Si](C)(C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	195751869	XJPCQIRUZCYMRC-UHFFFAOYSA-N	418.481	5.842	50	40	HKGB	
Clc1ccccc1-c1nc2cc(C(Br)Br)ccc2o1	216827905	ZESWXZHTDHLOPF-UHFFFAOYSA-N	401.485	5.937	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1C	408567588	ORIMOYZRAHNDTR-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc2ccccc2c1	408804129	WEUJEZKZSWMNDQ-MCSKVHBMSA-N	411.549	5.849	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)CCCc2ccc(OC)cc2C)c2ccccc12	408910856	LUVPNFQRBCVLLY-YZSQISJMSA-N	404.510	5.029	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(F)cc2)c1)C(=O)NCCCc1ccccc1	409250258	MUXIFTGDNWPZKB-KQWNVCNZSA-N	414.480	5.061	50	40	HKGB	
Cc1ccc([C@@H](NC(=O)Nc2ccc(SC(F)F)cc2)C(Cl)Cl)cc1	3202332	TXFGIWIXDFBRHQ-CQSZACIVSA-N	405.297	5.976	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1Cl	6672705	BMTVIQBXZRCDGY-YDZHTSKRSA-N	406.898	5.018	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	12564845	JPYQTIYPHKOIPB-SBNGLSRPSA-N	400.856	5.327	50	40	HKGB	
CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@H](Cc3ccccc3)[C@]12C)(C(C)C)C(C)C	263602205	MAEFGDXAOKXWIQ-HWBMXIPRSA-N	413.678	6.220	50	40	HKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	408548977	OPGDXDDQOVTBSR-ODLFYWEKSA-N	408.295	6.074	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1	408787075	QRLWODFNCUADPH-NDENLUEZSA-N	414.465	5.165	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1cccc2ccccc12	408857148	NFPGWAWVZJHPEY-BUVRLJJBSA-N	418.294	5.157	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)c1	408936461	JYCPHRQUTKCGSA-MOSHPQCFSA-N	413.433	5.028	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	408982469	HDIZKPSZVPBUEC-AUWJEWJLSA-N	421.711	6.066	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)ccc1Cl	409363454	LXQGCIOVWXSICA-SXGWCWSVSA-N	421.836	5.570	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)C(=O)N1CCCC1	409371141	FRIMSWFKYURMEA-GZTJUZNOSA-N	424.331	5.526	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1C1CCCCC1	695031	HVJLIGPBXMTJFT-JVWAILMASA-N	413.521	6.273	50	40	HKGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(C)cc3C)cs1)OCO2	1293739	HZXSEJRRUVBBFD-MHWRWJLKSA-N	417.490	5.335	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c1	4705345	CYSCIMTYMDSKAZ-XSFVSMFZSA-N	407.473	5.244	50	40	HKGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	4724422	OMRGFZVJQXEKFP-AFUMVMLFSA-N	410.901	5.427	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	6410827	ZUFFSSWMGIBYOS-RVDMUPIBSA-N	411.288	6.361	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1OC	13133696	LAFAZJCEVSJXOF-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1Cl	39884562	LKWAXETZFJYLHY-FMIVXFBMSA-N	417.679	6.452	50	40	HKGB	
CCCCCCCC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C	59314298	VPYNRYXSMJMETL-GFMKWPLKSA-N	405.110	8.923	50	40	HKGB	biogenic
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118924791	WIKSGAWKTUOFRC-JNYJZVOVSA-N	420.125	7.572	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccc(Cl)cc1	209280170	MQDBJDVSXCJHSN-UYRXBGFRSA-N	424.928	5.283	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1ccccc1Cl	408873994	YIZQNHQXHKUZHW-KGENOOAVSA-N	416.908	5.875	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1	408887247	OZLUFUPOQAEPIH-VGOFMYFVSA-N	404.253	5.571	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(O)cc1	408898499	LWMQHRUVNSZREO-GZTJUZNOSA-N	422.843	5.309	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)c1	409252698	URPHOVOLHUXVAU-JFLMPSFJSA-N	415.924	5.724	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc2c(c1)OCO2	409366805	YPPYYNUNDJLFEY-ODLFYWEKSA-N	412.876	6.136	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(C#N)cc1	409369186	HCWABFLSJROLIM-JAIQZWGSSA-N	405.284	6.508	50	40	HKGB	
CC(C)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1	4950314	ZWVDWIJQSRTBGO-MPKUCHHWSA-N	406.482	5.152	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1	9329867	GGYJFRIQWAUJBX-FOKLQQMPSA-N	401.297	5.271	50	40	HKGB	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1	9668285	WGAUKCMISOVCGF-XQNSMLJCSA-N	423.512	6.302	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(Cl)cc1	14134332	JVVPKIVBKCGXAN-LGJNPRDNSA-N	405.860	5.246	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c1	18192448	MCSRLHLIFYOJAY-HYARGMPZSA-N	423.472	5.082	50	40	HKGB	
FC(F)(F)C(=C(S[C@H]1CCC[C@H]1Cl)C(F)(F)C(F)(F)F)C(F)(F)F	107509314	LQCMDVGAQUXIOF-UHNVWZDZSA-N	416.683	6.456	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1	207863141	HIUZUTUHGRXIKB-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2C(C)=CC1(C)C	208507486	RXULSPVWHNRBDH-DHRITJCHSA-N	416.352	5.779	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(F)cc1	408710704	GDGGAZZDUSVCDT-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccccc2)cc1Br	409044158	BBWQDFLQGZMTHP-OQLLNIDSSA-N	419.116	5.841	50	40	HKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	1095506	NEWLJZQHCPZJSO-NTCAYCPXSA-N	407.267	5.157	50	40	HKGB	
CC(=O)N(Nc1ccccc1)c1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1	3845139	QTBQUFFUYRQNOY-BYYHNAKLSA-N	406.489	7.149	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccccc2C(=O)O)o1)c1cc2c(ccc3ccccc32)o1	15228760	JAIXCJHPBAKHRC-WGARJPEWSA-N	424.412	5.308	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	20197730	UTDXRRZLBGKAFH-CVKSISIWSA-N	423.944	5.609	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C(/CCC)c2ccccc2)cc1	98001602	QPUAHMKWAZNTAN-SGEDCAFJSA-N	422.613	7.140	50	40	HKGB	
Clc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)cc1	100295748	RUXRATSOLYSMAL-KLIQENQMSA-N	408.792	5.469	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2C(C)=CC1(C)C	208524557	UKQXXFICRGAYQN-XKZIYDEJSA-N	413.565	6.179	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2F)cc1	209491527	HELQQDPRSGGGFB-UDWIEESQSA-N	422.297	6.540	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1OCc1ccccc1	212132283	ZFHMHHXJFYNVJT-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2c1	408788776	GTUAQEBIOYURIV-RGEXLXHISA-N	400.478	5.491	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408810702	PVRIVGPVXFSIOR-HYARGMPZSA-N	413.521	5.574	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1ccc(C)cc1	409190839	RFDQRGZHVVUFFF-ODLFYWEKSA-N	424.928	5.202	50	40	HKGB	
Cc1ccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCCCCCCC2)cc1	1084412767	TXYWNPFIDQLJCQ-UHFFFAOYSA-N	410.480	5.530	50	40	HKGB	
Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)c1	2279852	CUNNODWNNIKLJY-WJDWOHSUSA-N	410.340	6.166	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)c1	4739579	OZNSABHUUJHGFM-BRJLIKDPSA-N	414.336	5.782	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	6627198	ICFGJUOEAFULFF-DHZHZOJOSA-N	403.232	5.139	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1cccnc1	7141330	IXZMODOTJJHTAI-ZTKZIYFRSA-N	421.500	5.482	50	40	HKGB	
CN1C=C(C(F)(F)F)C=C/C1=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	12559310	SECBSUQRINUKKW-KAMYIIQDSA-N	421.728	5.023	50	40	HKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	34377842	MVLTZMGWSYOANB-FYJGNVAPSA-N	402.519	5.998	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)Nc1cccc(Cl)c1Cl	59336614	XFUASWGHWOSVFZ-OWBHPGMISA-N	404.297	5.512	50	40	HKGB	
Cc1ccc([C@@H](Br)[C@@H](Br)C(=O)c2ccc(Cl)cc2)cc1	101673940	XXMVXJKXJBKZRP-HUUCEWRRSA-N	416.540	5.731	50	40	HKGB	
CCCCOP(=O)(OCCCC)[C@@H](O[Si](C)(C)C)c1ccc(Cl)cc1	195788708	PSSOQXCMCIIPIN-GOSISDBHSA-N	406.963	7.017	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	209386852	UQTSTFIXSHKYBX-LCYFTJDESA-N	417.679	6.452	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2ccccc2c1	408723151	QUTRNKCKJJMAIS-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Cl	408791905	FDKIIFKYIWCDKA-CXUHLZMHSA-N	401.293	5.721	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408793696	FZRHPLZKVKVIDF-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1C	408806637	FYLMMLHYKJQUMG-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C	408810259	LWFSIBMUFLCKOT-LDADJPATSA-N	405.885	5.302	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408993918	XMNCJZMHUCYAQE-UNOMPAQXSA-N	422.912	5.496	50	40	HKGB	
C=CCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409036914	WQTLXLJZAPTFNW-IMRQLAEWSA-N	407.473	5.231	50	40	HKGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	409196691	YEAPPFUGPUXNQO-ZMOGYAJESA-N	407.926	5.097	50	40	HKGB	
CC(=O)Oc1cc(OCCCCCl)cc2oc(C)c(-c3ccccc3)c(=O)c12	2559187	XMWGOOMJMAADQJ-UHFFFAOYSA-N	400.858	5.092	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	3232231	VIQAGFYYJWLSQN-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1nc2ccccc2[nH]1	4455994	BBZKZJGCIGZZDQ-QGOAFFKASA-N	408.892	6.283	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	9201246	UEYMXCVVXXPRNH-STBIYBPSSA-N	417.512	5.915	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(F)c1	15224843	QEYNVCSVXWVARU-VROXFSQNSA-N	402.212	5.028	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1F	59117155	CFYXDQAVBQVLOV-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1Cl)[C@H](C)CC(C)(C)N2C	208232193	ZZHJEUFWSWHYGH-CJMVGXJBSA-N	407.945	5.916	50	40	HKGB	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	245380377	XVBLKXKJUOMOSZ-ZVONEAGYSA-N	422.956	5.688	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Cl	408579981	MHQFHPYLFZDSCL-WUXMJOGZSA-N	401.120	7.153	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408746096	QUJZVDSDMVMLFV-JWGURIENSA-N	411.549	6.246	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Cl)c2)cc1	408757780	BYKSZUINWRAEKW-CPNJWEJPSA-N	416.864	5.413	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	408837739	MOIZMTHWUPJZGY-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1	408964409	CEERRTOPJLNELS-DICXZTSXSA-N	411.509	5.415	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	409042697	OEOXSECJQHERIW-MDWZMJQESA-N	409.700	5.981	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)[nH]c2c1	409392744	ROYXHAKGPUSOEC-WQLSENKSSA-N	420.812	5.457	50	40	HKGB	
COC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1	1396329	XURMNOIKZJNGIL-CJLVFECKSA-N	405.457	5.286	50	40	HKGB	
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H](Br)c1ccccc1	2581865	XGLQPIGNKJEZEV-LJQANCHMSA-N	416.702	6.207	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)Cc2ccc(Br)c3ccccc23)cc1	3113394	IOEYJCCYLGHMGE-MFKUBSTISA-N	423.354	5.593	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccccc4Br)o3)[nH]c2c1	4631846	BZXBQUQVSCGFNQ-KAMYIIQDSA-N	404.267	5.958	50	40	HKGB	
C/C(=N/NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc2ccccc2c1	4674741	ITLIJCZHYKKNML-USHMODERSA-N	405.501	5.878	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	9693152	PWUKVQMZMNBDKQ-LJQANCHMSA-N	423.969	5.430	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	13512992	HTOGKWWCYJSIEH-LGMDPLHJSA-N	420.852	5.322	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc2ccccc12	13785763	AYGROHLEGUCGHJ-QNGOZBTKSA-N	409.464	5.932	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)cc1	59201376	HIBIDXXPKMAKAK-XSFVSMFZSA-N	414.461	5.286	50	40	HKGB	
ClP1(Cl)=NP(Cl)(Cl)=NP(Cl)(Oc2ccccc2)=N1	101637364	NOOAHSHWFHLIRL-UHFFFAOYSA-N	405.313	8.112	50	40	HKGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccc(/N=C\c2ccc3c(c2)CCC3)cc1	104224833	RTABLUCXUILMBO-GQGQITAGSA-N	407.517	5.179	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2C(C)=CC1(C)C	208515031	FDAABSJBPGUEIA-PDGQHHTCSA-N	405.929	5.907	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)Cn1cnc2ccccc21	408691825	SHIPILORTMMUDX-NDENLUEZSA-N	410.433	5.131	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(F)cc1	408737595	FKHQNCVYSOQKPW-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1nc2ccccc2[nH]1	408809721	HRBBUVLBPCUKPE-GZTJUZNOSA-N	420.299	6.513	50	40	HKGB	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408824699	HHTRWJCMNWXKJF-CJLVFECKSA-N	412.489	5.518	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408965911	JTVJDDDPYBMSKL-HMAPJEAMSA-N	406.489	5.496	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc(F)c2)cc1Cl	408988684	IVFJQHCAOJECDO-UNOMPAQXSA-N	420.871	5.912	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409248546	HDBVSKBPSJLDHX-QPEQYQDCSA-N	424.806	5.312	50	40	HKGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	5416073	PCPUWHSJCQMOAL-APMPPKRVSA-N	410.517	6.005	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)c1	6967165	FUFPTSKVFVRXAR-STBIYBPSSA-N	417.512	5.915	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)[nH]c2c1	34697043	MYTJCBYNZQELCK-UYRXBGFRSA-N	410.433	5.423	50	40	HKGB	
N#C/C(=C\c1cccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1	44827343	IZQZVVJGINQQPC-AWNIVKPZSA-N	401.274	5.910	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1F	59117171	OOJZKSOLZTZCMS-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1	59266511	SNKGZIYMLOMOLJ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1	408752839	CRXVFXQYZKAZBO-STZFKDTASA-N	405.339	6.483	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1	408791715	BHIZETLBOROUIS-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408803985	BMPSMSQRGSPVDH-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
COc1cccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)c1	408971747	PVPKTGMMXFDCNF-WNFQYIGGSA-N	413.713	5.634	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1	408984611	JHNOKHFICVTMRX-LFIBNONCSA-N	406.825	5.152	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc([N+](=O)[O-])cc1	409069833	XCCZLJMDSBJJTO-LPYMAVHISA-N	411.870	5.163	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCC)c(O)c3)n2)cc1	4791417	XHWKTDICLLXFPH-MOSHPQCFSA-N	404.535	6.321	50	40	HKGB	
CCOc1ccc2nc(S/C(=C\C=C(C#N)C#N)c3ccc(Cl)cc3)sc2c1	16693087	SUSXABDYIIGQSX-GRSHGNNSSA-N	423.950	6.455	50	40	HKGB	
CC(C)(C)c1ccc(COc2ccc(Br)cc2/C=C/C(=O)Cl)cc1	62715270	NQIOFQNPXGTNCO-IZZDOVSWSA-N	407.735	6.104	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccc(F)cc1	408799244	GXAPPJWVMPKBQE-NGNZWAJUSA-N	422.500	5.015	50	40	HKGB	
Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	993641	XOLZKPUFWRIKKB-ZMOGYAJESA-N	405.841	5.327	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C	2797340	KKYPWQAYCVGZOT-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)cc1	4923524	USLZBCMVCNKNPR-NRFANRHFSA-N	421.541	5.388	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1)c1ccccc1	8240091	JZBKONRIJOEKSS-CEZZIEKDSA-N	400.453	5.189	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)c(C)c1	9445813	TUMMSJBPILKCNG-LFIBNONCSA-N	424.367	6.474	50	40	HKGB	
N#C/C(=C\c1ccncc1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1	26533333	ANXJNHJRJDHYIP-SDNWHVSQSA-N	404.476	5.176	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1ccccc1	32116862	SLXPTKPKPUYECZ-XKZIYDEJSA-N	411.870	5.163	50	40	HKGB	
Cc1c(CO[Si](C)(C)C(C)(C)C)c2cc([N+](=O)[O-])ccc2n1C(=O)OC(C)(C)C	197883298	PQQSKMSMHYUSBB-UHFFFAOYSA-N	420.582	6.163	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	408598490	BLECPHBCZLJJCR-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	408745014	OTCDOMSMFVJGKJ-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)[nH]c2cc1C	408791312	YOCYRYROFIWAGY-ODLFYWEKSA-N	411.465	5.560	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408802716	GMMIYZNECMCGKK-LDADJPATSA-N	424.331	6.255	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1C	408967122	PVYUIEDUXCFNOM-UCQKPKSFSA-N	420.516	5.805	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)Nc1ccccc1	409202946	VJDXOKXIMIUCSU-QRQIAZFYSA-N	418.500	5.998	50	40	HKGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409321314	FRJXAPYSEKBNPU-INIZCTEOSA-N	419.333	5.274	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@H](Cl)CC[C@@]4(C)[C@@H]3CC[C@@]12C	1073439359	OTVRYZXVVMZHHW-HFRBDLMJSA-N	405.110	8.635	50	40	HKGB	
CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3Cl)CC[C@@]1(C)C(=O)[C@H]2Br	2172588	AHSLWDCWEZENFO-OAUYIBNBSA-N	419.146	5.091	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1C	3080145	KHGKOTIFWMPYFM-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
CC(=O)Oc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	13424413	VEOJANRIEPSJNP-HZHRSRAPSA-N	422.509	6.467	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C	14134588	CEBDNFVUJJMDCR-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1	33347201	QNKFLRNLLRWTRB-UNOMPAQXSA-N	404.397	5.386	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(Br)ccc1O	58900536	QTAWQPUHYROUQL-ZMOGYAJESA-N	419.278	5.225	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc21	223486570	BVTYIWMWQCSTGF-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc(Cl)c3)cc21	223501880	XEFQOTFAYVTKRQ-VULFUBBASA-N	409.961	5.823	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408793406	FHXWPQZYEJPWOK-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1ccc(Cl)cc1	408922199	DYECYLPEUAMMQU-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)NC1CCCCC1	3205877	ISZXXWRYZIBWIU-UHFFFAOYSA-N	423.453	5.428	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)c1nc(-c2ccc(Cl)cc2)cs1	4813938	MBRGYWSJCLPNQK-UYRXBGFRSA-N	414.917	7.320	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(C(C)=O)cc2)o1	6186622	FEAUIOPHEARLRY-CVKSISIWSA-N	412.445	5.075	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)c1nc2ccccc2[nH]1	9187242	SPJMVIKEGPQELE-XQNSMLJCSA-N	401.469	6.359	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1	17113495	CNHNIGWGEXJWSU-QGOAFFKASA-N	419.506	5.360	50	40	HKGB	
O/N=C(\CSSC/C(=N/O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	17284641	KESDEQSKAJKBEN-VBGLAJCLSA-N	401.340	5.432	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc(C)cc3C)c3ccccc32)cc1	20194585	WWDNPVABLBLOMS-LQKURTRISA-N	409.533	5.308	50	40	HKGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C\C(C)=C/c1ccc(C(C)C)cc1	32705965	OAKYMHYUFYJLQB-CIQUBLSWSA-N	411.977	6.168	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(Br)c1	33411541	LEMPAAFHYZJZOA-WMZJFQQLSA-N	412.070	5.007	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)c1	39884516	IODWOLLABKCLNC-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1-c1ccccc1	59335910	NQDXFTXQXLRMKH-SFQUDFHCSA-N	410.304	5.947	50	40	HKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59425734	YWQXNGIDFWIVLK-TURZUDJPSA-N	408.501	5.502	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1	408581965	KEVWRMDZUHWOBH-CPNJWEJPSA-N	418.880	5.430	50	40	HKGB	
N#C/C(=C/c1ccccc1I)c1ccc(Cl)c(Cl)c1	408585199	CTFOVIMLRVIEDZ-GHXNOFRVSA-N	400.046	5.662	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1OC	408797198	QHRJDVYYNXXNJQ-VZUCSPMQSA-N	411.672	5.210	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	408813488	XTBSKBMPPWHDEX-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Br)cc1	409345537	LZAHUJFVIDUBNH-YDZHTSKRSA-N	411.299	5.153	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	409361135	GSRADBHPLYFBIK-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1	2669467	NNSBAFHOPRIDIC-DEDYPNTBSA-N	415.518	5.153	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(C(=O)O)cc2)c1)c1ccc(Cl)cc1Cl	408580193	MYPALIUBPQSPSP-VCHYOVAHSA-N	424.283	6.335	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(Cl)c1	408599303	SFKHFFMCVQSTID-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(C)n(Cc2ccccc2)c2ccccc12	408744923	OAYVUCDCEHVAHF-JWGURIENSA-N	405.501	5.852	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1C	408787988	HZAQBXMDPZBYRL-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408794230	IKJBAZFTKUGEKZ-LICLKQGHSA-N	422.843	5.309	50	40	HKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408803006	KIIRKXAMHDAWNU-CXDFQFJYSA-N	405.929	5.473	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1	408816745	ZDYJSYSZLSRRMQ-DSQDWWTGSA-N	421.840	5.293	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1	408874966	GRRZFGAKJLLXSA-CPNJWEJPSA-N	407.300	6.130	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3cc(C)ccc3C)c3ccccc32)cc1	409366622	XEQZHWHIYDBHSM-LQKURTRISA-N	409.533	5.308	50	40	HKGB	
Cc1cc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)c(C)s1	6300268	KAFUDZOHMXDHII-AWEZNQCLSA-N	417.321	5.280	50	40	HKGB	
CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	17270533	YQVODZCGCZVHTG-XDJHFCHBSA-N	403.507	5.744	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)c1	59248800	PSRNDGMYWQZVDG-LGMDPLHJSA-N	420.310	5.402	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	85210385	QKOWLIHHJYBRRJ-VEIPTCAHSA-N	405.110	8.635	50	40	HKGB	
CCCCN(CCCC)CC(=O)/C(C#N)=C1/NC(c2ccc(Cl)cc2)=CS1	102949271	VROYYWVGTGWIOI-UZYVYHOESA-N	403.979	5.181	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	408722578	LDQTYPQDZJHMQF-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1C	408796857	QIXZSHWJURKVEF-FOWTUZBSSA-N	408.910	6.247	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1	3079560	WLRDJWMSJYCTJV-NTRYICDMSA-N	418.562	5.346	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccccc1	6381179	XUTIKGLDWSHPAC-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1	9201733	BQDDJIFEGQSCSE-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c([N+](=O)[O-])cc3C)n2)cc1	9363535	CEMQBHRXNXALSA-RVDMUPIBSA-N	422.466	5.021	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1C	14134563	WZEBPHOZUKYOPS-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
Cn1c([C@@H]2CCCCN2C(=O)CCCC[C@@H]2CCSS2)nc2ccccc21	56132108	FWGBHZWTNVPBIO-APWZRJJASA-N	403.617	5.341	50	40	HKGB	biogenic
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl)c1ccccc1	59224764	WQNQHBSHJAUAPY-OSVNEOKWSA-N	416.908	5.703	50	40	HKGB	
BrCCCCCCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1	72334095	OFWZKZVLEGBVMY-UHFFFAOYSA-N	401.304	5.738	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1	95117826	XEKMSRLJGSVXEB-LSFURLLWSA-N	409.656	5.376	50	40	HKGB	
O=C(NCc1ccc(N2CCCC2)nc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	102152773	PNUIJAOLGQHHNG-UHFFFAOYSA-N	422.423	5.661	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223529104	IWXIKXVWLWKXOH-VKLJRCAFSA-N	413.565	5.645	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(Cl)c1	408599741	ZFIMJOXJVBOJPG-ZDLGFXPLSA-N	414.719	7.290	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408735315	QJQBNVXNEWQVQQ-LDADJPATSA-N	424.331	6.255	50	40	HKGB	
Cc1cc(C)c([C@@H](Br)[C@H](Br)c2c(C)cc(C)cc2C)c(C)c1	1706639	NUGRVSSPKJQBNE-WOJBJXKFSA-N	424.220	7.109	50	40	HKGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(Cl)cc3)cs1)OCO2	2313008	RXCLQDDUWASSQP-NTEUORMPSA-N	423.881	5.371	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl	2315484	SEDKORJLGKFFHC-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
CCOC(=O)n1c(/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)nc2ccccc21	4427074	PYGFTNMDEATSKR-DTQAZKPQSA-N	401.397	5.504	50	40	HKGB	
CC[C@H](C)n1cc(/C=C(\C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	4740001	OERXCZFHAHQYTA-OFBHVFLISA-N	410.521	5.359	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccs1	9540246	HLOYFVHOXZOGLK-XMHGGMMESA-N	424.529	5.763	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCCOc1ccccc1OC	26681005	MIJLOBGWHWACPF-OQKWZONESA-N	415.489	5.616	50	40	HKGB	
O=C(CN1C(=O)c2cccc3cccc1c23)NN=C1CCCCCCCCCCC1	108904672	BCVKGRQFXVQUEK-UHFFFAOYSA-N	405.542	5.577	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC(C)(C)N2C(C)C	223591086	VQIMATWQDBEIHX-YSGZUTGPSA-N	422.529	5.168	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2)cc1	408567293	LKLZRNXPARUDFO-MTDXEUNCSA-N	414.549	5.564	50	40	HKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl	408729150	XYOMQCVWHXFZBR-VTGBELTLSA-N	404.322	5.173	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408813575	QSPWBEJRGWXLDV-GZTJUZNOSA-N	423.875	5.441	50	40	HKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccccc1Cl	409240721	VAPAXDXKJNRPRX-WGARJPEWSA-N	405.860	5.246	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1cccc(F)c1	409394062	VCSANABEONJVSP-QNGOZBTKSA-N	413.879	7.275	50	40	HKGB	
ClCCSCc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1	1705584	PNZGYVLIIFMABN-UHFFFAOYSA-N	412.985	8.285	50	40	HKGB	
CCCCc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	3144724	XDRUAPTYSYLUSI-MTDXEUNCSA-N	410.517	5.865	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1C	4922408	DIDJKOVBQHABJA-IBGZPJMESA-N	409.942	5.176	50	40	HKGB	
C/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(C2CCCCC2)cc1	5494375	NZBYGSVQANVIAX-NTFVMDSBSA-N	417.475	5.705	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c1	59473287	WECAYJHJWANRNA-CVKSISIWSA-N	418.562	5.266	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21	223513002	PLWAPOALUPRHBY-NDENLUEZSA-N	417.528	6.090	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223611771	NPLNGGKXYSTEAR-OMTSMLQXSA-N	422.573	5.660	50	40	HKGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1	408746858	WVUFTADLUYLYQZ-WJDWOHSUSA-N	420.852	5.241	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc12	408760884	AMJZCYFBGLFTOF-VBKFSLOCSA-N	421.294	5.547	50	40	HKGB	
CCOc1cccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)c1	673197	JFJOVCUXDZSDGN-MFKUBSTISA-N	415.518	5.434	50	40	HKGB	
CC1=CC[C@@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)CCl)[C@H]1c1ccccc1	1408487	VZSRXJQSMQBLGG-JYFHCDHNSA-N	416.952	6.257	50	40	HKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	2670199	XQBSRPHBFRDSHE-PTGBLXJZSA-N	414.549	6.500	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccccc1F	5446761	ONTLILLNTWJAML-OGLMXYFKSA-N	413.452	5.107	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2cccc3ccccc23)c(C)n1-c1cccc(C(F)(F)F)c1	6414983	JLNRQTHAVKQHNB-KGENOOAVSA-N	416.446	7.330	50	40	HKGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@@H]1c1cccc(Oc2ccccc2)c1	9015453	WANZATQYARABCN-JOCHJYFZSA-N	412.514	5.751	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cscn2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	40139914	JCDLDMJCZXTDRT-VIZOYTHASA-N	403.438	5.132	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473176	UAGBQOQFRNVCFV-KOEQRZSOSA-N	404.535	5.532	50	40	HKGB	
O=[P@](Nc1nc2ccccc2s1)(c1ccccc1)c1nc2ccccc2s1	139346799	NFMHAPQFXHLOEX-RUZDIDTESA-N	407.460	5.247	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)cc1	408591466	UDCYATIYESAWIV-WPWMEQJKSA-N	401.554	5.393	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	408795627	CNEHVYVDZRCGBO-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccco4)cc3)cs2)cc1	408844342	NNCWEZXPODHRJF-YDZHTSKRSA-N	402.479	5.219	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)cc1	408875632	KUXOCDBPXUHPRL-JJIBRWJFSA-N	410.517	5.839	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1)c1ccccc1	409239371	MZRDYGWIJWIFAN-QLENYVDCSA-N	421.294	5.493	50	40	HKGB	
Cc1cc(C)c([C@H](Br)[C@@H](Br)c2c(C)cc(C)cc2C)c(C)c1	1706640	NUGRVSSPKJQBNE-PMACEKPBSA-N	424.220	7.109	50	40	HKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4)CC(=O)N3C2)cc1	4923542	HPVSEZSEYDZRSX-OAQYLSRUSA-N	403.551	5.249	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(Cl)s1	5020456	FUNKYOPXJXYRPV-HZHRSRAPSA-N	414.914	5.013	50	40	HKGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1	6982443	VDMVNWCYORNYCT-LQKURTRISA-N	411.427	5.325	50	40	HKGB	
IC[C@H]1CC2(c3ccccc3)c3ccccc3N1c1ccccc12	9144896	YQOWUARJVAIVIH-QGZVFWFLSA-N	423.297	5.680	50	40	HKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1	9445082	DNTLUJPYYBCAEN-LFIBNONCSA-N	424.323	5.752	50	40	HKGB	
CC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1	20132349	PXWMACDNLMXEMX-JTQLQIEISA-N	420.170	5.294	50	40	HKGB	
COc1ccc(/C(C)=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	20247390	SGONDLGBIVATRQ-PCLIKHOPSA-N	402.519	5.039	50	40	HKGB	
Cc1ccc(C)c2c1C=Cc1c(C)ccc(C)c1[C@H](Br)[C@H]2Br	100359139	KDAOPCIGNVGXLN-PMACEKPBSA-N	420.188	6.976	50	40	HKGB	
O=C(O)/C=C/c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102972759	COBJWDZVOSZWNT-DYTRJAOYSA-N	423.452	5.594	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208193224	DTEJBUNFGVADSU-GZQZNAIASA-N	407.945	5.916	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1	408586701	OVWCPCMENQBDTR-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(Cl)c2)c1	408937184	MZQCBXCJXFBPSX-NDENLUEZSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1	2341533	DHNCHKQNSQEQBQ-JOCHJYFZSA-N	420.965	6.011	50	40	HKGB	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1	2632740	OJDREWMUILMKAO-LFIBNONCSA-N	403.309	5.964	50	40	HKGB	
C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1cccc(C(F)(F)F)c1	7026791	NVHMTPLITMYFDN-JVWAILMASA-N	412.411	5.292	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cccc(Br)c2)c1C	15932239	KKYPWQAYCVGZOT-CFRMEGHHSA-N	424.342	5.237	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1O	26681037	ICMDENBWWBGCJY-LFIBNONCSA-N	410.945	6.186	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)o2)c([N+](=O)[O-])c1	27532527	IRQYOSXZMSVPSD-RVDMUPIBSA-N	421.840	5.671	50	40	HKGB	
Cc1ccc(S/C(Sc2ccccc2)=C(/C#N)NC(=O)c2cccs2)cc1	27663831	BYZONHNNJPPCKD-UZYVYHOESA-N	408.573	6.064	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1	33339779	HLSXTVHKATXGHQ-ATVHPVEESA-N	420.852	5.322	50	40	HKGB	
CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccc2c(c1)OCCCO2	58265184	HYKXCPDLIFSBJL-UTKZUKDTSA-N	409.617	5.375	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1	59116685	JDXUVKUNBMPMOC-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CCOC(=O)CSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1	100703019	ROHGSAXFJZZGKI-OAQYLSRUSA-N	410.539	5.376	50	40	HKGB	
FC(F)(F)Oc1c(Br)cc(CBr)cc1C(F)(F)F	169796322	LIPMTUDXCMPVRM-UHFFFAOYSA-N	401.926	5.261	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1	408743551	GPFIFNZITDMOEO-ZHZULCJRSA-N	402.881	5.773	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)cc1	408757389	ZJBUXPARDGGUJO-BKUYFWCQSA-N	405.339	6.483	50	40	HKGB	
C=CCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408810699	ULOXTKWVGAATLG-NTEUORMPSA-N	403.265	5.112	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1	408865490	CRGFWABIMYNKPV-LTGZKZEYSA-N	400.453	5.361	50	40	HKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c([N+](=O)[O-])cc3C)n2)c1	9312437	VNIILLRUZKUPHP-RVDMUPIBSA-N	422.466	5.021	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1ccc2ccccc2c1	59334300	CUBMIGCVPUCRNZ-JAIQZWGSSA-N	420.896	5.076	50	40	HKGB	
O=P(Cc1cc(/N=N/c2ccccc2)ccc1O)(c1ccccc1)c1ccccc1	68592466	NQLSOAVMVVOOQR-CYYJNZCTSA-N	412.429	6.322	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccncc1	408543384	OPDBQHIZUNBFMJ-UDWIEESQSA-N	410.477	5.227	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1	408738485	ZIMXLYCWRKLCQX-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c3ccccc23)c1	408771805	JFIHCCJUMVYTSJ-QJOMJCCJSA-N	418.496	6.273	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)cc2Cl)cc1	408789403	PULUEXLVHBYANC-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(F)c1	408809860	SIDRXQFVDJXHNP-GHUUQALQSA-N	422.500	5.015	50	40	HKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc2ccccc2c1	409243901	YUGOATLVBNQFCZ-RHANQZHGSA-N	421.475	5.746	50	40	HKGB	
CN([C@@H](CP(c1ccccc1)c1ccccc1)c1ccccc1)[S@](=O)C(C)(C)C	1988187930	OUMOIKKJQPXFKP-PWUYWRBVSA-N	423.562	5.255	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3C)o2)cc1	1096847	UPKBVARSWXVSDA-FOWTUZBSSA-N	406.869	5.853	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	2201044	ABPRHQJLVNCQOS-NTCAYCPXSA-N	409.898	5.617	50	40	HKGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3050495	RNBQAPJSGOEYSU-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
CCCOc1ccc(/C(Cl)=C(/C=O)c2ccc(OC)c(OC)c2)cc1OCCC	17217303	SOSMMCSSERKRQU-PTGBLXJZSA-N	418.917	5.587	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)o2)cc1	59137903	YMWFYIMOYBEXTR-WJDWOHSUSA-N	408.910	6.247	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)NCc1cccs1	59534427	LBDAXDKPHWIZMH-XYOKQWHBSA-N	403.290	5.538	50	40	HKGB	
Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4c(O)ccc5ccccc45)cc3C2)cc1	83318400	BMTPMPKOZNEVQU-MBTHVWNTSA-N	421.500	5.138	50	40	HKGB	
Cn1c2ccccc2c2cc(/C(C#N)=C(/C(C#N)=C(C#N)C#N)c3ccccc3)ccc21	100567906	ARDUXVLXGMTSEI-SLEBQGDGSA-N	409.452	5.633	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(F)cc1	301398209	FVJPVPUGILAKNB-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1	408720311	YMQBOBRQXPQSOG-CUVDRZIWSA-N	424.500	5.257	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	408786509	ROJBDLCVWVLDDW-ZHZULCJRSA-N	403.913	5.856	50	40	HKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408876767	NNXPHNHPDNJXNM-MKMNVTDBSA-N	419.706	5.355	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1)c1ccccc1	409044514	VPKLLJHSPWAEBH-GIJQJNRQSA-N	414.719	7.290	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1cccc2ccccc12	409359270	BAQNKBVJESBXTI-UQQQWYQISA-N	405.497	6.882	50	40	HKGB	
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)C(=O)Nc1ccccc1C	3058762	SYKFVHBUWYUMEK-YYDJUVGSSA-N	413.546	6.023	50	40	HKGB	
C[C@H]1C/C(=N\NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CC(C)(C)C1	6900873	KDAAGTMCXXKAKH-QGANWBKESA-N	414.549	6.351	50	40	HKGB	
Cc1ccc(-c2nc3cc(NC(=S)NC(=O)CCCCl)ccc3o2)cc1Cl	9906634	GPGYCCJNVSHCKR-UHFFFAOYSA-N	422.337	5.289	50	40	HKGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20132409	JJAXTJVIGRCWQI-CYBMUJFWSA-N	423.307	5.126	50	40	HKGB	
N#C/C(=C\c1c(-c2ccc(Br)s2)nc2ccccn12)c1ccccn1	55036868	PPDPSIMDJVLIGJ-ACCUITESSA-N	407.296	5.284	50	40	HKGB	
C[C@@H]([C@H]1CCC[C@H]1P(c1ccco1)c1ccco1)P(C(C)(C)C)C(C)(C)C	60291206	TXXOLTAZYVLMPD-IPMKNSEASA-N	406.487	6.941	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc([N+](=O)[O-])c1	107716460	RULPSASXDGXKKD-UNOMPAQXSA-N	401.378	5.146	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408749613	RECWIWMTYLINAT-FOKLQQMPSA-N	403.265	5.334	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c1	408799938	JNGGWAPGARFOGR-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408804035	CHLDQAHWIICVEE-HBVAFETKSA-N	403.309	5.855	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H](/N=C/c1cccs1)c1ccccc1	3304908	MCIGTKKMXJNQQA-UAGSDZEYSA-N	401.471	5.880	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	4544444	OOWCQSMHXSFKDD-CEZZIEKDSA-N	416.908	5.703	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1NC(=O)c1ccccc1C)c1ccc2ccccc2c1	5343867	LVSQWPJHGBTVCF-VUTHCHCSSA-N	421.500	5.555	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	9057387	DOKKWQIRKDRKDE-LFIBNONCSA-N	419.824	5.586	50	40	HKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccccc2)cc1OC	12952711	PTFLZUQWGHRCJH-QNGOZBTKSA-N	407.473	5.621	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C)c1	15226194	NUYRXGUNYUECKK-RRCLPCQVSA-N	418.537	5.185	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)NCc1ccccc1	59245226	DYJLDHUSVMSSDO-UDWIEESQSA-N	420.871	5.281	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1C	59245286	SGZJRNNVTUSTOA-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	100179638	RNQWIVVPLJWJET-VKAVYKQESA-N	420.494	5.874	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Cl)c1	408600104	UOKGATONAVFGJV-CVKSISIWSA-N	407.945	5.809	50	40	HKGB	
N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	408794374	IWRYQJCZFHTXAS-KPKJPENVSA-N	406.656	5.095	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	408838233	SXVOERIYXASGHV-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)s1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1	408963884	AOALSFTZLAXROL-CFRMEGHHSA-N	413.974	6.025	50	40	HKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)o1	1454135	ILHUYSYAIMACPN-NTUHNPAUSA-N	418.305	5.488	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	3139405	OIPYMLXTSCOERA-OGLMXYFKSA-N	410.517	5.820	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c1	7384527	BWOJLKLQZBJPGE-WPWMEQJKSA-N	414.553	5.075	50	40	HKGB	
N#C/C(=C/c1ccc(F)cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	44965672	MAOMQJWFMIWWPL-AUWJEWJLSA-N	408.841	5.773	50	40	HKGB	
CCc1ccc(N/C(SC)=C(/C#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1	71328719	QXQOPAABOLWWMY-QZQOTICOSA-N	414.596	5.488	50	40	HKGB	
C[C@H](c1ccccc1)N1CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2C1	102026085	QJCMPYCCQIBKQI-BEFAXECRSA-N	409.942	5.116	50	40	HKGB	
Cc1nc2cc(/N=C\c3ccc(N(CCCl)CCCl)cc3Cl)ccc2n1C	104158714	HHDIEDYCYTVSBA-CFRMEGHHSA-N	423.775	5.570	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C	223532065	FRMSWWNRPLPZQB-GYXHFJGISA-N	407.945	5.998	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1	408580571	CKXFWSPNCJCAHB-CIAFOILYSA-N	419.908	6.309	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc2ccccc2c1	408722586	LHZJLYDOAGNPBV-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1	408744786	HEBWQYIPLBKUKF-AQTBWJFISA-N	405.885	5.302	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccco2)ccc1OCc1cccc2ccccc12	408758434	JYFZMWOLFJRIDG-WGOQTCKBSA-N	414.461	5.174	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c1C	408962195	XECOKQONCWGDNF-XKZIYDEJSA-N	408.467	7.048	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCCC	409073347	HAWHZIUXSQHPJW-XMHGGMMESA-N	424.928	5.802	50	40	HKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1	4697655	KJJBUOUYHQQGTQ-JMIUGGIZSA-N	407.720	5.471	50	40	HKGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	5739023	VZCQDPPSNGWZGM-VFKGCLKRSA-N	417.512	6.097	50	40	HKGB	
Cc1ccc(/N=N/c2ccc(O)c(/C=N/NC(=O)c3cc(Cl)ccc3O)c2)cc1C	9057587	AMTZKVDJADFZMZ-HDARYGDVSA-N	422.872	5.547	50	40	HKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	9289402	QIPPQASYOAQDGE-WSDLNYQXSA-N	417.690	5.055	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	96466232	IDKVGMDMCVKHOK-KQWNVCNZSA-N	411.549	5.615	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	108845435	RMXUNEPDOZBECH-STZFKDTASA-N	400.434	5.637	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	137154756	UBZAWIDKXYCSNJ-XSFVSMFZSA-N	416.452	5.267	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)c3ccc(Br)cc3)cc21	208450352	QFGQDWYXKSPSMQ-ODLFYWEKSA-N	407.355	6.453	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OC(C)C)c(OC)c2)cc1	408582111	LWMGCCBBRHFXSC-CXUHLZMHSA-N	402.288	5.318	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)cc1	408740912	DYZYSDNMLLTEAE-XLNRJJMWSA-N	412.537	5.486	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)c1	408783685	OLRLQFWNUXTTIW-ATVHPVEESA-N	406.869	5.933	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1C	408885879	GGXSDHPDKLXWQJ-XMHGGMMESA-N	407.470	5.408	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1Cl	409018409	WRRWGGBPTDSTQO-ZMOGYAJESA-N	401.293	5.699	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	409361420	HDZNMJYKJFGJEZ-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2C#N)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152116	NCRGHZLLZWHVCJ-LFIBNONCSA-N	424.485	5.176	50	40	HKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=C\CBr)[C@@]4(C)CC[C@@H]32)C1	123439868	NLDPKKXGYUXOJP-WCYJCRKOSA-N	423.435	6.282	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc21	208471219	DCXONMUJKHNGNB-GRSHGNNSSA-N	419.956	6.134	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3cccc(Br)c3)cc2[C@@H](C)CC1(C)C	223576438	FDBFBZNPPOFYEH-BCUAHEQISA-N	423.398	6.934	50	40	HKGB	
CC(C)N1c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2[C@H](C)CC1(C)C	260568077	NHJHQSJAMXDJEX-LNIIIOKPSA-N	403.526	5.697	50	40	HKGB	
CCOc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)cc(Br)c1O	408599178	PQZACRKHCGEKTA-KPKJPENVSA-N	416.300	5.086	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1ccccc1F	408878291	ZQPWWGOFMMQADS-XDHOZWIPSA-N	404.416	5.110	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	409206367	NLVSJEOJCYJSKO-GLYRRZRCSA-N	406.489	5.005	50	40	HKGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409389534	BWYZXOSDJKMGAQ-SXGWCWSVSA-N	400.247	5.063	50	40	HKGB	
CC(C)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@@H]3C)o2)cc1	1454077	ZWVDWIJQSRTBGO-GQLGXDEASA-N	406.482	5.152	50	40	HKGB	
C/C(CC(=O)Nc1cccc(C(F)(F)F)c1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	5289059	OTDQYCGQNYUGQX-MZJWZYIUSA-N	419.447	5.137	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	5953637	GOLKDGKLMMIZDI-AQTBWJFISA-N	420.553	5.932	50	40	HKGB	
CCN(CC)c1ccc(C(=O)N/N=C/c2c(-c3ccccc3)n(C)c3ccccc23)cc1	6318363	VIAZQJDJLQVYTH-TURZUDJPSA-N	424.548	5.455	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	107780337	LZHYEOWHNUEDIA-OQKWZONESA-N	422.525	6.797	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(=O)O)c1	108132555	LPQPORLWKLUZSG-KAMYIIQDSA-N	424.865	5.328	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	209400512	HCWUBHKTHLPUJH-FYJGNVAPSA-N	404.307	6.401	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc(C(=O)O)c2)c2ccccc12)c1ccc(C(=O)O)cc1	408543220	NTIHYBVVULKQCU-BKUYFWCQSA-N	422.440	5.150	50	40	HKGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408719899	OXGDSRSHGBWFTL-STPJHCLOSA-N	424.953	5.550	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408819876	YOBQNFASPCDHQN-ZJMLWWGNSA-N	403.309	5.855	50	40	HKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1	408984556	RWEYCQDVGPHTDR-WQRHYEAKSA-N	404.853	5.657	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	409007395	OJNLVOZSSYWYIL-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)NC(=S)N1	409368388	SUUXYDJDSJGCNH-LJQANCHMSA-N	411.958	5.262	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc(C(C)(C)C)c1O	4063555	AOFQSHUROYPXJC-WPWMEQJKSA-N	417.553	5.542	50	40	HKGB	
Cc1ccc(OCCOc2ccccc2/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	4182058	VOUKPPNZMZQNBE-LTGZKZEYSA-N	400.434	5.425	50	40	HKGB	
N#C/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1nc2ccccc2s1	4525433	MHYRQPKAGFFTJH-LDADJPATSA-N	407.498	6.421	50	40	HKGB	
C=CCc1ccccc1OCCOc1ccccc1/C=N/NC(=O)Nc1ccccc1	5725894	AFNDNUYLIQZXHA-LGUFXXKBSA-N	415.493	5.029	50	40	HKGB	
C/C(CCC(C)C)=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1	6563641	CZJDLLIZYGMXQV-LFVJCYFKSA-N	411.596	6.131	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2ccccc2F)c1OCc1cccc(C(=O)O)c1	6762401	AUYNRVFYIUVTHC-UYRXBGFRSA-N	403.409	5.176	50	40	HKGB	
N#C/C(=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1)c1ccccc1	9259355	VZULXDPQUVPAPP-GXDHUFHOSA-N	416.727	6.911	50	40	HKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@H]1c1ccc(Cl)cc1	19815931	HEVWJPLZDVHWGD-GOSISDBHSA-N	410.926	5.099	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc2c(c1)OCO2	20620099	ZZRHWCXAZIOJKT-LICLKQGHSA-N	419.868	5.022	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	59432859	HRXIIXCIIZVADL-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc(C(F)(F)F)cc1	408930816	CJPSKJFJHYBOKE-PTNGSMBKSA-N	406.329	6.579	50	40	HKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)c1ccccc1	409082249	INUMELSZBQQJNU-MHWRWJLKSA-N	421.796	6.013	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1	409201201	KNBQQKQPGLBPHS-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
N#C/C(=C\c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12)C(=O)N1CCCC1	409372457	LYLRMXZHXRMDCN-FOWTUZBSSA-N	424.331	5.526	50	40	HKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1cccc(F)c1	409393001	OOYZZPVTCPEVIV-ODLFYWEKSA-N	408.270	6.231	50	40	HKGB	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c2ccccc21	2670691	OLBLDZNBTKJQBB-UVTDQMKNSA-N	409.276	5.407	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Cl)c([N+](=O)[O-])c1	5777223	PTZAQXBQFWMBGN-ZMOGYAJESA-N	403.825	5.319	50	40	HKGB	
Cc1cc(O)c(/C(=N/NC(=O)c2cc3ccccc3n2C)c2ccccc2)cc1Cl	6571374	CBCKSGFENZNJFZ-WNAAXNPUSA-N	417.896	5.028	50	40	HKGB	
O=C(COc1ccccc1)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	57476936	PCKFCLNFWPFUGC-RMORIDSASA-N	423.683	5.436	50	40	HKGB	
Cc1ccc(C2=NOP(c3ccccc3)(c3ccccc3)(c3ccccc3)C2)cc1	104204471	BLVUTKLBTKKXAF-UHFFFAOYSA-N	409.469	5.174	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1	105863029	AAZFYMFVJPUIIC-SILNSSARSA-N	410.945	6.625	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1	208248145	ALSMAUPVVGGSPP-PMFHANACSA-N	407.945	5.916	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2C)cc1	408743611	BLHWZSAQESRPNK-HKWRFOASSA-N	415.493	5.047	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Br)c2OC)cc1	408798791	WYJDRFKEYDTTLE-RIYZIHGNSA-N	419.706	5.219	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408802279	YUYZVVUEOUOLMZ-HGQNTKQHSA-N	424.544	6.021	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408812368	MUTNTWPOGIDGBZ-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1cc2ccccc2o1	408856575	JCRJNCGYELGUJB-QFEZKATASA-N	404.853	5.429	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1ccccc1F	408867996	LYSVGGHQOGWHBH-HYARGMPZSA-N	414.480	5.669	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cc(C)cc(C)c2)cc1	408885678	DRSLJSRTPRZEJZ-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccn1	409246124	FHNLOPOFPKRBJO-YBEGLDIGSA-N	411.292	5.342	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)CNc2ccc3ccccc3c2)cc1	3113354	GINFMTUUKKNVRF-OVVQPSECSA-N	402.542	5.028	50	40	HKGB	
CN1C=C(C(F)(F)F)C=C/C1=C(/C#N)c1nc2cc(C(F)(F)F)ccc2s1	3192604	ZWEIGFJEMUMRNP-ACCUITESSA-N	401.335	5.498	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1C	4923356	QPLWBFDAXUFWJE-JOCHJYFZSA-N	417.578	5.646	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1	8721977	UJDRQNZDXREOBS-GHRIWEEISA-N	416.889	6.233	50	40	HKGB	
CN(C)c1ccc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br	9311775	JMDCJIKHHBJTTQ-WQRHYEAKSA-N	420.310	5.214	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)c(C)c3)o2)c1	58832631	HXZYFTOTVYWTFW-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
COc1cccc(C(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)c1	83294489	HLUFABNKRYARCH-PKAZHMFMSA-N	410.473	5.191	50	40	HKGB	
CC(=O)Nc1cccc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)c1	106171448	GOBFIWVZTOCAOB-JFLMPSFJSA-N	424.504	5.174	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1	208241354	UHLJLAZVKSCRJK-DISPHTKASA-N	423.944	5.616	50	40	HKGB	
O=C(CCl)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Br	226328390	HPBWQLYFLNJXSS-UHFFFAOYSA-N	400.059	5.088	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)c1	408744017	JDNXLPXWOKTPFQ-JAIQZWGSSA-N	414.534	5.498	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(CSc2ccccc2)cc1	408785656	AKHVJMPMSMKOKQ-UHFFFAOYSA-N	422.638	7.369	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC	408799550	ZUZQWKJHFOSHGU-WOJGMQOQSA-N	410.901	5.466	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408803188	MFTPTDVRKLHEPA-OQLLNIDSSA-N	419.308	5.645	50	40	HKGB	
CCCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409043164	ZWAHEPAGOAJZEM-USHMODERSA-N	423.516	5.845	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	409203158	VONDVIRDXCOVHV-KOEQRZSOSA-N	419.484	6.734	50	40	HKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)c1ccc(I)cc1	409368668	GYENXKUSQPYYKN-ZROIWOOFSA-N	409.654	5.407	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@H]2CC/C=C/CC/C=C\CC[C@@H]12	713618	CXSVWIBMCMBREG-ADHADEHFSA-N	401.348	5.228	50	40	HKGB	
N#CC(C#N)=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	843495	BCBSXPBUDVALAK-UHFFFAOYSA-N	416.440	6.150	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1	2849206	GASGKVIJFSJXMU-CPNJWEJPSA-N	418.880	5.430	50	40	HKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c1	4063842	LCNHVZOUTTURHA-SAPNQHFASA-N	409.942	6.619	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)cc1	6473561	MFLQKFOCIVJSFX-XQNSMLJCSA-N	409.916	7.445	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	13586171	COXGOIDJNXYKHP-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(CC(C)C)cs2)ccc1OCc1ccccc1	28296536	KUEXTHIWMRIVRJ-UDWIEESQSA-N	404.535	5.993	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)cc(C)c1OCc1ccccn1	32922431	GBLIYVPFAVBKDQ-WOJGMQOQSA-N	409.411	5.755	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc(Br)c4)o3)[nH]c2c1	33761854	IXCYPWRQTDFFBU-PTNGSMBKSA-N	404.267	5.958	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc(C#N)c2)c1)c1ccc(C(F)(F)F)cn1	40139846	VYROCMKOVFAAFG-VXLYETTFSA-N	405.379	5.615	50	40	HKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1	226341119	VIJWSZBEMIBJHS-SNAWJCMRSA-N	404.062	5.599	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)c1	408742809	CCDUCNBNFYXNDD-MOSHPQCFSA-N	413.433	5.028	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cccc(Cl)c1	408767391	WQXJWQCHDZJDMF-WQRHYEAKSA-N	411.730	6.574	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OCC	408790846	RJRCJJBBTFYRGB-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408795009	KTPJXRNAWXGDBK-AWNIVKPZSA-N	409.700	5.900	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)c1	408795708	VZBHYZWKPOWDKG-XNTDXEJSSA-N	418.324	5.394	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)c1	408925511	RSXDARFGKYYQLX-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	409012042	IONPYZRPZRCMSC-QENILXLESA-N	423.727	6.370	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(Oc3ccccc3)cc2)cc1	6489138	FLRHLCBVOWBNMD-SILNSSARSA-N	412.445	5.201	50	40	HKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(Oc2ccccc2)cc1	20243977	FFATXSJBWASJLQ-ZMOGYAJESA-N	415.276	5.315	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1	25524605	PZJUVIFVZNWEKZ-XDHOZWIPSA-N	424.422	6.142	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cc(Cl)ccc1Cl	33579549	RDVVFKOPGMECSR-MHWRWJLKSA-N	407.304	6.341	50	40	HKGB	
COc1cc(-c2csc(/C(C#N)=C\c3cc(OC)c(OC)c(OC)c3)n2)ccc1C	39383877	GHVKMPDXEJIMIB-IUXPMGMMSA-N	422.506	5.217	50	40	HKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	59473751	LVPWNVCDUZKXIQ-STPJHCLOSA-N	424.953	5.550	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc2[C@@H](C)CC1(C)C	223548416	XOLKMDZKNTZSEJ-BCUAHEQISA-N	423.398	7.014	50	40	HKGB	
COc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	226327487	MRALDGWKSRTWEL-UHFFFAOYSA-N	424.505	5.723	50	40	HKGB	
C#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408830681	PSKSELPWERJYRK-HAVVHWLPSA-N	422.484	5.132	50	40	HKGB	
COc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408866523	HTZBKJIGRKMXOS-YBFXNURJSA-N	418.880	5.473	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1ccccc1Cl	408868639	AMIQHNMWPCDGQR-DEDYPNTBSA-N	402.881	5.485	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc2ccccc12	948733	IXBRCQNNIBBTSH-OQKWZONESA-N	418.452	5.605	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)c(C)c1	4047928	JLNCFDOZWPTMKG-MYYYXRDXSA-N	419.528	6.410	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1cccc(Cl)c1	4342263	ZBWCFXYMMDYFJM-WOJGMQOQSA-N	415.880	5.868	50	40	HKGB	
O=C(NNC(Nc1ccccc1)=C(c1ccccc1)c1ccccc1)c1ccccc1	4455849	XZOUUEFCCTYBJM-UHFFFAOYSA-N	405.501	5.450	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1	8381276	IBPCVSLUEVXLKZ-XLNRJJMWSA-N	404.469	5.964	50	40	HKGB	
C/C(=N\NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(C2CCCCC2)cc1	12562145	NZBYGSVQANVIAX-LQKURTRISA-N	417.475	5.705	50	40	HKGB	
CCCOc1cc(Br)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	108258055	VNJORLYGBFYXDG-OQLLNIDSSA-N	417.259	5.219	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc21	208448434	HSCJNWHEPPFWGZ-ZDLGFXPLSA-N	405.929	5.826	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)cc1	252489935	KFCYQWWMCQHIEA-DTQAZKPQSA-N	421.294	5.817	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1	408582981	QHULYJOKNNKDPR-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1cccc(Cl)c1	408601879	LWRXVIDEXKNHTH-ROTLSHHCSA-N	417.267	5.475	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(F)cc2)c1	408869206	PPMYOXMHHPWKAM-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408939918	IWNTZDRKKXQHGB-QGNWGPJTSA-N	415.287	5.137	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cn(Cc2cccc(C)c2)c2ccccc12	408995122	JEWIOFIEXCJRRJ-JFLMPSFJSA-N	411.505	5.079	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OCC	409065959	LDMCDESFYCEHAI-RCCKNPSSSA-N	402.494	5.233	50	40	HKGB	
CCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	1445045	FURUYRXHOORCNG-FQEVSTJZSA-N	409.942	5.428	50	40	HKGB	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1	2133819	ONQMUCBXFXBDBS-PMACEKPBSA-N	408.586	5.138	50	40	HKGB	biogenic
O=C(Cl)/C=C/c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Cl)o1	57327623	AYMZPKXBDYVTIU-DUXPYHPUSA-N	414.004	6.160	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1	408567050	CMLPPXXEIVEUAK-BOPFTXTBSA-N	414.396	5.253	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1	408580693	QXBXFXAWMQKZEB-KGENOOAVSA-N	419.502	5.144	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C	408599790	ZTZXNAZZJBQSEL-ZDLGFXPLSA-N	407.857	5.729	50	40	HKGB	
CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc3C2)cc1	408734254	VSSJABVEQMKMOT-VULFUBBASA-N	419.912	5.023	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(N(C)C)cc1	408741636	RHNBNVHPDVQGJD-WPWMEQJKSA-N	410.521	5.077	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408807966	PKGQOQMWUUXDBO-RIYZIHGNSA-N	405.281	5.336	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1	408828914	MNGMTUDJMZNBNV-CJLVFECKSA-N	412.489	5.518	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Cc2cc(C)cc(C)c2)c1	408877933	YILMJJWDYDLGOE-MFKUBSTISA-N	424.544	6.065	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	2855127	UHHSORZAVBVNSN-GZTJUZNOSA-N	420.856	5.201	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccccc1Br	3092353	ROOQCAVGZWXQRH-ZVHZXABRSA-N	403.279	5.519	50	40	HKGB	
O=C(Cl)c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1	226317806	AAQUALFLKNPBDA-UHFFFAOYSA-N	418.017	5.132	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(OCc2ccccc2)c1	408816962	ZKIJTLFCKHJIJO-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408870107	UXVUYUCYDVFLBY-FYJGNVAPSA-N	416.908	5.799	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccccc1	408923381	IDNCXRVHSAEBLM-GZTJUZNOSA-N	420.856	5.201	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OC	408992269	SRHOBBUTVKWBIM-WQRHYEAKSA-N	410.901	5.330	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C1c2ccccc2-c2ccccc21	4402281	GWNJAIOVZLHZBX-UXHLAJHPSA-N	412.492	6.256	50	40	HKGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	9075497	NCBNEROKTCYGFD-ZSOIEALJSA-N	415.301	5.968	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(OCc3ccc(C)cc3)cc2)n[nH]1)c1ccccc1	13618463	ADEYWCLYDZZCPI-DIBXZPPDSA-N	424.504	5.118	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)cc1	20764191	AADRCDBANFDDKD-JVWAILMASA-N	411.505	5.161	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccccc1Cl	33794470	FVMTXTOJAPZFNF-SFQUDFHCSA-N	421.978	7.014	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(Cl)cc4)c4ccccc34)[nH]c2c1	35107345	MWXGCKIBCRZUGP-UYRXBGFRSA-N	422.919	6.592	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1cccc(C(F)(F)F)c1	59921984	JEJPGJIRHJDTBO-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12	107702020	RNXIHGZZHMHXOO-ONUIUJJFSA-N	408.929	6.216	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1	110346895	UCBMTVURBHZXAR-JZJYNLBNSA-N	410.945	6.625	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F	209487488	LEWHIGMMFUQBTM-CIAFOILYSA-N	421.899	6.829	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nc2ccc(F)cc2[nH]1	408567034	KJKYAGPVORTNCA-XFFZJAGNSA-N	408.776	5.588	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408726216	AIJDXPQXCPEIJV-ROTLSHHCSA-N	410.304	5.278	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1C#N	408740949	FLLBLVBNBDPZAK-HMAPJEAMSA-N	423.472	5.082	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Cl)cc2)cc1	408854052	WLQQITMCOMGDGR-PKAZHMFMSA-N	413.908	5.870	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1nc2ccccc2[nH]1	409042597	NROLZDNSHQDNNF-LICLKQGHSA-N	420.299	6.513	50	40	HKGB	
COc1cccc(CC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409098607	OKCLFLQOSGZKDS-IWIPYMOSSA-N	410.926	5.193	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409210012	JCKVALOTUCSFDX-LICLKQGHSA-N	412.276	6.373	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(F)c1)c1ccccc1	409242574	OTRSPWRWGOYXQH-OSVNEOKWSA-N	400.453	5.189	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1	4063762	LISBBNFQJIGSPU-XQNSMLJCSA-N	407.542	7.071	50	40	HKGB	
Cc1ccc2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c(Cl)nc2c1	7993745	FAIHEBOKOXMEIM-LSHDLFTRSA-N	404.322	5.092	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C	14134565	LKWXGVNEVIOMRW-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	17306465	QPTAJRAMKXUOSL-FOWTUZBSSA-N	409.898	5.617	50	40	HKGB	
COc1ccccc1C(=O)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1	32189074	QTNBRHJRKQIGEZ-PKAZHMFMSA-N	410.473	5.191	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)[nH]c2c1	33590727	BUQNTEMUBAQNEP-UNOMPAQXSA-N	410.433	5.423	50	40	HKGB	
N#C/C=C/c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103438723	WBMNWOYPEICART-ZHACJKMWSA-N	404.453	6.033	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1OCC	408543846	RVAWOXDWGCGPDD-LICLKQGHSA-N	407.901	5.861	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1-n1cccc1	408751622	AOAJENYTLAASLR-AFUMVMLFSA-N	424.287	5.808	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)Nc1ccc(O)cc1	408797727	SZRYYQINIWRLJZ-QGOAFFKASA-N	411.436	5.080	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1-c1ccccc1F	409024109	VWZLYTVFMJWUBC-ROTLSHHCSA-N	409.848	5.397	50	40	HKGB	
O=C(NNC(=O)c1sc2cccc(Cl)c2c1Cl)Nc1ccc(Cl)cc1	667476	YGKCCDCTIOOGFU-UHFFFAOYSA-N	414.701	5.328	50	40	HKGB	
O=C(N/N=C/c1ccccc1Oc1ccc(F)cc1)c1ccc(C(F)(F)F)cc1	4085031	BNGZBZMSQMGLPC-LGJNPRDNSA-N	402.347	5.401	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1cccc(Cl)c1	5739749	YXIGYBPZMCZZHU-VULFUBBASA-N	417.896	5.370	50	40	HKGB	
N#CC(C#N)=C(Nc1ccc(C(F)(F)F)c(F)c1)SCC(=O)c1ccccc1	5946384	ZAYPIGIODIQYCV-UHFFFAOYSA-N	405.376	5.131	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	28215871	GUDDPCSFANGHPB-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1	59291988	AYDWAEIBLNEPEL-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(OCC)c1	59336383	HBVQOBSPFNBRHB-UVTDQMKNSA-N	405.281	5.336	50	40	HKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	59514889	CXNJOCRTPIGKDR-OGLMXYFKSA-N	423.516	5.742	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)c1	408803488	PQFGRVSZWMMCAS-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)c(Cl)c2)c1C	408815949	JXKJSEPWAZASSP-UNOMPAQXSA-N	421.903	5.995	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1C	408933806	BLNYTGDBRVHALC-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(Br)c1	409008340	WEQMVOWEGFISSX-UCQKPKSFSA-N	411.299	5.155	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	2056719	AWGFBOMWGBKOJZ-HBPQNSOASA-N	414.549	5.790	50	40	HKGB	
O=C(Nc1cccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)c1)C(Cl)Cl	2576650	VNYRZRLECJXJRK-UHFFFAOYSA-N	416.091	6.058	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1ccc2ccccc2c1	4723120	MLYRHAXKPSVDHT-XSFVSMFZSA-N	408.413	5.344	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1	4775454	VQXATNUKEXNIJY-NHDPSOOVSA-N	403.663	5.126	50	40	HKGB	
Cc1cc(N(C[C@H](C)Cl)C[C@@H](C)Cl)ccc1/N=N/c1ccccc1C(=O)O	5552629	JQPLQOXRRNSXTM-UXRJGGBKSA-N	408.329	6.170	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc(OC)c1OC	5797374	MYSXGSXNCVQJAU-FOWTUZBSSA-N	407.495	5.121	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1sc2c(c1C#N)CCCC2	9160842	YARNGUZODULFAU-LDADJPATSA-N	423.545	5.847	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1	100728293	XNPDGZRQEXCSGI-RAXLEYEMSA-N	400.276	5.688	50	40	HKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)cc1	104081108	YIQWOHBVPXOAHK-DEOSSOPVSA-N	414.574	7.013	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCC(C)C)c(Br)c3)[nH]c2cc1C	408603788	HEVARLSAUFAQGU-RQZCQDPDSA-N	424.342	6.041	50	40	HKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1	408746141	RFTQVSXOJYLGIZ-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1C	408799725	IAIITHNHCZVXET-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1cc(C)cc(C)c1	408869741	UABZSAPWQHNCHJ-ZVHZXABRSA-N	410.517	5.757	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Cc2ccccc2Cl)c1	408877126	QDCFWSATTXTYFD-XDHOZWIPSA-N	418.880	5.191	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc2ccccc2c1	408881998	MTGKGGHWRPRXTR-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1ccc(Sc2oc(/C=N\NC(=O)c3cccs3)cc2Br)cc1	408911932	OZULXIAWSBAJPH-GRSHGNNSSA-N	421.341	5.327	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	409375040	DNPIIJXHPPLVMY-ZROIWOOFSA-N	400.265	5.349	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC	409378216	NPJWZIIUVMBICU-KSXCTLEASA-N	424.928	5.372	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)c1ccc(-c2ccccc2)cc1	1904989	MPLHVNCUFNEVHA-TURZUDJPSA-N	406.485	5.697	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C(=O)c1ccccc1	6049167	OLPBCKDZQPDNGR-RCCKNPSSSA-N	415.452	6.075	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1	9668266	ZRMRBFPZLPURRI-FOWTUZBSSA-N	412.283	5.190	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59473511	IBHAIPYPPNJHOT-CVKSISIWSA-N	422.981	6.520	50	40	HKGB	
Cc1cccc(C)c1NC(=O)CCC(=O)N/N=C/c1c2ccccc2cc2ccccc12	59483831	UOOMKBGUHBDLRS-OGLMXYFKSA-N	423.516	5.479	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc2ccccc2s1	107617992	ZIZZBEKXTAROCP-SDNWHVSQSA-N	405.460	6.121	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3C)c2C)cc1Cl	408734175	FEXXVPPSGTXMFM-CIAFOILYSA-N	417.940	6.218	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1	408798626	WEHMPZGJRVADKS-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)o1	408799418	ZAGABWKLIGZOBM-LFIBNONCSA-N	417.421	5.026	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1cccc2ccccc12	409177139	BUCCHXASPQEHCD-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)Cc1ccc(Br)c2ccccc12	4615425	PXSAJJOWKDKKQL-QFGKKJBMSA-N	407.311	5.350	50	40	HKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2)c1OCc1ccc(Cl)cc1	4679624	VAIKWZQJCAMGCL-RGEXLXHISA-N	418.880	5.473	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1	5579755	APKIDACMGFVSFB-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(CC)cc3)o2)cc1	6410830	BNMFAWLGZMBUTJ-HMMYKYKNSA-N	414.461	5.231	50	40	HKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9445034	AGFXUFDRBQLPKF-UKTHLTGXSA-N	420.752	7.055	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	13914128	WPHBURHORSUCLG-CPNJWEJPSA-N	422.406	5.830	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1c(Cl)cccc1Cl	16439519	JKNRESBGKOHNCS-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1c(C)c(C)c(S(=O)(=O)N/N=C(/CCCCl)c2ccc(F)cc2)c(C)c1C	17094246	RZNLAMLDFPQULG-GFMRDNFCSA-N	424.969	5.069	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	20763979	VUSGBPCNCOXQBN-FSJBWODESA-N	403.265	5.416	50	40	HKGB	
C/C(=N\NC(=O)c1cnc2ccccc2c1)[C@H]1CC2c3ccccc3C1c1ccccc12	68759116	WPURMBJJFQXSPM-GEYADUGNSA-N	417.512	5.638	50	40	HKGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc(/N=C\c2ccc3c(c2)CCC3)cc1	104224828	RTABLUCXUILMBO-SZVCAHDZSA-N	407.517	5.179	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2)CCCCC1	225533888	TZKOTIMGVFVGON-UHFFFAOYSA-N	402.332	5.301	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccc(C)cc1	408544715	XALXHPBORLBVEY-LPYMAVHISA-N	423.516	6.140	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc2ccccc2c1	408804131	WEUJEZKZSWMNDQ-UFLANDHLSA-N	411.549	5.849	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c1C	409005948	GPZBCXDZVOGUCX-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3cccc(F)c3)cc2Cl)c1	409393296	PSVSPOSIOCHANM-OCKHKDLRSA-N	412.291	7.084	50	40	HKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	100230499	KXNCQRGGNKGHDE-MPMWGROWSA-N	412.533	5.695	50	40	HKGB	
ClCc1ns/c(=N/C(=N/c2ccccc2)c2ccccc2)n1Cc1ccccc1	103653658	YCZGSXMOOVBRBP-FXMCMDAWSA-N	418.953	5.411	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)c(C)c1	216038575	ZASWTVOBHSGFAE-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(=O)O)cc3)c2C)cc1	408543121	PDPLUFINFLRFQX-KQWNVCNZSA-N	413.521	5.703	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1	408765395	PIHCNAWJMBJDHO-LFVJCYFKSA-N	404.469	5.964	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408812268	LMELZIGLLMSTBR-FOWTUZBSSA-N	417.421	5.026	50	40	HKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408915259	XNIJKAFXDKUXDP-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409236899	GRRDLDSBIZOKJS-BRJLIKDPSA-N	418.299	5.233	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cccc(-n4cccc4)c3)cc2)cc1	409248839	RMRIQHGSGNSRAW-ITYLOYPMSA-N	411.530	5.701	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc2ccccc2c1	409393790	SDXKQXXUCSPMLF-CFRMEGHHSA-N	409.460	6.631	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)ccc1Cl	910202	ADIXMLABXHXDSA-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1cccs1	4502786	AEQWYUIVFPIGGB-HYARGMPZSA-N	400.956	5.848	50	40	HKGB	
COc1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4C)c32)c2ccccc12	8382700	OKRLBKLJUFTQOW-QFIPXVFZSA-N	422.488	5.074	50	40	HKGB	
CC(=O)Nc1ccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	100083908	WEFROUNZTZAAPC-ZHZULCJRSA-N	416.550	5.944	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)cc1	100860064	DOORJHLVWMTJDG-ATVHPVEESA-N	424.367	6.420	50	40	HKGB	
COc1ccc(CC(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1	223517769	KDIZDVZDJPRCFA-YUMHPJSZSA-N	419.569	5.107	50	40	HKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1cccc(Cl)c1Cl	408691711	NCDKKNMZKDRVJR-BOPFTXTBSA-N	421.331	6.358	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1	408800868	RPGPHAJVPCMNTM-AOHITCTBSA-N	411.288	6.038	50	40	HKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	408878188	XROIAYCEDHJNRS-VGOFMYFVSA-N	419.706	5.355	50	40	HKGB	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409045065	YABHBTGQSURVQO-VZUCSPMQSA-N	415.198	5.566	50	40	HKGB	
CC[C@H](Br)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	4481481	ACBXGPKCEZZEFQ-FQEVSTJZSA-N	406.323	6.212	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C)c3ccccc23)c1	6044703	HBVPFCBNAHOTPH-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1	28216449	BJEAKTQWWXHGOB-PTZPRWATSA-N	411.958	5.378	50	40	HKGB	
CSc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	58919253	XDVIFCMMFDIQID-ZVHZXABRSA-N	404.560	5.362	50	40	HKGB	
ClC/C=C/c1ccc2ccccc2c1-c1c(/C=C/CCl)ccc2ccccc12	95612004	VYCZCXBOJCSGIP-NXZHAISVSA-N	403.352	8.164	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc2ccccc12	408767112	VWCVXOKGSCIFLN-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1	408851254	WWOKHBWKGICTDF-CIAFOILYSA-N	408.328	7.253	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(F)c1	408967026	OVJKMGLKWOCQRK-VROXFSQNSA-N	402.212	5.028	50	40	HKGB	
C=C(Nc1cc(C)ccc1N)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])c(C)c2C)o1	6255789	KOQASJPPBQWVAH-LDADJPATSA-N	414.465	5.895	50	40	HKGB	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1	9281579	VZXZHLJQLDHHSQ-ACCUITESSA-N	416.418	5.010	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2s1	34700958	VXSAPYGTGXRDPP-GXDHUFHOSA-N	423.450	6.260	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1	35229615	IXUVXBDZMZQNJK-UYRXBGFRSA-N	413.452	5.744	50	40	HKGB	
Clc1ccc(Cl)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1	97971337	KXRRSCRDWYRZTD-UHFFFAOYSA-N	422.315	6.488	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1C	408795639	LUSIJGZUBGMLHP-MHWRWJLKSA-N	421.840	5.671	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccccc2Cl)c1	408880326	HHYHTVYZFACQLP-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(N(C)C)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408965005	FITPPYJMRNMRAY-WPWMEQJKSA-N	416.569	5.222	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)cc1OCC	409051901	OIQVZQKPNZDRPP-FSJBWODESA-N	407.297	5.029	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3115598	CFMKSHTVTCFBSE-VULFUBBASA-N	423.299	6.099	50	40	HKGB	
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl	3174985	KTJHDMCYBIIMQH-CAUYNWHBSA-N	413.304	5.578	50	40	HKGB	
N#C/C(=C/C=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13765640	HNMRPSNUYCDWFP-QOSQHLEFSA-N	404.407	5.247	50	40	HKGB	
CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	17113288	YSPVXTRETJLMJT-LDADJPATSA-N	421.497	5.739	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c1	28216708	SMEXUMYQEFVYHQ-YNYZQSIGSA-N	419.594	5.483	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1	59515765	OLPKIAJAFVEPIN-UHFFFAOYSA-N	412.361	5.709	50	40	HKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(F)cc1Cl	217711219	BLBWLJGFCJMGHL-UHFFFAOYSA-N	422.077	5.598	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)[C@@H](N=C=S)C[C@H]32)C1	253616844	OTQCKYVOOJVJQT-LWUQEPOISA-N	415.599	5.167	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408539581	XSPDFKSMDSGQRJ-XSFVSMFZSA-N	410.945	6.462	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c(C)c1	408759999	PRYAWZSKVVZBAR-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
CC(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(C(C)C)c1O	408843007	CVAASMSMLGTVFT-LZYBPNLTSA-N	416.443	6.203	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1	408941569	XCESCVKIMPJBET-UNOMPAQXSA-N	420.871	5.912	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(Cl)cc1	408963401	NUMUGWWTRJNAQN-ZRGSRPPYSA-N	419.834	5.530	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1C	409065546	TWGBOCAUUDGLTD-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1	12363867	NNEZCJVRKYHFIB-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc2cc([N+](=O)[O-])ccc2s1	33786506	GFRLMTPGCOKMJD-OEAKJJBVSA-N	417.446	5.366	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br	33786543	ZUEJQRRYMDZKCT-NWRYFCBHSA-N	400.272	5.389	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21	208259081	AYRSNLJGLBWVLB-IDFPFIHXSA-N	409.917	5.572	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2C(C)=CC1(C)C	208517392	UBGBEWQKHYEEPS-UNOMPAQXSA-N	419.956	6.216	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1	408599232	QIXWNCYYCYRQCK-XDHOZWIPSA-N	404.926	6.281	50	40	HKGB	
N#C/C(=C\c1ccc(Br)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408788088	AYWSXLQOAGFNAA-FOWTUZBSSA-N	423.266	5.167	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)c(C)c1	408788205	JCDWIWKUKNPNQV-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1	408816663	JZCQKOSPJATMCB-YKQPFYATSA-N	412.449	5.040	50	40	HKGB	
CCOc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2c(C)cccc2CC)c1C	408850179	HOYZQBUHYLGASW-QQXSKIMKSA-N	418.541	5.519	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	408873029	LXZPPHPUPQQLTL-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)o1	408959946	AZCIWNOICOYYCY-PTNGSMBKSA-N	406.825	5.152	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1ccc(OC)cc1	409019343	YUMQJMCUAMALOS-XYGWBWBKSA-N	422.550	5.270	50	40	HKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	409050147	ZKTUTVLEVWRWNV-MKMNVTDBSA-N	423.727	6.227	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2ccc(C#N)cc2)cc1	4106942	DYXAGKSCEAACGH-MTDXEUNCSA-N	404.473	5.088	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	6160329	QRSIQOJHCHSRNS-KWZJRMENSA-N	410.315	5.875	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	6160346	QRSIQOJHCHSRNS-FBKCMUNRSA-N	410.315	5.875	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2cccc3ccccc23)cs1	11853115	MZMNGCSTZHECSE-NTCAYCPXSA-N	416.437	5.987	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1	33643931	DTHJNXZUDYVXEH-PDGQHHTCSA-N	404.397	5.386	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[nH]c2cc1C	33685736	GWGQVYYMTXMWLP-NTEUORMPSA-N	418.840	6.066	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1Cl	408735373	QULFMBWEMUEIDG-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1	408746473	ZLTZUQIFQFSTJE-JWGURIENSA-N	411.505	5.513	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1C	408791801	CRJHXEHJZDKPGP-FYJGNVAPSA-N	400.453	5.567	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccccc2F)c1	408883111	SUQNIQIDKJGCIL-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	409132506	JWCHJKLVCGURSM-YYHBXHNPSA-N	419.594	5.650	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)c(C)c1	1768713	HRVQROLONALTFW-LFIBNONCSA-N	424.367	6.474	50	40	HKGB	
CCn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc21	2132193	SGHQQMUDNRLWQA-HSZRJFAPSA-N	411.505	5.265	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	8326097	PAMRPZYFNVUNDW-KWZJRMENSA-N	414.889	5.080	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc5ccccc5c4)c3C)[nH]c2c1	33659431	BAFNSSKRZNPCJP-UCQKPKSFSA-N	402.501	6.496	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2cccc(F)c2)c1C	107976436	HCTCGITWVKCAIQ-JFLMPSFJSA-N	415.468	5.159	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)[nH]c2cc1C	408543383	OOAPBFZMJWYNTO-MOSHPQCFSA-N	420.491	6.386	50	40	HKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1ccc2ccccc2c1	408552362	RZXKMLADTVKNSA-ZDLGFXPLSA-N	408.251	5.130	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1	409000977	ZKOVVFXXHFKVOR-QJOMJCCJSA-N	400.522	5.350	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc4c(cc3C(C)=O)OCO4)n2)cc1	1814610	XRNJENRZEIQHIO-GZTJUZNOSA-N	417.490	5.280	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	59137447	LWWZKDQMBZHFPL-PDGQHHTCSA-N	409.411	5.659	50	40	HKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCC(c2noc3cc(F)ccc23)CC1	79479130	KVAFTUJHEJECDF-MRXNPFEDSA-N	408.564	5.387	50	40	HKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC(=C\c1ccccc1)/C2=N/NC(N)=O	118934623	FXHMNWXVLOBPTJ-VIVJBLPASA-N	419.613	6.137	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1C#N	408549552	URPSYGNJRJYUHY-PKAZHMFMSA-N	423.519	7.087	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(C(=O)O)cc2)cc1OC	408583017	QXOCHMLDVDUHLF-FYJGNVAPSA-N	415.445	5.045	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Cc2ccccc2Cl)c1	408877650	XECCBVAXOHGAKF-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)c1	713575	NGDJLEIYJKTIQV-QFIPXVFZSA-N	401.485	5.075	50	40	HKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1	1176448	PMGBLKJDSQYTKK-OQLLNIDSSA-N	406.825	5.152	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)COc2cccc(Cl)c2)cc(C(C)(C)C)c1O	3162562	GEJBWNAGXLTWJX-DHRITJCHSA-N	416.949	5.170	50	40	HKGB	
CCCCC/C(=N/NC(=O)c1ccccc1I)c1ccccc1	4348776	CLENMAHZXAHRFV-UZYVYHOESA-N	420.294	5.006	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1F	5577581	BBRFYGUZOZZDBP-MHWRWJLKSA-N	413.279	6.330	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)C	59117435	ZEPDBRKLCWITSY-RIYZIHGNSA-N	405.281	5.335	50	40	HKGB	
Cc1ccc(O)c(/N=C/C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1	59192699	DQFAYICSAKZOQH-TURZUDJPSA-O	410.477	5.397	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(C)c1	59201050	LZZVVMLPNFUKOD-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	59473765	XCIGEVFKXODHJV-JJIBRWJFSA-N	419.506	5.182	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1OC	96398833	DAMBVUWUKOLXBP-GHXNOFRVSA-N	401.285	5.140	50	40	HKGB	
O=P(Cl)(C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2	102130171	VMODRLNZYUOOIR-NNLVCKLMSA-N	421.776	7.164	50	40	HKGB	
Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1	104086501	XTXUHPNWVQMXII-UHFFFAOYSA-N	423.323	6.220	50	40	HKGB	
Cc1cccc(C[PH](C/C=C/c2ccccc2)(c2ccccc2)c2ccccc2)c1	104186937	FLJNUUWXDJJZNB-SFQUDFHCSA-N	408.525	6.609	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(Cl)c3)cc21	208249673	QHODPRLTYCZLHL-LFWZTCNZSA-N	404.341	5.479	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)cc21	223502900	UIWLZXHCLNDJRE-AFUMVMLFSA-N	420.513	5.077	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1	408580362	OVYLRNGVXJYHAT-YBFXNURJSA-N	410.300	6.645	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Cl)c(Cl)c1	408585909	KCCVPBQTNHERPJ-ZDLGFXPLSA-N	414.719	7.290	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl	408744926	OBHVUNIPGVMNOH-GDNBJRDFSA-N	417.292	5.503	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccc(O)cc1	408796430	OWEDHHVXPMYUCL-HZHRSRAPSA-N	420.468	5.670	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408801800	BTMWEXHRNANRON-UYJDUNLRSA-N	422.532	5.163	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Cc2cccc(F)c2)c1	408873388	QGEMXCNMMOJKLC-KGENOOAVSA-N	400.453	5.279	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(F)c3)c2C)cc1Cl	408985440	WVNJLYJFIXDIHC-ZDLGFXPLSA-N	407.876	5.741	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1	409063235	JFIIPIMEERPUKR-UDWIEESQSA-N	414.465	5.165	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3cccc(Cl)c3)cc2)cc1	409242971	QBLMLAYCFPNGTJ-OYKKKHCWSA-N	410.926	5.329	50	40	HKGB	
CCCCc1ccc(NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc1	3765103	KVHQPVVEIFSZTD-UHFFFAOYSA-N	417.578	5.179	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3)c2C)c1	4894799	MRZQVURKGGHLNL-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1nc2ccccc2[nH]1	9187258	KMNZGPLDPRHHMX-HZHRSRAPSA-N	401.469	6.359	50	40	HKGB	
C=C(Nc1ccccc1N)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])c(C)c2C)o1	106057984	ZQUCNGUIOSJIFS-SFQUDFHCSA-N	400.438	5.587	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc(Cl)c1	408761756	HKAFRPAPKVXEFS-BOPFTXTBSA-N	410.304	5.947	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408792308	APCUHIJQBSQREI-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc(C)c1OCc1ccc(F)cc1	408854603	JECQETICXAUTDE-OEAKJJBVSA-N	414.480	5.245	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1	954213	WFYUJUYUWSPUQS-LICLKQGHSA-N	423.925	5.332	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	5918811	ZATKJAHWOPFJOW-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c1C	33621517	HIYVPATZLJANBU-JFLMPSFJSA-N	411.505	5.334	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)cc1	223504322	LYNPSVIYYWTZFR-CVKSISIWSA-N	405.542	5.178	50	40	HKGB	
COc1ccc(/C=N\NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1	408972850	WEYXFHRTTCMEOD-WNFQYIGGSA-N	413.713	5.634	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1C(Cl)Cl	3013936	UTFICASJVJTEOX-QGZVFWFLSA-N	405.325	5.231	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F	3330093	DVXOFCHZXRYACC-NYYWCZLTSA-N	413.207	5.149	50	40	HKGB	
C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccc(NC(=O)C(C)(C)C)c1	5516933	DPQADNIPRGEQBB-JVWAILMASA-N	409.574	5.118	50	40	HKGB	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1nc(-c2ccc(Cl)cc2)cs1	8399928	DPXVDFMMJIIGSX-AWNIVKPZSA-N	421.736	6.843	50	40	HKGB	
COc1ccc(C2=C/C(=C(/C#N)c3nc4ccccc4[nH]3)c3cc(C)ccc3O2)cc1	32704562	XRJZFNWBDADUFO-XUTLUUPISA-N	405.457	5.748	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OCC)c1O	59336539	WAVHOBKNBQUEKY-GDNBJRDFSA-N	417.292	5.372	50	40	HKGB	
C[C@@H](c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)N(CCCl)CCCl	104048347	BRIBHQPOKSGFIR-HNNXBMFYSA-N	422.787	6.472	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccccc1Cl	408677772	UTSCGUWISPREIR-WGOQTCKBSA-N	420.944	5.112	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C#N)cc3F)c2C)cc1	408968112	UGPJKEOBFSMNOB-LQKURTRISA-N	416.500	5.211	50	40	HKGB	
COc1cc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)ccc1C	408970873	LNTPTTGZBKTTSE-AFPJDJCSSA-N	423.321	5.298	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC	8195950	MHQMIXSTFRISOR-MLJKTZRHSA-N	402.853	5.211	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1ccc(-c2ccccc2)cc1	9108636	UTXWIVHAKUTEEJ-WGOQTCKBSA-N	414.896	5.551	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCC(=O)Nc1ccccc1)c1ccc(Cl)cc1	408579939	LQABZSXHRGKDNQ-LDADJPATSA-N	423.299	6.075	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)cc1	408792063	HEZAVBSHBXSXPK-XDHOZWIPSA-N	418.880	5.479	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc(C(F)(F)F)cc1	408853819	SVALIUIXXRSNBB-UITAMQMPSA-N	421.010	5.888	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1	408896604	ORJZDTBHOGOKAC-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1	408983153	LAAZCFIRZUKGRU-MTJSOVHGSA-N	417.940	6.218	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccc(F)cc1	2869053	VMVJTJQWJRUTBO-VXLYETTFSA-N	407.828	5.820	50	40	HKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccccc2)cc1	4514927	UXGBWPHNUBFLRC-LFVJCYFKSA-N	410.926	5.765	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)c1	6404442	WDBXLUKJNUHITC-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Br)cc2)cc1)C(=O)c1ccccc1	9057168	PYVMOPHTCDIAPC-XSFVSMFZSA-N	418.290	5.818	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1O	9171101	YQRKTBNESOUTNI-VGOFMYFVSA-N	413.296	5.351	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1)C(c1ccccc1)c1ccccc1	32123407	BZWWSPPCECILBP-BRPDVVIDSA-N	420.512	5.548	50	40	HKGB	
CCCCCCCCCCCC(=O)N/N=C(\c1ccccc1)c1ccc(Cl)cc1	104163798	ZZRALUIEBAWMGO-AZPGRJICSA-N	413.005	7.130	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	408745172	PRGPSQAYFPJQTL-MOSHPQCFSA-N	413.433	5.028	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408874376	AQRMXHXTRUPJPL-MRRXTZQKSA-N	419.956	5.619	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c(C)n1-c1ccc(F)cc1	408922836	GRSOJCGKASJCLV-RCCKNPSSSA-N	409.464	5.932	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2)cc1	408935037	GCGSRWURRLMQAR-MTJSOVHGSA-N	416.908	6.082	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408964210	BZLNZBMBIVTXBI-CVKSISIWSA-N	407.945	5.809	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409041594	WIULBLUYGMJAOG-UKAWQWHTSA-N	423.516	5.843	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCCC	409069885	BCQBDWHVBKKFBH-PXLXIMEGSA-N	418.537	5.765	50	40	HKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)c1	1257942	FFLQBSZLKBDDFZ-FOWTUZBSSA-N	415.474	5.210	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H](/N=C/c1cccs1)c1ccccc1	3304910	MCIGTKKMXJNQQA-BLJGPLFWSA-N	401.471	5.880	50	40	HKGB	
COc1cc(C)ccc1CNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	4031501	JXQVIRPIGSNUOY-LDADJPATSA-N	406.869	5.140	50	40	HKGB	
CCCCCC[C@@H](C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	5499177	QJTXJFDIMHKESC-LJQANCHMSA-N	416.433	6.195	50	40	HKGB	
N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2cccc(Br)c2)cs1	9183550	OIRYHEANQUQHIR-JLHYYAGUSA-N	416.731	6.203	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21	208244070	GBNKVSLSMUYCHY-SLVCOGOPSA-N	411.908	5.747	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1	208471391	QLTCQTQTIFCGHK-YVLHZVERSA-N	421.928	5.526	50	40	HKGB	
COc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408724932	HOBAHCPLGMDMKH-MTDXEUNCSA-N	424.500	5.120	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(C)c1	408744391	KYHSHQUMNBUNPJ-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1C(C)C	408851974	ONVMRFGFTSQZEO-JVWAILMASA-N	417.553	5.689	50	40	HKGB	
COc1cc(Cl)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	408853504	UTTAAJGGQPYSFF-WDZFZDKYSA-N	411.672	5.210	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cc2cccc(F)c2)c1	408873521	VGABXIODIYAVQJ-HYARGMPZSA-N	414.480	5.588	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc2ccccc2c1	409393816	SLAXGMJVWSNDED-QFEZKATASA-N	423.487	7.021	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	1453744	CRAUIMSEFRYWJG-CPNJWEJPSA-N	411.892	5.889	50	40	HKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C)o2)sc2c1CCCC2	2311792	PPBBXIOOCKLFBL-NTCAYCPXSA-N	412.511	5.031	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl	4715742	ZQYGWTKXRDQTLS-CXUHLZMHSA-N	418.320	6.103	50	40	HKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1	9359260	VDFPGBDTUZQGFH-JOCHJYFZSA-N	422.488	5.237	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc2c(c1)OCCO2	12618442	OSKBRINUDCAFIM-UHFFFAOYSA-N	413.502	5.672	50	40	HKGB	
N#C/C(=C/c1cccc(I)c1)c1ccc(Br)cc1	408529245	IWDCIDBRMJNOAK-JYRVWZFOSA-N	410.052	5.118	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)c1	408744980	OJLBSKIHSWEKKZ-WQRHYEAKSA-N	401.422	5.326	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	408869541	SMWKLVUHKSWUDY-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1NC(=O)c1ccccc1	409208041	AJLQKDNHKBQGCR-NDENLUEZSA-N	420.310	5.316	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	1190853	WZVKRJNCJRBPQS-NTCAYCPXSA-N	423.266	5.263	50	40	HKGB	
CCCc1ccc(OCC(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1	1661673	QOFSOJPQMZCILY-WPWMEQJKSA-N	411.505	5.317	50	40	HKGB	
Cc1ccccc1NC(=O)COc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1	6479490	SXZBBOJTPZSKMG-HAVVHWLPSA-N	418.496	6.230	50	40	HKGB	
N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1	19913138	DQHPQQCGYOZJJY-NRFANRHFSA-N	406.938	5.702	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1OCC	28632497	QIBBAULVNPPRLU-RFDVDBBISA-N	408.542	5.035	50	40	HKGB	
N#C/C(=C\c1ccc(I)o1)Sc1nc2ccccc2s1	35404710	ZMJMZAFZBFPASN-JXMROGBWSA-N	410.261	5.151	50	40	HKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2ccc(Cl)cc2)o1	57476863	BVEBMGVCISITCV-RMORIDSASA-N	423.683	5.436	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)c1C	59249800	GTYKEDWNVBVFTH-LGMDPLHJSA-N	420.310	5.402	50	40	HKGB	
C[Si](C)(C)O[C@](CC(=O)c1ccccc1)(c1nc2ccccc2s1)C(F)(F)F	195565841	AITFEJMQSMWCLD-LJQANCHMSA-N	423.532	6.178	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)cc1	408580991	FSIUPSMUEDHQPZ-YBFXNURJSA-N	410.300	6.645	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Sc1nc2ccccc2[nH]1	408599213	PZLJOKXUOJJSLS-GXDHUFHOSA-N	422.853	6.041	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3)ccc3ccccc23)c1	408771605	HNTRSQIESZYOPO-QJOMJCCJSA-N	418.496	6.273	50	40	HKGB	
O=[N+]([O-])c1ccc(Cl)c([C@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(Cl)Cl)c1	3184510	PJHYQDMWWPESTB-ZDUSSCGKSA-N	410.040	5.745	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	3242691	SYLWONDZRVVEDG-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
COC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc3ccccc3c2)cs1	4189907	MSBWVALLKAPHCC-RGEXLXHISA-N	411.486	5.726	50	40	HKGB	
COc1cccc2c3c(c(/C=C/c4ccccc4)nc12)C[C@H](C(Cl)Cl)S3	4955713	TZCAJAANKBOPJJ-DOJUMQAQSA-N	402.346	6.234	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1cccc2ccccc12	6389997	NURJVLUNFBGOGA-QNGOZBTKSA-N	407.473	5.499	50	40	HKGB	
N#C/C(=C/c1ccccc1Br)c1nc(-c2ccc3c(c2)OCO3)cs1	9327393	VGCPWBVKSCABAG-AUWJEWJLSA-N	411.280	5.365	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	33378776	IPAYLRGTRACFOY-XMHGGMMESA-N	414.343	6.481	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1C	59232959	PTJKSZWOHOYSLQ-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)cc1	108990395	LJINLIJOYOJFHC-SFQUDFHCSA-N	418.499	6.000	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2[C@H](C)CC1(C)C	208315358	PTIVXYABIKNLMJ-OXVLKEGXSA-N	411.977	5.833	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(\C#N)c2ccc(Cl)cc2)cc1	408581885	ZOTDBDGGVXMYEN-XQNSMLJCSA-N	409.916	7.445	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)c1	408743470	AJUDLEDGEQMHCL-HMAPJEAMSA-N	413.521	5.655	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2cccc(Br)c2)cc1Cl	409010010	AYNNEJJKKMAWDJ-WLQYJRLHSA-N	424.726	5.435	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	409066700	NTPPUCREQOQKTJ-XMHGGMMESA-N	422.912	5.578	50	40	HKGB	
O=C(NNc1cccc(Cl)c1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	1921424	SNGOWKZPTKRALD-UHFFFAOYSA-N	421.711	5.026	50	40	HKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N(C1CCCCC1)C1CCCCC1	3181771	SPZFZJGQKOBMBJ-OBGWFSINSA-N	402.485	5.689	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1	3230364	BOXQRPITDKCTAZ-WGOQTCKBSA-N	413.546	6.025	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1ccccc1F	5491346	HAWFXLFSQCIIGW-OAQYLSRUSA-N	414.484	5.482	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1	5526182	HWULINGCXQTOGI-LPYMAVHISA-N	412.533	5.709	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	6480353	XGPACIHMRRRJSP-DHZHZOJOSA-N	408.260	6.372	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1O[C@@H](C)CC	6603716	WOULBFABRWZOIT-FBKCMUNRSA-N	414.889	5.167	50	40	HKGB	
N#C/C(=C/Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	8400484	NTVGUNNGMJYPER-WQLSENKSSA-N	416.289	5.822	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3Br)cs2)c(C)n1C1CC1	13150015	LTVMLJAERGEAHU-MHWRWJLKSA-N	424.367	6.390	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1	59335988	IFFRBJOQXWKTQV-LDADJPATSA-N	424.331	6.255	50	40	HKGB	
C/C(CC(=O)Nc1cccc2c1CCCC2)=N\NC(=O)c1ccc(Cl)cc1Cl	100522860	FHZOFHHTZJGZQM-DHRITJCHSA-N	418.324	5.007	50	40	HKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)N(CCCl)N=O)CC[C@@]43C)[C@@H]1CCC2=O	118929201	FULFKXIGCUQZJE-LCDGHNAASA-N	424.969	5.326	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1C)[C@@H](C)CC(C)(C)N2C(C)C	223605441	RKXHVBZKHBRRFT-CWGWECIMSA-N	415.581	6.350	50	40	HKGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	226334085	DRGQAIVIVRQVBL-ZZXKWVIFSA-N	420.517	6.114	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1cccc(F)c1	408868658	NHHMDSNBHGIIMN-VCHYOVAHSA-N	420.871	5.624	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1ccccc1F	408870148	VNCUUXPQDIVAAK-DEDYPNTBSA-N	418.443	5.500	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408976135	PNCJCXIRNSHLPR-FFSLVDLBSA-N	412.533	5.695	50	40	HKGB	
COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OC)cc2)cc1	3885206	JBNLLEISOAYPQS-QZYFCNJNSA-N	424.928	5.066	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)cc1	4318594	BNPHXOIRWCLTSA-FOWTUZBSSA-N	407.520	5.459	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1	4966335	YVMSIAGOAUCLBV-QGOAFFKASA-N	412.470	5.588	50	40	HKGB	
N#C/C(=C\Nc1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	9271723	AKLPAUHKXBOQRO-HMMYKYKNSA-N	424.485	6.362	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)ccc1O	13739539	JBQKATSXSZCWKK-ZSOIEALJSA-N	413.296	5.351	50	40	HKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(F)(F)F)n2)c1	16960579	KQQYHLSVMDYLKN-SDNWHVSQSA-N	401.413	5.814	50	40	HKGB	
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)c1	51074639	PYNMELYEYMZJOF-XMHGGMMESA-N	417.472	5.488	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)c1	59433182	JPDHYGIRTFODGA-VULFUBBASA-N	417.896	5.116	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2cccc(F)c2)cc1	100370425	MFHRVKJYNGSQBI-NHDPSOOVSA-N	422.463	5.413	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	109727972	IQFMUOANSLRNBB-PTGBLXJZSA-N	404.554	6.588	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1	408712012	VPLZFKVHDMIKOT-QQXSKIMKSA-N	422.912	5.011	50	40	HKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408866055	GEGGDWGRKTXPGP-LTGZKZEYSA-N	422.459	5.821	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Cl	408872303	CSGMIYKBASDCSH-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1C	408875160	GMVITOCQMAKNNW-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	409005194	DMPRGLLENXYVIG-SDXDJHTJSA-N	404.897	6.218	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccncc1	409214297	SFNAZDOWUCXNJX-NTFVMDSBSA-N	404.473	5.002	50	40	HKGB	
CCO[Si](CCCCCCCCCCCCc1ccccc1)(OCC)OCC	1857794424	BWUGPMXDXHCTJC-UHFFFAOYSA-N	408.699	7.179	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1	33700226	OVERAINNSUXATG-JAIQZWGSSA-N	418.424	5.776	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(Cl)cc1	59116917	SBLWENLRPRRXDY-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1	59281859	NZQNAHLTYBQYJK-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2[C@@H](C)CC1(C)C	223575653	PTIVXYABIKNLMJ-HSOLMKNUSA-N	411.977	5.833	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc(C#N)c1	408568540	UZXGEMPNOINBKV-UKWGHVSLSA-N	405.284	6.508	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(OC)c2)cc1OC	408579701	JRKDDLWCTZXVKO-UDWIEESQSA-N	419.452	5.495	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	408722476	JIOUDZMVFJNNQJ-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)c1C	408744965	IUZNLDFJZRVQIO-QINSGFPZSA-N	420.852	5.241	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)o1	408962242	XORJYMLLBLQZNR-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
CC[C@H](C)Oc1c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cccc1OC	409021420	GNVHBLCZIHXBIW-JFVYAULHSA-N	400.862	5.036	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	409052884	BDULSHKBDAGJEX-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(Cl)cc1Cl	409113652	FFHWZQGCBLZCJX-QPSGOUHRSA-N	422.164	5.684	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(Cc4cccc(C)c4)c4ccccc34)[nH]c2c1	409393729	ZNXZZKYKSXOILJ-MOSHPQCFSA-N	418.500	5.947	50	40	HKGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	1453325	ANIRBIICLXCHOP-DTQAZKPQSA-N	420.852	5.322	50	40	HKGB	
CCCCCCO[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615260	CFRCTPNZOKRPHU-ZBEGNZNMSA-N	422.157	5.599	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1	1777836	YYZODRKHWOUMHT-RCCKNPSSSA-N	410.546	6.533	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	1782586	RHHGQDDDDBIJNQ-FRQJIFLKSA-N	410.901	5.118	50	40	HKGB	
CC(C)n1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21	6201676	SAXVPVHQUCTIQT-SSDVNMTOSA-N	406.467	5.109	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2)cc1	9323579	INEZNHIRNGTMRU-XSFVSMFZSA-N	402.881	5.730	50	40	HKGB	
CCn1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21	14152187	BHJBKORJLLHHFH-RVDMUPIBSA-N	400.507	5.019	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	59224747	RRTOZIFFLSYUDI-RCCKNPSSSA-N	423.491	5.937	50	40	HKGB	
O=Cc1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c(Cl)c1	96022852	JYBFRHLGCGYFHE-UHFFFAOYSA-N	415.860	5.962	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1	209377664	WWSGFOSQZRLTQG-UVTDQMKNSA-N	413.260	5.808	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c3ccccc32)cc1	408568496	JUTCFQWSUKXDGT-UNOMPAQXSA-N	406.464	6.078	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c1C	408677974	WOZIUAHZAXJJCJ-WPWMEQJKSA-N	414.553	5.075	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c(C)c1	408798237	VLRHKDSSVLOVRU-GZTJUZNOSA-N	401.422	5.326	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cc2ccccc2o1	408815281	HCZLDZXLLOWKMV-JJFYIABZSA-N	409.785	5.018	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)c(Cl)c2)c1	408867235	KIYFZQWDLXRRGL-UDWIEESQSA-N	421.327	6.438	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1O	408972224	NTZLBGOFCGVZIT-NKVSQWTQSA-N	409.294	5.076	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccccc1	409043360	QJCCLVDAZFLTSI-XDHOZWIPSA-N	418.880	5.430	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4ccc(C(C)=O)cc4)o3)cc2c1	409190635	UCITYWLWAJYRHU-QFEZKATASA-N	416.433	5.058	50	40	HKGB	
Cc1ccc(C)c(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c1	1801167	AKBOOFCIAWVBLN-HOTGVXAUSA-N	411.137	5.142	50	40	HKGB	
CC(=O)N(c1ccc(Br)cc1)c1nc(CCl)c(Br)s1	2144042	HXXONFUYMKZOHV-UHFFFAOYSA-N	424.545	5.092	50	40	HKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc3ccccc23)cc1	3113346	ZCAZLZUBIUSOJQ-OGLMXYFKSA-N	416.565	6.083	50	40	HKGB	
Cc1nn(-c2ccccc2)c(OC(=O)CCCCl)c1Sc1ccc(Cl)cc1	3183150	NBJIFYFWZQEYAO-UHFFFAOYSA-N	421.349	5.910	50	40	HKGB	
Cc1ccc(N/C(=N\NC(=O)Nc2cccc(C(F)(F)F)c2)C(F)(F)F)cc1	4207781	YUOVBQFTDPKKSK-UHFFFAOYSA-N	404.314	5.123	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1cccc2ccccc12	6229944	ANDVYMASQWFOPI-QFEZKATASA-N	416.480	6.363	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13775564	VYWRJQZOHMTVOL-MLPAPPSSSA-N	402.262	6.089	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1	14134337	GMRRXMYWTSUSET-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1	59296939	MWRWFGRYCXCMQB-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
c1ccc([C@@]23C[C@@H]2COP3(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104194423	BXVSDQHJARXQCQ-YWEHKCAJSA-N	408.481	5.377	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	408782902	LBBRJPZZLRAKDE-CHHVJCJISA-N	423.727	5.657	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c(C)c1	408791903	FBXCOPOFHJQYKZ-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc(Br)c1)c1ccccc1	409239367	MZRAOVQRUSOFDT-OKSBFYSISA-N	420.310	5.024	50	40	HKGB	
Cc1cc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)c(C)c1	409241586	OTKFFUSTGXRHPH-BABSMXRMSA-N	411.549	5.804	50	40	HKGB	
CC1(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SCCS1	409252234	RJBKJFINXSWWFM-SSDVNMTOSA-N	414.474	5.002	50	40	HKGB	
O=C(CCCCCBr)c1ccc(Br)cc1OC(F)(F)F	575362658	SISCVHSIRMZGAT-UHFFFAOYSA-N	418.047	5.486	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccccc1F	6475574	NGJZYIOQZLRHGK-ATVHPVEESA-N	406.844	5.561	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1C	7384492	KYHVMXJTYOBIBM-WPWMEQJKSA-N	414.553	5.075	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1	9261779	LZMDRZXQEFJJIM-QGOAFFKASA-N	420.310	5.402	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1F	59535610	ROBHRKGGKKGOPE-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[C@H](C)CC1(C)C	208315761	IWULVALLGMQMNI-UUMRFZBWSA-N	401.554	5.331	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408734876	KZXOGXBMFXSXBQ-QGOAFFKASA-N	404.897	6.136	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)cc1	408744930	IIBKUMCJTKEPLV-QINSGFPZSA-N	423.266	5.263	50	40	HKGB	
COc1ccc([C@@H]2Nc3ccc(/C(C)=N/NC(=O)CC(C)C)cc3[C@@H]3C=CC[C@@H]32)cc1	408751370	ILQLTLOSTFHHRT-DJVQXNGQSA-N	417.553	5.408	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2C)cc1	409186790	HWESVFXJKIDVOQ-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCCCC2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409234604	LVXBSDWNMOYQKG-QINSGFPZSA-N	403.404	5.224	50	40	HKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409389843	CLLNPXGMWFHOOC-SXGWCWSVSA-N	402.263	5.616	50	40	HKGB	
CCc1ccc2c(c1)N(CCCN(CCCl)CCCl)c1ccccc1S2	1655541	PQEDIXAXOUVZSQ-UHFFFAOYSA-N	409.426	6.021	50	40	HKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	4713837	QMXCMNOFYMTHOE-WGOQTCKBSA-N	418.949	6.279	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(Cl)c2)cc1	6372983	MLGWRNJXTXERSW-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc(Cl)c1OC	7164630	CNIXOGKYNZXHEP-IZZDOVSWSA-N	411.672	5.210	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(-c2ccccc2)cc1	13943627	FBHMDKFHQCXRFL-VEILYXNESA-N	424.500	5.435	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	20197283	SFDCHMSVVCVRQT-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	20197854	BHLXBLTYPXSQKM-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2C)o1	33608377	BSILWXOJZBHCKE-VULFUBBASA-N	418.880	5.834	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2Cl)cc1)c1cccc2ccccc12	33850429	KPIPKRYXQJDJQJ-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1	58826117	VIBHTFZKQWGMRV-STZFKDTASA-N	402.881	5.142	50	40	HKGB	
CCOc1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	96024157	FENSSULBNNJMIY-DTQAZKPQSA-N	415.474	5.292	50	40	HKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c(C)c1	100839941	LISBBNFQJIGSPU-KQWNVCNZSA-N	407.542	7.071	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)cc1	252507908	WWPIUQDMQIZQSA-CAPFRKAQSA-N	414.461	5.449	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408801868	WEEQEGDCWDIIPJ-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(C)C	408856606	QONRQSAEGWBQKE-CXUHLZMHSA-N	402.416	5.692	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1Cl	409020790	TYGYVIVUFIRNHN-FTWDSPQQSA-N	410.901	5.200	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2c(Cl)cccc2Cl)CC1	409116429	UZRCADDTUQBTJM-UHFFFAOYSA-N	401.403	5.935	50	40	HKGB	
Cc1ccccc1-n1nc(C)c2c1OC(N)=C(C#N)[C@@H]2c1c(Cl)cccc1Cl	856162	RRAVWIMDBNBHME-SFHVURJKSA-N	411.292	5.014	50	40	HKGB	
C#CCOc1c(Cl)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Cl	2143423	PHOJHDCFSWVGJT-FQEVSTJZSA-N	421.283	5.377	50	40	HKGB	
CCOP(=O)(OCC)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	4506121	QQDVBZYTBRQHKB-UVTDQMKNSA-N	400.198	6.384	50	40	HKGB	
CCOC(=O)/C(C#N)=C/C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1	6962374	JZPPHFUGQVXJOB-CJLVFECKSA-N	409.485	5.963	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C\c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1	31870552	DBECEGJMZAVATC-ZHZULCJRSA-N	415.562	6.439	50	40	HKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1cc(Cl)ccc1Cl	59117422	ABWPLOKQLOQIBT-SFQUDFHCSA-N	417.295	6.845	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C	208314395	AXMPZOVDHNTXSF-UWCCDQBKSA-N	407.945	5.998	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1	252489129	JGPUCQQCJLSDPS-GXDHUFHOSA-N	416.786	6.164	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc(C)c1	408543241	OFCYSKUANCQTJG-UCQKPKSFSA-N	413.473	5.735	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1F	408579054	CTLLQUNYGJQUET-DEDYPNTBSA-N	407.872	6.521	50	40	HKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408810558	JCJBCNLRJONVFK-MDWZMJQESA-N	407.684	5.757	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N2CCCC2)c2ccccc2n1Cc1ccccc1Cl	409368890	RLGUAOMNXUYLSK-XMHGGMMESA-N	403.913	5.181	50	40	HKGB	
CCCCC12C[C@H](CI)N(c3ccccc31)c1ccccc12	2271769	UHFJZSNTEDLCLI-OAHLLOKOSA-N	403.307	5.822	50	40	HKGB	
Cc1cc(SCC(=O)N/N=C/c2ccccc2C(F)(F)F)c2cccc(C)c2n1	5006980	DPFFRXWORPXYPF-OPEKNORGSA-N	417.456	5.113	50	40	HKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc1	5464182	SYCIGGFMXDHGNQ-JOCHJYFZSA-N	406.489	5.571	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	5738453	RNMVGUCOAWDJPO-VULFUBBASA-N	417.896	5.116	50	40	HKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c(-c3ccccc3)[nH]c12	58833747	JFWZLHJOWRVUDR-XDJHFCHBSA-N	407.473	5.698	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccccc1	58871416	QVNFQBFNOJEVLN-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1ccc(CSC2=C(C#N)[C@@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)cc1	102863463	OOYKGAIRTMXBAB-NRFANRHFSA-N	420.603	6.895	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc2ccccc2c1	408598434	AIANWTNARYOMLU-MZJWZYIUSA-N	408.379	5.883	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)Sc1nc2ccccc2[nH]1	408599564	WKXVXMDBNUHLIK-GXDHUFHOSA-N	421.865	5.831	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)cc2)c(C)c1	408797136	GGPGNZKVWYBLDJ-TUVAEWESSA-N	416.565	5.793	50	40	HKGB	
Cc1ccc2[nH]c(C)c(/C=N\NC(=O)c3cc(-c4ccccc4)nc4ccccc34)c2c1	409037757	ZALZZFFPUULEQC-NTFVMDSBSA-N	418.500	5.764	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(C(F)(F)F)cc1	409104333	CXBWKOTVFYMELJ-LGMDPLHJSA-N	415.867	7.574	50	40	HKGB	
O=C(COc1ccc(-c2ccccc2)cc1)NN=C1CCCCCCCCCCC1	4699165	JJJRNXAVGQKSQX-UHFFFAOYSA-N	406.570	6.509	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccco1	5785959	XGQKQRONBAEJEC-ZXVVBBHZSA-N	410.473	5.680	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1	6410544	YKDGQPSZCANEDZ-UOBPLZBXSA-N	404.554	5.772	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc3ccccc3c2)cs1	9075691	AXORITGBOUZLOW-ATVHPVEESA-N	416.437	5.987	50	40	HKGB	
N#C[C@@H]1[C@H](C(=O)c2ccccc2)c2ccccc2[C@H](Br)[C@@H]1Br	223812412	OUUVCVLNYJJKPE-WCXIOVBPSA-N	419.116	5.006	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl	408578953	BZSQXCWBZSXDST-RIYZIHGNSA-N	407.094	5.832	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC)cc1	408793074	DDNXDNWHWPSTBQ-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1	408870916	XFHDGZNDDDDEIT-LPYMAVHISA-N	411.303	5.012	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1	408889177	AMWZZJVKGDNYMR-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(\C#N)c3ccccc3)cc2Cl)c1	409055478	IUCNMCIAELXHLM-DEDYPNTBSA-N	402.881	5.730	50	40	HKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2c[nH]c3ccccc23)cc1	946958	VYVXTUCYSMDSLK-OGLMXYFKSA-N	411.505	5.023	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1	4689557	GUWVQZGZLXUMRP-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
C/C(=N/NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1Cl	4700136	LETWQHLBDLXVTH-ITYLOYPMSA-N	419.912	5.325	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccccc2-n2cccc2)cc1	13921343	CVHGIUYBSLYDTC-OVVQPSECSA-N	409.489	5.129	50	40	HKGB	
CC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1	19832400	IVBFHZGZKMUSMP-VGSWGCGISA-N	419.322	5.334	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1	58885797	YGDMRUNEWKEPHG-UHFFFAOYSA-N	407.514	5.126	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)c1C	59202045	MNPAKFJGIFLFDQ-FYJGNVAPSA-N	400.453	5.567	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1	207036691	UORLRIPQMLBNLA-BKUYFWCQSA-N	400.453	5.513	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2)c1	408578647	AEJXMJHMFITXOU-XSFVSMFZSA-N	402.881	5.730	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)cc2)c(C)c1	408797135	GGPGNZKVWYBLDJ-RLYXNVJMSA-N	416.565	5.793	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	408845275	VOLCNNLATRNECM-NIHKJWTPSA-N	408.929	5.521	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408871016	XASWVZNYHHNWGL-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408898869	NFZBASLXPAMGQK-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(C(=O)O)cc2)c(Cl)c1)c1ccccc1	409074496	MDCPZZZROIBVEF-VXLYETTFSA-N	424.283	6.335	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C#N)c2ccccc2)c(C)n1-c1cccc2ccccc12	409204722	JRGJRWWFAWOCAJ-MRAZWZEMSA-N	406.489	5.005	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)o3)c3ccccc3n2)cc1	2109564	JODOYUNJMXXLGI-DCMOEJRUSA-N	411.505	6.081	50	40	HKGB	
O=S(=O)(Oc1c(Cl)cc(Cl)cc1Cl)c1ccc(C(Cl)Cl)o1	2150477	WFEOHGPPUNVDHU-UHFFFAOYSA-N	410.489	5.484	50	40	HKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1cc(/N=N/c2ccccc2)ccc1O	4018577	CGFDGKZTHJJGGM-JZPBETOZSA-N	423.476	5.523	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	6572177	ZNKZMBXJOPXVEJ-WGOQTCKBSA-N	403.526	5.164	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1	6966379	QCERXEWYBWLTQI-NLRVBDNBSA-N	411.530	5.701	50	40	HKGB	
Clc1ccc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1	71789916	RUXRATSOLYSMAL-ZWQIFLOQSA-N	408.792	5.469	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21	208202163	WZTWCPALQUNDPN-NODVXYSWSA-N	417.475	5.120	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408568588	VIFWVUJRKVSSEF-BOPFTXTBSA-N	410.427	5.908	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1	408735831	YGHHAZZCGJBOAS-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)cc1	408796241	XMVMBNWVCFQTCH-HZHRSRAPSA-N	407.473	5.245	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)cc1	408797486	RSKDPZZKKVSUMO-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1	408818400	PPNKGFYGRPHNGT-YVLHZVERSA-N	423.875	5.441	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)NCCCc1ccccc1	409223331	FHCDYQKNJQQPBN-QJOMJCCJSA-N	414.480	5.061	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	409250777	YDECODRGSUDBBV-YUMHPJSZSA-N	405.517	5.224	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@@H]1CCc1ccccc1	5409273	YGVYKRXJHQMIQU-JOCHJYFZSA-N	418.500	5.546	50	40	HKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2cc(Br)c(C)cc2s1	20132883	QVJBDVAFKXNDET-SECBINFHSA-N	420.170	5.259	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1C	59104955	KBKNFUNKTBGAFI-STZFKDTASA-N	401.485	5.650	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	100231829	VOSBNNBYIMQNBN-FVIKRSMRSA-N	403.501	5.105	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc2ccccc2c1	408550057	DCCNTPXOFOTWSC-OYKKKHCWSA-N	406.441	6.391	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1	408583390	UFWADLYZRUGRCN-FYJGNVAPSA-N	419.908	6.390	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Cc2ccccc2F)c1	408872293	CPMXNDWXLIBILB-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	409197347	CHPVDSWAOQGFTD-FSJBWODESA-N	419.333	5.327	50	40	HKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c(C)c1	409199015	AWSUNTKQIUCCBH-BKUYFWCQSA-N	415.449	5.162	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccccc3Cl)cc2)NC(=S)N1	409368387	SUUXYDJDSJGCNH-IBGZPJMESA-N	411.958	5.262	50	40	HKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3ccc(F)cc3)c2)cc1C	409379601	YJMDRIJPEWFHNJ-BKUYFWCQSA-N	400.453	5.524	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	4953629	QXPVSRPOYVTGAW-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	5414905	UGTFSKMHVYKANQ-PJKLNKOBSA-N	412.533	6.229	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc(CCCC)cc1	33407926	LWCKUYJUPXMMDN-IMRQLAEWSA-N	416.521	5.276	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(Br)c2)cc1OC	107721894	KKUXZDIPFJPORA-KHAFMBKQSA-N	420.734	6.353	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)Cc3cccc4ccccc34)cc21	208456616	DCCVXQWPFGHEAV-OGLMXYFKSA-N	411.549	5.473	50	40	HKGB	
Cc1cc(O)c(/C(=N/NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc2)cc1Cl	257173453	NWUNUAVZTZWDLN-SLEBQGDGSA-N	422.956	5.439	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c2c1	408780105	SFUOFVDXNDJENH-ZHZULCJRSA-N	414.505	5.800	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408795603	CMAYGYDDEJZTIY-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)c1	408865424	DGFJWTGSAIESLT-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cc2cc(C)cc(C)c2)c1	408875109	DCJJTYAJMGSWTA-MFKUBSTISA-N	424.544	6.065	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	408924554	MWTQDUKQYRVDQT-GIJQJNRQSA-N	424.331	6.255	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl	409053252	NPXDVLCQONALPU-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1c(/C=C(/C#N)C(=O)N(C)C)c2ccccc2n1Cc1ccc(Cl)cc1Cl	1106445	OXASZNBFKPJAHC-YBEGLDIGSA-N	412.320	5.300	50	40	HKGB	
CCC(C)(C)OOC(C)(C)C#CC(C)(C#CC(C)(C)OOC(C)(C)CC)OC(C)=O	2250593	BYAIXWZGELZXTE-UHFFFAOYSA-N	424.578	5.146	50	40	HKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2c[nH]c3ccccc23)cc(C(C)(C)C)c1O	3169874	NRGLXXDCSXAWRX-LQKURTRISA-N	419.569	5.551	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O[C@@H](C)CC	6603717	PWRNCFRMRRKVMC-DUPVFGOHSA-N	400.862	5.888	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1	20194306	UTANXRGNDJXDGD-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(C(=O)O)cc1	408543480	RJMDKDWZVRWDIW-JCMHNJIXSA-N	423.443	6.320	50	40	HKGB	
Cc1ccccc1C(=O)N/C(C#N)=C/c1ccc(-c2ccc(Br)cc2C)o1	575444387	AZHIUCGBFALMHE-SFQUDFHCSA-N	421.294	5.620	50	40	HKGB	
CN(c1ccccc1)c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	3193828	SBQUZKWNQRYDAC-BUVRLJJBSA-N	409.942	5.350	50	40	HKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3cccc(Cl)c3)c2)cc1C	33721967	VWESFRIPJNBLGI-MTJSOVHGSA-N	416.908	6.039	50	40	HKGB	
COc1ccc(Br)cc1/C=C(C#N)/C(O)=N/c1nc2ccccc2s1	41120667	WJYAQLRFLULDHX-XYOKQWHBSA-N	414.284	5.263	50	40	HKGB	
CCCCCCCCC(=O)N(NC(=O)C(O)(CCCC)CCCC)c1ccccc1	97951175	XNVHUVCWOFSMIM-UHFFFAOYSA-N	418.622	5.913	50	40	HKGB	
O=C(c1ccc(S(F)(F)(F)(F)F)cc1)N1CCC(c2nncn2C2CC2)CC1	102204915	ASQUJOFTWIHTJL-UHFFFAOYSA-N	422.423	5.290	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc2ccccc12	409022996	AOUKYJQWXOLLKH-ZVHZXABRSA-N	422.962	6.470	50	40	HKGB	
C/C(=N\NC(=O)Cc1ccc(Br)c2ccccc12)c1ccc(Cl)cc1	15134854	UOJORWLUOLYDTP-YDZHTSKRSA-N	415.718	5.339	50	40	HKGB	
CC/C(=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1	38204281	TUEPTLZLFUPRMV-LVWGJNHUSA-N	408.954	6.176	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2C(C)=CC1(C)C	208503608	IDTPYKITFLNGJG-UYRXBGFRSA-N	401.510	5.263	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1	408746816	VZQWIQCYIGISBB-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc2ccccc12	409183396	BUVGKUMSHKJAPF-ZVHZXABRSA-N	412.474	5.224	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc(F)c1	409391772	JSBHIJDKNBTIOD-HAHDFKILSA-N	402.472	7.046	50	40	HKGB	
CC/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)C(C)C	5020149	BBJQANNBAOSXKF-SOYKGTTHSA-N	400.522	6.084	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	9202543	JOFIOFDDMNWMEE-JFLMPSFJSA-N	415.924	5.724	50	40	HKGB	
N#CC(C#N)=C1SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1	17255763	MLADKRXBDKHQRM-YNQDYZLWSA-N	405.486	5.959	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1	59432949	AMGAVUKWXHGZBP-GZTJUZNOSA-N	401.422	5.326	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1	100870613	RJBSTMFVVLBOMY-OAQYLSRUSA-N	412.555	5.143	50	40	HKGB	
Cc1ccccc1[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O	169840665	YPMYGFWDPRPTSM-DLBZAZTESA-N	409.599	5.036	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(C(F)(F)F)cc1	408782441	IDAPCORZMLINJH-WJDWOHSUSA-N	411.339	5.865	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1Cl	408882511	OODXBKCJSYNTRC-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1F)c1cccc(C(F)(F)F)c1	408961391	BXAFOTSFQSKLCW-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3080133	ZBEHIXQNVUTMTL-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)c1ccc(CSc2ccccc2)cc1	4502785	VERGWRPZNWOPCN-NHFJDJAPSA-N	416.590	6.453	50	40	HKGB	
CC(/C=N/NC(=O)c1cccc(Cn2nc(C)cc2C)c1)=C\c1ccc(C(C)C)cc1	6189240	UVOQAOCJQNSEQN-UJHOMVODSA-N	414.553	5.491	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1	6473520	JKJHWOTZDNALRB-XQNSMLJCSA-N	409.916	7.445	50	40	HKGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1ccccc1Br	10060095	ORIFUBANVPIQHF-QTANEOQUSA-N	423.270	5.334	50	40	HKGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(Oc2ccccc2)cc1	20243968	OZXGTPZIBDCBFM-ZVHZXABRSA-N	410.926	5.516	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F	33876320	RWJZLCDTWBZKRV-ODLFYWEKSA-N	404.397	5.386	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	35518971	DGXJOKLOHBEUMH-VQCBNXJZSA-N	421.840	5.293	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c1	223556595	IGWSWLOZXMCBJB-BDBXIWDTSA-N	417.553	5.741	50	40	HKGB	
Cc1ccccc1COc1c(Cl)cc(/C=C/C(=O)Cl)cc1Br	226340788	HJWALDYZARYKMP-VOTSOKGWSA-N	400.099	5.769	50	40	HKGB	
Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccccc1F	408570687	XORRDGQQZOOPQM-PDGQHHTCSA-N	424.454	6.217	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccc(C)cc1	408883905	SDVRWMCKSPCZES-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccccc1Cl	408936995	LWALNLOMNHXZHM-WQRHYEAKSA-N	406.844	5.604	50	40	HKGB	
COc1cc(/C=N/c2cc(Cl)cc(Cl)c2)ccc1N(CCCl)CCCl	1686171	DLWXPVSBORZXMV-FSJBWODESA-N	420.167	6.037	50	40	HKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@H](c3ccccc3)CC=C12	2322583	JMYWIVNKCJWOBR-JMUQELJHSA-N	410.908	5.327	50	40	HKGB	
O=P(C(=S)Nc1ccc(C2CCCCC2)cc1)(c1ccccc1)c1ccccc1	2561324	FRTWNPKKARRVRP-UHFFFAOYSA-N	419.530	6.445	50	40	HKGB	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Br)cc2)cs1	4010047	DFNVRHBPMSAJCN-ZROIWOOFSA-N	412.268	5.545	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	4953604	RYUZOFLYJONUTN-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC	31904637	HIOIZYRUEHIQQM-NVNXTCNLSA-N	412.898	5.553	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4ccccc4)cc3)n2)cc1	67257875	AVDWUEFCSNSBEE-HAHDFKILSA-N	408.526	6.762	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)cc1	209405766	LCWPTVQFKDJOHY-DJKKODMXSA-N	412.291	7.084	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	408735294	PWGDNISKFLCJJU-CPNJWEJPSA-N	420.871	5.912	50	40	HKGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408861670	FIKBNXVUERSAQZ-YDZHTSKRSA-N	419.333	5.886	50	40	HKGB	
N#C/C(=C\c1cc(Br)cc(Br)c1O)c1nc2ccccc2o1	409045044	XVDWXXFHSVKYMW-BJMVGYQFSA-N	420.060	5.123	50	40	HKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)o1	959669	XVSFDGNRYOBTLA-MDWZMJQESA-N	418.305	5.488	50	40	HKGB	
Cc1ccc(F)c(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1	2201241	LANHSPSVLDMQDG-PTNGSMBKSA-N	403.438	5.341	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCO4)n2)cc1	2318120	WRMKSEDBMCRBNL-LDADJPATSA-N	403.507	5.714	50	40	HKGB	
O=P(C(=S)Nc1ccc(C(F)(F)F)cc1)(c1ccccc1)c1ccccc1	2561307	YWQXZTWJYHHDHR-UHFFFAOYSA-N	405.381	5.416	50	40	HKGB	
O=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	3298057	YEEFABSNFGDPCP-MTDXEUNCSA-N	422.484	5.402	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	5719399	AEFWWEQZNBFGFU-NTCAYCPXSA-N	411.288	6.361	50	40	HKGB	
CN1/C(=C\C=N\NC(=O)Nc2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21	12574316	DICDFDNHNZCRJG-OWNBEOFBSA-N	402.420	5.124	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N\NC(=O)c2ccc(Cl)cc2)cc1	17090155	AOZKPKWTHWZGIX-YSMPRRRNSA-N	414.896	5.265	50	40	HKGB	
Cc1cc(Br)c2nc(NC(=O)[C@H](Br)C(C)C)sc2c1C	20133305	VEOPQEODVDTCMU-SNVBAGLBSA-N	420.170	5.034	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1ccc2ccccc2c1	100927749	MRENXIMZIFTUJG-DHRITJCHSA-N	414.292	5.281	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1nc2ccc(F)cc2[nH]1	408569320	NELRDGKXGCHRCS-XFXZXTDPSA-N	401.426	5.387	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)c1	408869430	PIKXEMMHZKCOLB-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1	409067779	ZLHSYAIRRJXGDU-MFKUBSTISA-N	424.884	5.321	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc(C(=O)O)c1	409390729	GSUVHVUJNAEFJR-JMIUGGIZSA-N	403.409	5.176	50	40	HKGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1	2090867	DNYGCFCSLRQZIP-ZVHZXABRSA-N	401.491	5.044	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1	5288359	QSQIKSFCHPUVGH-MFKUBSTISA-N	413.304	5.580	50	40	HKGB	
CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1	17113297	FGBDZVYSCZSFAB-LFIBNONCSA-N	409.536	5.661	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	20764383	BIWZLKGOMADFMV-AFUMVMLFSA-N	409.917	5.219	50	40	HKGB	
C/C(=N/NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1	33856326	VDMVNWCYORNYCT-NTFVMDSBSA-N	411.427	5.325	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1	59116910	PKHZBZGDXRECFP-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2cccc3ccccc23)cc1	83315179	OPBLDFMHIASGMN-QRQIAZFYSA-N	412.464	5.251	50	40	HKGB	
O=C(NCc1ccccc1-n1ccnc1)Nc1ccc(S(F)(F)(F)(F)F)cc1	102152806	LDDBAYGKFMEMIP-UHFFFAOYSA-N	418.391	5.851	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208242150	JRERHSLOXYEMSP-PMFHANACSA-N	407.945	5.916	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)cc1	208311428	PLRMIKKWAYTTMT-MKYLKIGJSA-N	401.554	5.907	50	40	HKGB	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	408555899	ZPJBUTPZDWVJIC-MDWZMJQESA-N	401.413	5.063	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)c1C	408874978	GUMAEUUCFZSQMQ-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)c1	408885986	CHGNWSPZWMEEFK-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
N#C/C(=C/c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)NCCCc1ccccc1	409250539	QXNJYNQKECLEEW-CYVLTUHYSA-N	423.438	5.152	50	40	HKGB	
Cc1ccc(C)c(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1	1801166	AKBOOFCIAWVBLN-JKSUJKDBSA-N	411.137	5.142	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc(-c2ccccc2Cl)o1	4150189	BFBRJEJYSUXCMD-IBGZPJMESA-N	414.852	5.208	50	40	HKGB	
Cc1cccc(C)c1OCCCOc1ccccc1/C=N/NC(=O)Nc1ccccc1	4600177	ATILSPREVQPCCY-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
Cc1ccc(C)c(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	4670365	IZZGVAVWXIRMTC-MYKKPKGFSA-N	417.292	5.399	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)cc1	4922949	BIPWAKVJBXIWES-SFHVURJKSA-N	409.942	5.122	50	40	HKGB	
N#C/C(=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)C(N)=O	6258960	QKIOVFZTKVTAON-PHHDBUIOSA-N	418.500	5.100	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1	59116725	YIZOZZHRCOBTKZ-NBVRZTHBSA-N	402.837	5.105	50	40	HKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	59201657	TUKXFVSXSKXFBB-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1	408584004	ZFDXIMZVNUUQCO-YBFXNURJSA-N	410.300	6.645	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc(Cl)c1O[C@H](C)CC	6596361	WOULBFABRWZOIT-KWZJRMENSA-N	414.889	5.167	50	40	HKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC	13756298	RZVMQKJGZIXPRW-QPEQYQDCSA-N	417.317	6.198	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)OCc2coc(-c3ccccc3)n2)c(C)n1CCC(C)C	14807291	CSJORDDKFWXCNE-LPYMAVHISA-N	417.509	5.456	50	40	HKGB	
CCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)c(C)c2s1	20132540	OOZTXKIOJJKDSS-SECBINFHSA-N	420.170	5.178	50	40	HKGB	
O=C(Cl)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1	45919933	OLRQNFBRIUMHCR-UHFFFAOYSA-N	405.462	5.943	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)cc2C(C)=CC1(C)C	208517223	GFGGWHASCJQHMH-NDENLUEZSA-N	415.537	5.571	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c1	223556005	LIIQWUNSDDNPOI-CWGWECIMSA-N	415.581	6.350	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(Cl)c1OC(C)C	408872912	LFGQQOXRDOZPAL-OQLLNIDSSA-N	402.853	5.211	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408892470	BTNGETWWKGORLD-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc(Cl)c1	408921834	CIUSAZOYHBEYAA-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408962743	UICVHRMYLDLPMY-SSDVNMTOSA-N	409.785	5.018	50	40	HKGB	
O=C(Nc1cccc(Cl)c1)[C@H](Br)[C@H](Br)c1ccccc1	1739482	PVVQMBDHWZJODW-ZIAGYGMSSA-N	417.528	5.178	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)ccc21	4859457	PKBPJKFXAHPVCT-DHRITJCHSA-N	410.304	5.885	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc(Cl)c1OC	7159357	XWMJAYQFODZFJA-GZTJUZNOSA-N	406.869	5.446	50	40	HKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)c2nc3c(C)cccc3s2)c1C	7989215	TZCPTGKLADCIAX-CPNJWEJPSA-N	406.555	5.393	50	40	HKGB	
O=C(N/N=C/c1ccccc1C(=O)O)c1ccc(CSc2ccc(Cl)cc2)cc1	8861598	YGMFBOLEEFJYAG-ZMOGYAJESA-N	424.909	5.094	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccc(C)cc1	13586202	GHRBBFJKNDUACQ-WGOQTCKBSA-N	402.494	5.045	50	40	HKGB	
CCCCCCCCOc1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1	98001329	YZRFMIOOSLARSX-KOEQRZSOSA-N	416.949	5.608	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	102965400	BSYCLQZJZYVINS-RELWKKBWSA-N	414.549	7.006	50	40	HKGB	
c1ccc(O[Si](Oc2ccccc2)(Oc2ccccc2)Oc2ccccc2)cc1	169811099	ADLSSRLDGACTEX-UHFFFAOYSA-N	400.506	5.738	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	199401152	PZCUNXOBQJLKSS-GZTJUZNOSA-N	424.972	6.495	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c1	408813253	OXYWMLQRKXPZJW-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2cccc(Cl)c2)cc(C)c1OCc1ccc(Cl)cc1	408849104	VFDOGGFQAYVHSU-CIAFOILYSA-N	408.328	7.253	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Cl)cc1	408865555	BDYBPTYGYPMRCY-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1cccc(F)c1	408867183	JGOAKWBXPJSBPJ-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C	409177061	BWZUQYWSNRUNBK-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1	409334353	LABZLLCBCRWIAN-HNNXBMFYSA-N	419.333	5.144	50	40	HKGB	
Cc1c(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1Cl	409374677	WKQPBIONDSFRAR-RGEXLXHISA-N	422.919	6.592	50	40	HKGB	
Cc1cc(C)c([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1C(Cl)Cl	1103318	CEBCJKFXCSZJLN-GOSISDBHSA-N	419.352	5.539	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1	2738268	KUDDBUGFZMQJNI-XDJHFCHBSA-N	424.891	5.738	50	40	HKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccncc1	3189483	QSHDRHBOOMIIPH-VUTHCHCSSA-N	416.484	5.456	50	40	HKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(\C#N)c3nc4ccccc4[nH]3)c2C)cc1	4738878	DMGLZDSXZUFONK-XSFVSMFZSA-N	410.477	5.211	50	40	HKGB	
COC(=O)N/N=C/c1cc(Cl)cc(Cl)c1OCc1c(Cl)cccc1Cl	8722182	CRXPEYMNNRZCBB-QPSGOUHRSA-N	422.095	5.569	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)nc2c1	9263487	RZVHOFOLHHLOKS-XDHOZWIPSA-N	410.433	5.423	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccccc1F	39884529	BKKYKQNEYBRIIB-FMIVXFBMSA-N	401.224	5.938	50	40	HKGB	
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2)cc1	59116954	TWXLVZXBIIARGN-CPNJWEJPSA-N	416.864	5.413	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Br)cc1	59137650	DMFPOGNKSVFTFF-KAMYIIQDSA-N	411.230	5.394	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c(C)c1	59201051	BCGCJFKNSLZWSF-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)Cc1ccccc1	107544236	SSQPOPIMXJXEFR-KQWNVCNZSA-N	417.347	5.101	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC	107867482	SYQBDCSQWIAHSG-MLJKTZRHSA-N	419.308	5.725	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C	208236879	BOBYEMCUSCHKGZ-RKQRPNFGSA-N	423.564	5.726	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc2[C@@H](C)CC1(C)C	223531267	ZPFKPFHNPCZYKN-YLRSXTQRSA-N	409.371	6.625	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1	223557461	PMHASKYYRJNGOJ-MAGMUUGSSA-N	415.581	6.295	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br	408581008	FYJOQADPELWNDY-MHWRWJLKSA-N	400.272	5.095	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc(Cl)c(Cl)c1	408588900	XAKNNCLVTWTGOY-QPEQYQDCSA-N	418.663	6.669	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1	408747077	ZBENAKOSLLBVME-ZHZULCJRSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c(C)c1	408794199	IFZSOQWEDDCAIK-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(C#N)cc1	409368312	XIRXCPOFKKFOQI-MTJSOVHGSA-N	415.290	5.964	50	40	HKGB	
CC(C)(CCl)C(=O)Oc1ccc(OC(=O)C(C)(C)CCl)c(-c2ccccc2)c1	2153656	LFPSPAJLKAWGHP-UHFFFAOYSA-N	423.336	5.694	50	40	HKGB	
Cc1ccsc1/C=C/C1=Cc2c(sc(NC(=O)CCl)c2C#N)C(C)(C)C1	3246434	MFGPMKJEOBHZBD-SNAWJCMRSA-N	402.972	5.945	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	4922420	QLDOPAXMCLBVEZ-IBGZPJMESA-N	409.942	5.122	50	40	HKGB	
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	8558428	MPVMAVDTQZJZOI-JVWAILMASA-N	409.489	5.351	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccccc1F	33859744	ODQWWWAIVGUEFE-KQWNVCNZSA-N	402.472	7.046	50	40	HKGB	
COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	51093189	SELMNZXHECHLAI-SDQBBNPISA-N	402.679	5.360	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)cc1	58834031	KIATUZFZPGLWSW-NBVRZTHBSA-N	423.472	5.398	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c1	59201264	ZXIDPNNJHUTOHY-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	107706555	WYTSODIIJOIDOM-YHZJOHHESA-N	405.523	5.222	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	123258500	YLMOGCNVTMEHRU-PPBVAIQYSA-N	421.109	7.894	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12	137153596	UQYDIUGSRXMNEE-RCCKNPSSSA-N	421.500	5.552	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)NCCc3c[nH]c4ccccc34)cc21	208441610	GQQQUBSASAZNDQ-BKUYFWCQSA-N	424.548	5.065	50	40	HKGB	
N#C[C@@H]1[C@H](C(=O)c2ccccc2)c2ccccc2[C@@H](Br)[C@H]1Br	256055662	OUUVCVLNYJJKPE-VQHPVUNQSA-N	419.116	5.006	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1	408847642	QUQHNFWHFPZHPO-HYARGMPZSA-N	414.480	5.876	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409100426	VWRQYGMZXUORKK-JXAWBTAJSA-N	404.922	6.345	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409238368	NGCGYDZBJAWIIK-VYYCAZPPSA-N	419.887	5.175	50	40	HKGB	
CCOP(=O)(OCC)C(C#N)=C1SCN(c2cccc(Cl)c2)CS1	2383456	YMNSQPXINUULQW-UHFFFAOYSA-N	404.881	5.500	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1	9233736	SZFYXONIZWCUNI-OQLLNIDSSA-N	420.690	5.152	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c1	59201251	UHAKGUAWRVYKQP-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c(C)c1	59201756	LBBBVFFOVSLQRI-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)c(OC)c(Br)c2)cc1	408582961	PZHVSSNLSCZCHJ-NTUHNPAUSA-N	423.104	5.293	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408796672	YUFQTKSQHLAGNY-AWNIVKPZSA-N	409.700	5.900	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccccc1Cl	408799438	ZCYLAQOZYMPQKG-DEDYPNTBSA-N	413.864	5.336	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	408816091	QZGYHYLWAGXAAN-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)cc(C)c1OCc1ccc(F)cc1	408853874	YXNKTCIZDGDUAZ-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)cc1	1808322	APIQUJWCTQPPPT-CPNJWEJPSA-N	419.864	5.641	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)c(Br)c1	16158135	FXDAXXXIYKEMJU-NTCAYCPXSA-N	413.315	5.373	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@H]1C[C@@H]2CC[C@@H]1C2	101158253	GVHDCDKVQJQNKZ-MHYITAPPSA-N	417.940	6.097	50	40	HKGB	
Cc1ccc(C(=S)N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104204411	JZFOBIMREGMZGH-UHFFFAOYSA-N	411.510	5.848	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2F)o1)c1ccc2ccccc2c1	408550858	KJVXXYHGWRLNLR-PDGQHHTCSA-N	418.265	7.066	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1	408568652	VTJRWLFLUPKSRH-UNOMPAQXSA-N	413.452	5.744	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br	408580247	NJBCYMCPJVWLFS-MDWZMJQESA-N	409.110	6.385	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc2ncccc2c1	408963970	AWJTYSMGFWGUQD-VULFUBBASA-N	402.885	5.060	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc(C(C)(C)C)c1O	408965586	WDPMQOHPPWMWRV-UVHMKAGCSA-N	420.475	5.770	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409247619	DTXZKOGBUSSPCT-LGMDPLHJSA-N	424.447	6.402	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccccc1-n1cccc1	3226486	WRYVHJBJFWIJLI-OGLMXYFKSA-N	423.903	6.201	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	4135168	ZFEZDVVLILTMOC-NTMALXAHSA-N	408.260	6.372	50	40	HKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	4805560	LWILPEBNNRBZFH-SAPNQHFASA-N	409.942	6.619	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc(C)c1Cl	5539982	SUIUWYYOELGRMJ-VULFUBBASA-N	422.912	5.065	50	40	HKGB	
Cc1ccc(N2C(S)=C(C#N)C(=O)N[C@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1	16807373	VBKDNNGZNVOLBK-HXUWFJFHSA-N	421.909	5.208	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c(C)c1	20194826	KFWVWZMJKDUZOO-VULFUBBASA-N	407.945	5.366	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	23217257	CLNMXLIOSBETMV-UKTHLTGXSA-N	423.812	5.062	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc2[C@H](C)CC1(C)C	208322777	LFDQEFLTOBWIMG-WKTMJKCCSA-N	413.565	6.024	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	209482599	PXTIMAWGESOKIJ-PCLIKHOPSA-N	405.497	6.800	50	40	HKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408582212	MKNZTRUSDOVSJU-MHWRWJLKSA-N	402.288	5.319	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(Br)c1	408753247	FXCDTSRGJCKVBZ-VBKFSLOCSA-N	421.294	5.547	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)c(C)c1	408985432	LYWXGVRPOPENFN-BUVRLJJBSA-N	424.544	6.353	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1cc2ccccc2o1	409102521	YJZVUIWKTDYAKT-OYKKKHCWSA-N	406.894	6.001	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CC2)ccc1OCc1cccc2ccccc12	409196614	WUSZLZQEALYZIZ-KGENOOAVSA-N	412.489	5.003	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1Sc1ccc(Cl)cc1)c1ccccc1	409246926	LCJLLLRPTPTMBC-FABDANFUSA-N	418.949	6.276	50	40	HKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	2200688	SFRUUJRCWAJKFM-JLHYYAGUSA-N	416.384	5.714	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)[nH]c2c1	17091999	RTRZMPWFPNILOU-MDWZMJQESA-N	419.824	5.247	50	40	HKGB	
CSCC[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1	32350210	IZNBRUYYUCRAQV-WMLDXEAASA-N	409.646	5.187	50	40	HKGB	biogenic
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3c(F)cccc3Cl)cc2)cc1	59117663	LCNUJUGYWXMAJT-AQTBWJFISA-N	420.871	5.912	50	40	HKGB	
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl	226336506	YODBOFOGSHIMGM-GORDUTHDSA-N	406.092	6.013	50	40	HKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408796774	PCABYLPVKMHLQN-ONNFQVAWSA-N	416.091	5.854	50	40	HKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C)cc1	408842631	BHYJNOLSXMBQHQ-QRQIAZFYSA-N	424.500	5.813	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1cccc(F)c1	408872511	FPEZGUQBJKIWLG-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@@H]2CCC=CCCC=CCC[C@@H]12	585091584	CXSVWIBMCMBREG-RHOPYNMJSA-N	401.348	5.228	50	40	HKGB	
N#CC1=C(S)N(c2ccccc2)[C@H](c2ccc(-c3ccccc3Cl)o2)N=C1O	9089731	DFCXUASQWBOJMQ-LJQANCHMSA-N	407.882	5.740	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c(OCC)c1	13029436	KERDGAGZGPZAGF-GZTJUZNOSA-N	410.926	6.325	50	40	HKGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	13658889	BLEMVUVSUJOUFV-NVNXTCNLSA-N	415.301	6.106	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1Cc1cccc(F)c1	408865429	CKMFUDMIULUODI-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1cc(NC(=O)N/N=C\c2ccc3[nH]c4ccccc4c3c2)ccc1Br	408904531	LAHQHHMFCBQGMS-FMCGGJTJSA-N	421.298	5.548	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408956183	ZBTQHRYYQQEPCI-IKTNTUJMSA-N	415.287	5.137	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	843406	YTYUIWCXFAVAPN-WOJGMQOQSA-N	422.282	5.829	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2c1ccc1ccccc12)c1ccc(NCc2ccccc2)cc1	4046294	IAYXCKKYSKASTB-UXHLAJHPSA-N	418.500	5.697	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1	14134460	WLTVGHIZCVKCBZ-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(NC(C)=O)cc3)n2)cc1	17314922	SQMOQCCBHVSYHH-GHRIWEEISA-N	404.495	5.144	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C(/C)c2ccc(F)cc2)cc1	33354505	QKFUIBTWQHIRIM-OOAXWGSJSA-N	412.549	6.499	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1)c1ccccc1	59245236	QHSFYGLWAFTSRX-QWQBBLJPSA-N	400.453	5.189	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)Sc1nc2ccccc2s1	108218937	WKYOJCWSMRAIET-XSFVSMFZSA-N	400.528	6.532	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C	208210656	SKKXFHYDTSNSPR-GYXHFJGISA-N	407.945	5.916	50	40	HKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OCC	408551559	NNICYWUZFGEOEY-NDENLUEZSA-N	422.322	6.464	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1cccc(C#N)c1	408566156	DQVBCMBUIUMCSO-DHDCSXOGSA-N	420.222	5.553	50	40	HKGB	
COc1cc(OC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408796692	PPBHTCIGPPBUTO-VZUCSPMQSA-N	411.672	5.210	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC)c(OCC)c2)cc1	408798696	WOJPIVUBPKPCJF-LFIBNONCSA-N	414.889	5.082	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2cccc(Cl)c2)cc1	408853330	NPTZSDSFXHHEKD-PKAZHMFMSA-N	413.908	5.870	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OCC)c1OCC	408988528	IGTVRLVCPXURHZ-UNOMPAQXSA-N	424.928	5.720	50	40	HKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	1794735	FMTQDNAEQBQKND-SFQUDFHCSA-N	413.458	5.096	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1OC	4981013	KXCBRXUSZYGNAB-WOJGMQOQSA-N	419.506	5.158	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	5662011	JXMNTSXQVMJYFX-JLHYYAGUSA-N	413.260	5.808	50	40	HKGB	
O=[P@]1(OCCCl)C=C(c2ccccc2)N(c2ccccc2)N=C1c1ccccc1	8934184	GPUUOPLJLDTVMM-LJAQVGFWSA-N	422.852	6.401	50	40	HKGB	
N#C/C(=C\c1ccccc1Oc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2	12958899	PIDRSKUQKVFIRV-CXUHLZMHSA-N	410.256	6.579	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl	34388818	XZSAKUPABWFPII-RMORIDSASA-N	421.667	5.169	50	40	HKGB	
CC(=O)Nc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473037	GGOVWZJVSHANJZ-YZSQISJMSA-N	417.534	5.091	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1C	223549214	KVTGEXUNAIXKOG-CWGWECIMSA-N	415.581	6.350	50	40	HKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccc(Cl)cc2)c2ccccc12	408803007	KIIRKXAMHDAWNU-HUCUOGIVSA-N	405.929	5.473	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408967356	QCVIEQIZEWBESM-YSMPRRRNSA-N	422.960	6.201	50	40	HKGB	
CCC1CCC(=NNC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)CC1	5417667	UHKCJQQVDWJMDF-UHFFFAOYSA-N	406.570	6.383	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1cccc(Br)c1	59515756	HODIYCSSZJHSEL-UHFFFAOYSA-N	422.367	5.165	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	96300402	JJZDIXMVFXNNBI-SFQUDFHCSA-N	423.925	5.798	50	40	HKGB	
CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(N(CC)Cc2ccccc2)cc1	102989937	WXPQCPYWLHEYGX-QQTULTPQSA-N	417.597	6.097	50	40	HKGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1cccc(Br)c1	226327590	DORISHXOLHGXIF-UHFFFAOYSA-N	404.087	5.459	50	40	HKGB	
CC(C)[C@@H]1CCC(=O)C[C@@H]1CCCC[C@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C	263612475	YFMIIKKOFCPZSV-DHNNRRLOSA-N	408.699	6.558	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C	408567366	DFWCUDYHZWWSJN-SXGWCWSVSA-N	420.875	5.836	50	40	HKGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	409064749	FCOVDJLREXEXGP-XMHGGMMESA-N	420.896	5.025	50	40	HKGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(Cl)cc1	409137672	XVJNMZNMTQIYNI-SRZZPIQSSA-N	401.746	5.420	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(Cl)cc1Cl	409192905	FUXFKKSLDGUJHZ-YBEGLDIGSA-N	402.325	5.367	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(Cl)c3)n2)cc1C	2287662	YPFDMYKTDKJIHZ-XNTDXEJSSA-N	400.334	6.710	50	40	HKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)c2C)c1	9263378	MUKGWRMWHNVCBQ-FYJGNVAPSA-N	424.504	5.520	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(Cl)c3)n2)cc1OC	13648539	RWCLXQMHGBHJIE-RAXLEYEMSA-N	415.877	5.596	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1	20197766	RPQMPUSTWTZNDO-YZSQISJMSA-N	419.525	5.046	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)cc1C	28216398	UISUZEQMCVKKBS-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccc(/N=C/c2ccc3c(c2)CCC3)cc1	35078347	RTABLUCXUILMBO-UOJDGNAJSA-N	407.517	5.179	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21	208453720	LHBJQKCUHWBDHJ-ZDLGFXPLSA-N	405.929	5.826	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)cc1Cl	213137930	WEENPBYFGYCXIJ-PXNMLYILSA-N	419.308	5.013	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Cc2ccccc2Cl)c1	408876516	LTKIBPVWBQQENE-FYJGNVAPSA-N	416.908	5.794	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc2ccccc12	408896566	SABSHYSNPYSZMK-STBIYBPSSA-N	419.484	5.664	50	40	HKGB	
C#CCOc1c(/C=C(/C#N)c2cccc3ccccc23)cc(Br)cc1OC	409332193	KNROKRBGYNOHBC-PDGQHHTCSA-N	418.290	5.687	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OCC)c1OCc1ccccc1	409393307	PYDHXAOQXQMOKU-IWIPYMOSSA-N	413.492	6.596	50	40	HKGB	
CC(C)c1ccc(OCc2cccc(C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)c2)cc1	2110776	OVFVIICDPLGSNQ-MFKUBSTISA-N	417.465	5.061	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)c1	33338996	KYCIQNITQRLHOC-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccccc3-n3cccc3)o2)cc1Cl	71335781	HQCAWAYAKRRMMK-MYYYXRDXSA-N	403.869	5.463	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1	209401488	XPDJNMVTISVWQB-UDWIEESQSA-N	422.297	6.540	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1C	260572564	WWLQDFLPGMWTMI-KLSKMWHSSA-N	421.972	6.225	50	40	HKGB	
C[C@@H]([C@@H]1CCC[C@H]1P(c1ccco1)c1ccco1)P(C(C)(C)C)C(C)(C)C	261361438	TXXOLTAZYVLMPD-GBESFXJTSA-N	406.487	6.941	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1	408539040	DTJNGXOHZGLXDT-OOAXWGSJSA-N	402.538	6.343	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)n1-c1ccc2ccccc2c1	408817828	WVYWKHKLYXIFKT-YZSQISJMSA-N	419.528	5.513	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408888179	SXGOSKIHDOUYJS-WPWMEQJKSA-N	408.457	5.131	50	40	HKGB	
O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1c2ccccc2cc2ccccc12	1475202	WBFHKPDEMRYZJN-AFUMVMLFSA-N	410.502	5.112	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	8659430	WCNBYSYJSYTJQN-XFFZJAGNSA-N	403.278	5.454	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c(C)c1	28216390	ARHMSENUFZIQPA-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	35419091	FHWRVLOTDDJGHH-GZTJUZNOSA-N	405.523	5.079	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	40006615	SWKKTTWXKLGZKT-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@H]2C[C@@H](c3ccccc3)CC=C12	105973157	JMYWIVNKCJWOBR-AVCGJXAMSA-N	410.908	5.327	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)cc1	208518394	AHVNWAAMWMXBPB-HMAPJEAMSA-N	413.565	6.125	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223597746	VXNXUEOWPVGGEZ-CWGWECIMSA-N	415.581	6.350	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	408743306	FPTFLGHWQWBKFN-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1cccc(Cl)c1	408793399	FDCPPJUEMJRJHK-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1F	408869555	SCKWEPWLAQVNBZ-WOJGMQOQSA-N	408.835	5.755	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3Cl)c2C)cc1	409189096	IKKFAXSVYAAWQI-OYKKKHCWSA-N	410.905	5.302	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2	409362378	JFAHDXIKBHNILE-NVMNQCDNSA-N	424.283	6.365	50	40	HKGB	
CCCCCO[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615235	WBVUMHHXJVFTPE-BMIGLBTASA-N	408.130	5.209	50	40	HKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	2283446	NNCCWMQRLHYRRM-KAMYIIQDSA-N	400.334	6.656	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2n1	8402630	YQIRXOSDCKGDFV-YDZHTSKRSA-N	420.266	5.021	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cccc(Cl)c4Cl)o3)[nH]c2cc1C	408542100	GSFOUWVKBBZNMI-GXDHUFHOSA-N	408.288	6.811	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c2C)cc1Cl	408591854	VQOXNRMBHGZXOW-DHRITJCHSA-N	414.336	5.402	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408801912	WYEDTRSAUGHUKG-NBVRZTHBSA-N	402.881	5.912	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccccc1F	408813448	XROQFBXHKGTICU-UKTHLTGXSA-N	411.776	5.193	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1C	408861999	CICPEAFOHGLSKD-UDWIEESQSA-N	403.913	5.910	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1Cl	408986019	ZBMNRINZRHHJKZ-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
N#C/C(C(=O)Nc1ccccc1)=C(/Nc1ccccc1)SCc1ccccc1Cl	3058755	QBARWPDALAXCSK-BSYVCWPDSA-N	419.937	6.059	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3cccc(C)c3)cc2[N+](=O)[O-])cc1	32124697	ARMTZEVUZLJEGZ-UCQKPKSFSA-N	405.479	5.127	50	40	HKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(Cc2cc(Br)ccc2Cl)cc1	202831777	DGZRKOVWOYLOAW-UHFFFAOYSA-N	411.843	7.077	50	40	HKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1	408602940	PDSYEIXXSJQYHQ-GDNBJRDFSA-N	424.815	5.071	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)cc1Cl	408743978	IWWYUWOSMNGSIP-WJDWOHSUSA-N	420.852	5.241	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(-c2ccccc2)n1-c1ccccc1	408774717	CPPHPWOLAIUMES-XLNRJJMWSA-N	400.485	6.393	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)c1	408869850	RZTBQVUGKXXWAJ-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	409141291	UYZIGMNSSKPZPI-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	409365176	SYFHLNXSYHOEJU-LQKURTRISA-N	413.496	5.084	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Cl)o2)cc1	1453319	MZHGNGOWEZPLFR-DTQAZKPQSA-N	420.852	5.322	50	40	HKGB	
N#C/C(=C\c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(N)=O	4827026	QKIOVFZTKVTAON-ZQZZCILMSA-N	418.500	5.100	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c3ccccc32)c1	6622271	GVBBNAIGZNLWKZ-HMAPJEAMSA-N	416.528	6.555	50	40	HKGB	
CCCCCCCCCC(=O)N/N=C(\C)c1ccc(NC(=O)c2cccs2)cc1	8398587	LMHXFFDXONAGNH-XIEYBQDHSA-N	413.587	5.981	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)Nc1ccccc1	15939002	NNEZCJVRKYHFIB-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccs2)cc1C	35073762	DZBHUMOWOOLFSF-RGEXLXHISA-N	424.529	5.763	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)ccc1OCc1ccccc1	58835097	WCKQMNPTGABORX-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
CN(C)C(=O)/C(C#N)=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1	59333533	BCKNYNSARHALNB-HKOYGPOVSA-N	417.512	5.806	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C)[C@@H](C)CC(C)(C)N2C	208233890	QUTINIROPSTEMH-KCBNLNMNSA-N	421.972	6.225	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc(C(=O)O)cc1	408543320	QFTUDKHERXDERL-XKZIYDEJSA-N	403.441	5.324	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408804217	DHVTYBNRJFIDRW-NTEUORMPSA-N	417.690	5.213	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(F)c1	408891607	TYTOUVJAIKHGMF-WOJGMQOQSA-N	420.415	5.098	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)c1ccc(I)cc1	409371560	HPBZFPINDTYYJM-WJDWOHSUSA-N	422.225	5.487	50	40	HKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1cccs1	1453706	NPRXYPLGEJWZFL-RVDMUPIBSA-N	408.504	5.199	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	4779822	UNFWOLMFXUDTJF-MHWRWJLKSA-N	412.320	5.428	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)c1	5573816	RHGDIJRKZTYSNW-HYARGMPZSA-N	413.521	5.655	50	40	HKGB	
IC[C@@H]1CC2(c3ccccc3)c3ccccc3N1c1ccccc12	9183418	YQOWUARJVAIVIH-KRWDZBQOSA-N	423.297	5.680	50	40	HKGB	
CCCCCN1C(=O)C(C#N)=C(C)/C(=C/c2ccc(-c3ccccc3Cl)o2)C1=O	16741537	BSYVUKPTBSZTSZ-AQTBWJFISA-N	408.885	5.382	50	40	HKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2ccccc2s1	108936439	GXVVPTKRUZWHHS-RVDMUPIBSA-N	413.340	6.302	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208200014	AEKQPDOKGDWZSG-LFWZTCNZSA-N	404.341	5.479	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	408787504	BAOWZVWARHFZPK-JLHYYAGUSA-N	423.812	5.062	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408796059	DBERUEZCFZJQCB-VTFRSSIHSA-N	403.309	5.855	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Br	408801230	SNQRNEBAFDFADF-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	408870955	YBDRZJMYBNPUFO-NTEUORMPSA-N	408.807	5.693	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1F	408881725	LWXAHFGLJWZQAT-KGENOOAVSA-N	418.899	6.178	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	5632531	MHMDGCPDWWZIKT-DHRITJCHSA-N	415.320	6.315	50	40	HKGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1nc(-c2ccc(F)cc2)cs1	17474438	RHLGZEFOOLZJKY-NTUHNPAUSA-N	401.260	5.481	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C	34865449	QFPJCAPRJLNBFZ-STZFKDTASA-N	417.940	6.164	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	59336278	LKHHCCIMHJCXBJ-UVTDQMKNSA-N	405.281	5.336	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)C23CC4CC(CC(C4)C2)C3)cc1	97997013	SJAGVJCCFPELGB-ZXVVBBHZSA-N	410.602	6.092	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1cccc(F)c1	209487526	STKFXPZDKPAFKA-SRZZPIQSSA-N	421.899	6.829	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)cc1	252479392	BEBVMLRUWUHOBA-QGOAFFKASA-N	415.449	5.580	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)ccc1Cl	252502828	UUEQFOSSXPVWHU-LFIBNONCSA-N	420.852	5.241	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	408579673	JKJWBINHXUYICR-CIAFOILYSA-N	416.908	6.039	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)c(Cl)c1	408585731	HSMPYSNMLGYKGD-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc2Cl)cc1	408786188	GOCLUMUPYHEELG-IUXPMGMMSA-N	403.309	5.312	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	408789909	ONOPUJDTXVLWSY-SSZFMOIBSA-N	414.490	5.415	50	40	HKGB	
COc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)o1	408968500	ZSRCFDRCZOKSNX-RMORIDSASA-N	423.683	5.679	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/C=C2/N(C)c3ccccc3C2(C)C)cc1	3165517	JBCKMFOCXYOUHX-RRBJZPPHSA-N	412.537	5.121	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	5662158	ADRLWPKPUCTKAF-GXDHUFHOSA-N	413.260	5.808	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OCC	6155373	JHAJJMCQVBIQLY-GDNBJRDFSA-N	400.247	5.063	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1	33480283	JPCSDMGLPKPYIX-ODLFYWEKSA-N	407.872	6.439	50	40	HKGB	
C#CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(Br)cc1	408532917	RMGZPJXFSOLBRS-GDNBJRDFSA-N	417.100	5.288	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C	408792863	LVMDWAKKFOFDQE-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1	408795078	KAGSZAJNUQRWOQ-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
O=C(CCCc1ccc(N(CCCl)CCCl)cc1)OCCc1ccccc1	4773343	KOUAMUDOBHPDIP-UHFFFAOYSA-N	408.369	5.079	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)cc1	5737438	UUFHEJLJIIATGW-JWGURIENSA-N	405.501	5.798	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)c1ccccc1	6222694	MVOXIVHEEKJXLS-XDHOZWIPSA-N	408.284	6.362	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1	35254041	NKTYCLROIMGQGO-LGMDPLHJSA-N	420.852	5.322	50	40	HKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2cccc(Cl)c2)o1	57476865	HXBQHPLMNJMGON-RMORIDSASA-N	423.683	5.436	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccccc1Cl	58871326	XNGSGYAZSVDPQO-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)cc1C(=O)O	59105156	PMMDWNQRTJGGNZ-AUEPDCJTSA-N	417.248	5.024	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(OC)cc2)c2cc(Cl)c3ccccc3c2O1	102832158	JUZPKZGZIGEEDY-VATWTLTGSA-N	418.880	5.826	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408811102	LANNGPYKYRTLBM-CIAFOILYSA-N	417.940	6.218	50	40	HKGB	
O=C(N/N=C\c1ccccc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl	408971754	QAOMNTLAZXWGCV-YXSASFKJSA-N	418.132	6.279	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(CC)cc3)c2C)cc1	409190862	XDZYLIUHLYLTOY-JWGURIENSA-N	413.521	5.601	50	40	HKGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3sccc3C)C3=C2CC(C)(C)CC3=O)c1	1436445	UTUYQGPWQHHZCF-HXUWFJFHSA-N	403.551	5.306	50	40	HKGB	
Cc1ccccc1[C@H]1C=C(c2ccccc2)OC(c2ccccc2)=C1C=C(C#N)C#N	2054382	BAXNDMXKMBBDTQ-RUZDIDTESA-N	400.481	6.535	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCCc1ccccc1	4342267	HRMSAOGTDLXBNX-LTGZKZEYSA-N	409.489	5.268	50	40	HKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(/C)c3ccc(Cl)cc3)cc2)cc1	6439655	QUCHGRTUVCGSHX-ONUIUJJFSA-N	422.912	5.472	50	40	HKGB	
N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@@H]1c1ccc(Cl)cc1	6496717	OMKRNZMHGWRQPD-HXUWFJFHSA-N	404.922	5.765	50	40	HKGB	
COc1ccc([C@@]23C[C@H](c4ccccc4)Sc4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452014	WYALWLRESQFCSG-AOHZBQACSA-N	421.949	5.782	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@@H](Br)C2=O	13143942	UDOMTLSWGZGSJW-VUCTXSBTSA-N	419.146	5.091	50	40	HKGB	
N#C/C(=C\c1oc2ccc(Br)cc2c1Cl)S(=O)(=O)c1ccccc1	27460191	VTBREEKKTUFPDR-UKTHLTGXSA-N	422.687	5.187	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(Cl)cc1	33785637	OMXDETZLMFKDKP-XDHOZWIPSA-N	421.978	7.014	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccccc2Cl)cc1	98001431	HCXQFSJCTVKXCR-LGUFXXKBSA-N	414.977	6.623	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c(Cl)c1	223546963	PCUVJFAORSSWAE-HSOLMKNUSA-N	411.977	5.913	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(Cl)c1	408599785	ZTASIBRYFSAARK-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)c2C)cc1	408755311	JMTDULAILBXNMZ-UUYOSTAYSA-N	419.532	5.665	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl	408981442	BIHQIDCEBCUMJZ-YVLHZVERSA-N	424.972	6.495	50	40	HKGB	
CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1	409367939	OQEMWVOYHFLZFC-QFIPXVFZSA-N	419.525	5.150	50	40	HKGB	
N#C/C(=C\Nc1ccc2oc(=O)ccc2c1)c1nc(-c2ccc(Cl)cc2)cs1	2317932	RTNXULOZOBCTBN-RVDMUPIBSA-N	405.866	5.546	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2cc3ccccc3oc2=O)cs1	5023992	UDAHFYUAWWOISJ-RAXLEYEMSA-N	407.401	5.171	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccc(F)cc1	6495448	ZXMPATHRNRFCHE-OAHLLOKOSA-N	407.297	5.405	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	9233728	MPDHUBFVFVJJTO-CXUHLZMHSA-N	420.292	5.441	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3F)n2)cc1	11853120	ZBHKUDKCYIHKLG-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
O=c1[nH]c(SC[C@@H](Cl)CSc2ccccc2)nc2sc3c(c12)CCCC3	16779237	NNTPMEVQMUMPMB-LBPRGKRZSA-N	423.028	5.355	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	33421852	YXXKCLMQQWFZGG-DHDCSXOGSA-N	424.298	5.271	50	40	HKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	33629100	MNKXUXRRHNCNGV-CYVLTUHYSA-N	417.472	5.488	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(NC(C)=O)cc3)n2)cc1	100839981	SQMOQCCBHVSYHH-LGMDPLHJSA-N	404.495	5.144	50	40	HKGB	
CCn1c(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc21	105840799	FXCAZLUZUDYUSQ-OOHURIHSSA-N	406.536	5.059	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(Cl)c3)cc21	208462227	KENAZHCASYCZJR-WYMPLXKRSA-N	402.325	5.389	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(Cl)cc1	209384338	VUDPUHSWAHJOBO-XFXZXTDPSA-N	417.679	6.452	50	40	HKGB	
O=C(NN=Cc1ccccc1OCc1ccccc1)c1cc(C2CC2)nc2ccccc12	252445486	OVOBUOMMTMMTEV-UHFFFAOYSA-N	421.500	5.455	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)Cn1cnc2ccccc21	408691888	WHWLARBIIUBLQY-MOSHPQCFSA-N	410.433	5.131	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1cccc(C)c1	408778590	HXDLBAAEGIYRAA-GRSHGNNSSA-N	412.917	5.058	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(F)cc1)c1cccc(C(F)(F)F)c1	408961459	CJLWHIJXVLAONG-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1cccc(Cl)c1	409078058	HFPKXAKGXZLTDS-WGARJPEWSA-N	408.929	5.277	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1	409218417	VAWDHEIIMDMZNO-AFUMVMLFSA-N	424.953	5.470	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1	907791	WFKOXCWCJNUCJV-GOSISDBHSA-N	401.249	5.068	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)cc1OC	948769	AUAMERPDWZYJTN-RVDMUPIBSA-N	410.267	5.790	50	40	HKGB	
O=[N+]([O-])c1ccc(Cl)c([C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)C(Cl)Cl)c1	3184511	PJHYQDMWWPESTB-CYBMUJFWSA-N	410.040	5.745	50	40	HKGB	
CCOC(=O)N/N=C/c1cn(CCOc2ccccc2[C@@H](C)CC)c2ccccc12	4091888	YKMHHEVIUYJUPI-LEBHPONQSA-N	407.514	5.314	50	40	HKGB	
O=C(c1ccc(Cl)cc1Cl)[C@@H](Br)Sc1ccc(Cl)cc1	8781832	FDMZHXNUTZKQDB-AWEZNQCLSA-N	410.547	6.343	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccc(C(=O)O)cc3)o2)c(Br)c1	33551758	ICIKHEBGARQVMN-LFIBNONCSA-N	408.251	5.780	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(O)=C32)cc1	102612645	WXPARORBETWNCN-JOCHJYFZSA-N	420.965	6.851	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Br)cc1	408542197	HZWPISXRXAIFAG-XDHOZWIPSA-N	421.294	5.619	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1	408548186	DTIVGJABNSZXQJ-QQXSKIMKSA-N	405.497	6.882	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(C#N)c1	408568998	XXLVVRLMQDPADH-MTJSOVHGSA-N	415.290	5.964	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	408579623	ITKAZRINDBYOHA-XSFVSMFZSA-N	402.881	5.730	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)NCc1ccccc1	408746749	GOVSOANQBMJYGO-QQXSKIMKSA-N	418.496	5.642	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)cc2)c1	408783442	LKACSHAMBORVRA-JCMHNJIXSA-N	412.489	5.598	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(F)c2)c1	408934232	DCSPBXRZXYROPM-ODLFYWEKSA-N	420.871	5.912	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409238815	MAXLYRIUWJRLNO-HZHRSRAPSA-N	423.491	5.937	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccc(Cl)cc1	409313653	PALSZBKXZPVIKT-AWEZNQCLSA-N	423.752	5.919	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)[C@@H]1C=C(c2ccccc2)OC2=C1CCCC2	3145398	VVTBDRHOBMTAAL-HHHXNRCGSA-N	412.469	6.269	50	40	HKGB	biogenic
C/C(CCC(C)C)=N\NC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1	5020044	RYHXDTNNVOYDSO-OVVQPSECSA-N	413.521	5.542	50	40	HKGB	
C/C(=N/NC(=O)c1ccccc1C)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1	5698433	XSVGXTHODVMZON-KOQMZGOTSA-N	411.505	5.109	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3s2)c(C)n1-c1cccc(C(F)(F)F)c1	12559177	GMOATOINZNLZDG-GZTJUZNOSA-N	423.463	6.787	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)c(Cl)c3)n2)cc1	13659475	DNMBVZCXAYWXTI-ATVHPVEESA-N	411.933	6.778	50	40	HKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	13774173	SKOYXBZYIPSWGI-XFXZXTDPSA-N	417.277	6.002	50	40	HKGB	
N#C/C(=C\c1oc2ccc(Br)cc2c1Cl)C(=O)Nc1ccc(F)cc1	16751465	AZGUTOCQEKOQIH-JXMROGBWSA-N	419.637	5.533	50	40	HKGB	
COc1ccc([C@H]2CC(c3ccccc3)=C(C#N)C(=O)[C@@H]2C(=O)c2ccccc2)cc1	103114090	ZKMAEMWRXOFJJS-NOZRDPDXSA-N	407.469	5.228	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1OC	408579205	DQYQRQNPGTYAEM-XQNSMLJCSA-N	421.496	6.500	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	408591953	WSSWVQZLLJQHTA-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC)c(Cl)c2)c1	408745699	OIYFKIDXXKGFIP-ZSOIEALJSA-N	405.281	5.336	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1cc(C)cc(C)c1	408869124	RCVCAKXAPHWBIH-MFKUBSTISA-N	424.544	6.147	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408926459	NMAJSKKAMXVGPH-PXLXIMEGSA-N	423.491	5.361	50	40	HKGB	
CCn1c2ccccc2c2cc([C@@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	671032	ZHDHJLHWXJRPKK-CJFMBICVSA-N	417.516	5.408	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)c1nn(-c2ccccc2)c(N)c1C#N	4380420	SUPDTXDRRWXNRR-NTCAYCPXSA-N	411.852	5.304	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1C	4923359	QPLWBFDAXUFWJE-QFIPXVFZSA-N	417.578	5.646	50	40	HKGB	
Cc1cc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@H](c3ccccc3)C2)c(CCl)s1	5111295	YNKOHNKTVGDZID-FQEVSTJZSA-N	411.914	6.059	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](Br)C2=O	8384947	CAZOMVNBOBEWSG-JLZZUVOBSA-N	419.146	5.091	50	40	HKGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1	9349092	NBYFRLUBKHXZPS-RIYZIHGNSA-N	412.268	5.545	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1	33408412	CMWRSUNAOMJBSE-ODLFYWEKSA-N	420.852	5.900	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccccc1	59116973	QXKDOIBUISYZPA-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(=O)[C@@H]2I	118924078	YGZHYCOOWCXHBO-HSTZUDBKSA-N	400.344	5.402	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260569638	RKOCXDUZIHCONW-VSRRSJTHSA-N	413.949	5.143	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl	408598982	MTQZPVVTIALWHO-MFOYZWKCSA-N	401.724	7.119	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C)c1OCc1ccc(F)cc1	408853445	SMWKVKXSZQEFID-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CCSc3ccc(C)cc3)cc2)cc1	409109653	ITZQGTKBGRNIIY-YZSQISJMSA-N	418.562	5.515	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1ccc(F)cc1	409318846	YAENZABZAFWPFW-XQNSMLJCSA-N	423.487	7.021	50	40	HKGB	
Cc1cccc(N2C(N)=C(C#N)[C@@H](c3ccc(F)cc3)C3=C2CC(C)(C)CC3=O)c1	713576	NGDJLEIYJKTIQV-JOCHJYFZSA-N	401.485	5.075	50	40	HKGB	
N#C/C(=C/c1ccccc1)c1nnc(-c2ccc(COc3ccc(Cl)cc3)cc2)o1	8515938	AYHMVXFBYTWWGS-ZHZULCJRSA-N	413.864	6.033	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccs2)cc1C	12599443	DZBHUMOWOOLFSF-XMHGGMMESA-N	424.529	5.763	50	40	HKGB	
COc1ccccc1N(C(=O)CCl)[C@H](C#N)c1ccccc1OCc1ccccc1	12649988	HZGYDNIXKZQDSD-OAQYLSRUSA-N	420.896	5.111	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(F)c(Cl)c1	33658521	NGEXMVZXTHMQTM-XKZIYDEJSA-N	400.884	7.104	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	34792967	NKDUHWIOHGLVSL-GHRIWEEISA-N	400.881	5.984	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)c1ccccc1F	45330973	SIDMIHHMZGZUIL-JFLMPSFJSA-N	424.435	5.189	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	59272306	FUCQOLAQXIPALF-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(OCC)c1O	59303085	HBTWCWFSIFNVGZ-DHDCSXOGSA-N	417.292	5.372	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(F)c(Cl)c1	408568235	IMFNPRQZOPZHCV-NVNXTCNLSA-N	408.839	5.966	50	40	HKGB	
C/C(=N\NC(=O)CSCc1ccc2ccccc2c1)c1ccc(C(C)(C)C)cc1	408725359	FOKIIVIDEPOUPA-NLRVBDNBSA-N	404.579	5.911	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408791380	WVTZTGJXORNLBN-RVDMUPIBSA-N	411.288	6.091	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)C(=O)Nc1ccccc1F	408819484	YYITVIQYUGCTEV-FMIVXFBMSA-N	411.776	5.193	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2ccc(C)cc2)cc1	409238294	MPDIQARKWIFQLR-MTJSOVHGSA-N	420.541	6.155	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2)ccc2ccccc12)c1cccc2ccccc12	409310066	PTIAOFYPCXYBFF-PLRJNAJWSA-N	411.504	7.636	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)cc1	9144840	YXPZPDCSKULEFY-WYMLVPIESA-N	423.266	5.263	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1	12445991	BJYXEBLLOMWRBF-PTNGSMBKSA-N	406.825	5.152	50	40	HKGB	
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@H]1c1cccc2ccccc12	20238360	XUKJSFXFBMNCPA-NRFANRHFSA-N	403.551	5.187	50	40	HKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccccc2F)cc1	33437860	OWQGJRFGAKEHRM-UNOMPAQXSA-N	422.297	6.540	50	40	HKGB	
O=C(NNc1ccccc1C(F)(F)F)c1cc(-c2ccncc2)nc2ccccc12	45481071	COEGHWTWNUKYLE-UHFFFAOYSA-N	408.383	5.073	50	40	HKGB	
N#C/C(=C\c1cccc(I)c1)Sc1nc2ccccc2s1	107827978	FNCJQKXTHHXRMF-UKTHLTGXSA-N	420.300	5.558	50	40	HKGB	
CCO/C(=C\C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118926099	MXQFLKHCOJJHMA-ZYEZWTISSA-N	414.586	5.616	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccccc2)cc1	100195051	FPZYAHXMEIIPPM-MTJSOVHGSA-N	404.473	5.274	50	40	HKGB	
BrC1C2(SCCS2)[C@@H]2C[C@H](c3ccccc32)C12SCCS2	103988581	FRLOUEROUMPIGM-CHWSQXEVSA-N	417.484	5.387	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	408581071	UBULBHGPGGZKRR-YZSQISJMSA-N	419.524	7.190	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2F)o1)c1cc2c(ccc3ccccc32)o1	408600265	AUHFLKCOILJMJG-UVHMKAGCSA-N	416.383	5.888	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408803815	ATJXBBZXJYRROD-BMYPDOFLSA-N	424.544	6.021	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)NCCc3ccccc3)c3ccccc32)c1	408804642	ZEGFDIXFGTYHGV-JJIBRWJFSA-N	419.528	5.264	50	40	HKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	408809451	HCWWTJMXZVHXPZ-OVBDPADQSA-N	414.505	5.249	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1	409006473	JLVFABWKBZQHPP-MNDPQUGUSA-N	400.478	5.573	50	40	HKGB	
N#C/C(=C\c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	4083225	VCKXFWHAKXMYKK-JLHYYAGUSA-N	416.695	5.983	50	40	HKGB	
CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	7348032	SDODHDUHXDPSNP-GHRIWEEISA-N	413.502	6.016	50	40	HKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1	9359259	VDFPGBDTUZQGFH-QFIPXVFZSA-N	422.488	5.237	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)Nc1cccc2ccccc12	13457900	GNMHMQTWNJWSCC-XMHGGMMESA-N	408.413	5.344	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	17306458	WVZSEMPRZDMTDS-CPNJWEJPSA-N	403.507	5.580	50	40	HKGB	
CCCCCC[C@H](C)Oc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	33764811	KFMLDWJIUMCTJZ-WFVLPUPGSA-N	407.945	7.018	50	40	HKGB	
Cc1ccc(C(C)C)cc1OCC(=O)N/N=C\c1ccccc1OCc1ccccc1	36482207	BGVUPSFOUGAJGZ-YUMHPJSZSA-N	416.521	5.227	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	59920869	ZFRVUTSQRJZINQ-AFUMVMLFSA-N	404.922	5.889	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H](Cl)[C@@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl	104105643	RRUNQYYWDSEOKB-HFEZQARESA-N	401.375	5.712	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc(Br)cc1	107797715	LTOCFIURDXNCQP-QGOAFFKASA-N	418.762	7.126	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408568326	SQBPRLBYDPQYTP-NHDPSOOVSA-N	411.417	5.118	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1	408580786	RRRHKPUCWYFSRQ-WOJGMQOQSA-N	414.719	7.290	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(Cl)cc1	408788441	FOVPXBYMMDXIME-PDGQHHTCSA-N	400.831	6.831	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408887685	SKODZZAQHSYABY-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3cccc(F)c3)c3ccccc32)cc1	409394213	XFRPFJHEUIFZJT-MOSHPQCFSA-N	409.464	5.792	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccc(Cl)cc1	2277076	MUFRDFAWCLSHJZ-JLTOFOAXSA-N	411.288	5.202	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1Br	4827384	WBDNVRGYURCWDK-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	6410586	FQSWAKCRMPTIPB-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	7210491	AGAPMDQHUNORDK-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C\C(C)=C/c1ccc(C(C)C)cc1	32705970	WHLZZYNTMGIASO-HPRWSATESA-N	420.582	5.763	50	40	HKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3ccccc3F)cc2Cl)cc1	33718970	FCRJLDUNOUFVOI-ZDLGFXPLSA-N	412.291	7.084	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2s1	33784130	VHQBGLFESJGAMX-AQTBWJFISA-N	402.906	6.593	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1F	59224896	SMEDBOZNIBTBCA-UYRXBGFRSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)NC1CCCCC1	59433041	NQTNMTCSZRELKX-XQNSMLJCSA-N	410.517	5.775	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c1	223549063	HEQOMZFRNHIOII-IAFWPLRWSA-N	401.554	6.041	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccccc3Cl)c3ccccc23)n1	409379324	WDTFHONZNRQQCH-XDHOZWIPSA-N	414.896	5.404	50	40	HKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3333379	PNODDEXZTKANHO-NTEUORMPSA-N	408.807	5.692	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)nc1-c1ccccc1	6202884	YAHZNGDJINFUBV-XDJHFCHBSA-N	415.562	6.520	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)nc2c1	6553875	GIQFIWCPKFZFNS-NTEUORMPSA-N	403.825	5.547	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\C=C\c3ccccc3[N+](=O)[O-])n2)cc1OC	9310604	PDJJDTARXJJVJZ-IURGNXBSSA-N	419.462	5.356	50	40	HKGB	
COc1cccc(C(=O)N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)c1OC	17091860	YFGSVWZMLHBNIY-AFUMVMLFSA-N	419.506	5.066	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1	408580624	QBBVXCZLACZSMW-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c1C	408966971	OMAKKHHKXPCREJ-DHRITJCHSA-N	414.336	5.727	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	409112699	GBNKDSFUDLIDPX-VBYICHLGSA-N	409.530	5.173	50	40	HKGB	
CCC(CC)C(=O)Nc1cccc(/C(C)=N/NC(=O)c2csc3ccccc23)c1	4646328	QXDNZYHACWEHQP-MFKUBSTISA-N	407.539	5.430	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)c2cc(C)n(C3CCCC3)c2C)c(C)n1C1CCCC1	5602065	RTDYJDVPXBZRQU-PXLXIMEGSA-N	403.570	6.543	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1	6410539	QWHAUNHXCPCYQJ-MPMPPSQCSA-N	411.288	6.038	50	40	HKGB	
COc1ccc([C@]23C[C@@H](c4ccccc4)Sc4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452017	WYALWLRESQFCSG-FIXSFTCYSA-N	421.949	5.782	50	40	HKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCI	100929999	HUMXDBZLFGYHCC-UHFFFAOYSA-N	402.038	5.060	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2[C@@H](C)CC1(C)C	223581378	LZFBKNPYOCIJAY-LSPINASFSA-N	421.972	6.306	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)cc1	408530536	MCPYCWRSCPCEAB-AQTBWJFISA-N	422.278	5.950	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408539304	VFRFWEFAGBIKAW-GHRIWEEISA-N	417.336	6.498	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(Br)c1	408761737	BCHFTFMQXDHXCU-ATVHPVEESA-N	419.278	5.787	50	40	HKGB	
C#CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408800689	ONHFEKJYRFMBRK-MDWZMJQESA-N	405.668	5.204	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)c1	408853756	RGOVSQGLZFQOMY-HYARGMPZSA-N	414.480	5.876	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408984368	QEHAAARUEFOYKD-ZSOIEALJSA-N	405.281	5.255	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1OCc1ccccc1	408989578	IMZBIKBOPAPTCP-UQQQWYQISA-N	408.501	5.217	50	40	HKGB	
CC1(C)C[C@@](Br)([C@H](Br)c2ccccc2)C(=O)c2ccccc21	1580681	MDEGEBFGWNEVQW-VQIMIIECSA-N	422.160	5.821	50	40	HKGB	
CC[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(O)ccc2ccccc12	2100609	HKVXAYFARAQUQF-QNDYCBLQSA-N	421.547	5.176	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	16439392	PHHVCKNLLYCNGK-NTCAYCPXSA-N	423.266	5.263	50	40	HKGB	
Cn1c(/C(C#N)=C/c2cccc(NC(=O)c3ccc(Cl)cc3)c2)nc2ccccc21	23724305	ZJUGIUJGPNYSBL-QGOAFFKASA-N	412.880	5.543	50	40	HKGB	
N#CC(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)/C(O)=N/c1nc2ccccc2s1	41120772	WJRNPRCRFBRRFK-RVDMUPIBSA-N	415.430	5.450	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	59117451	BIZMPNUCKUENON-XNTDXEJSSA-N	417.292	5.503	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(O)cc1	104166633	PRKUVIMZOQLFDL-ROMGYVFFSA-N	402.623	7.104	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	206179888	HGFITABPCXNRGQ-CYVLTUHYSA-N	408.498	5.209	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc(Br)c3)o2)cc1C(=O)O	408848484	VGROFVCWNIIJIX-YBEGLDIGSA-N	408.251	5.780	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1C(=O)O	408854903	KPGFSLKROJVWDA-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cc2ccccc2Cl)c1	408877334	UXOONFDBYFAYJJ-DEDYPNTBSA-N	402.881	5.485	50	40	HKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc2ccccc12	409236331	DZGPUXMFWYXZPQ-RHANQZHGSA-N	421.475	5.746	50	40	HKGB	
CCOC(=O)COc1c(Cl)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OC	409336170	QUQCUEFITTYROZ-WOJGMQOQSA-N	421.880	5.508	50	40	HKGB	
CCCc1ccc(-c2ccc(C(=O)[C@H](Br)CBr)cc2)cc1	575358720	ALNKJQYCQWHZLB-QGZVFWFLSA-N	410.149	5.647	50	40	HKGB	
O=[P@@]1(N(CCCl)CCCl)OC(c2ccccc2)=CCN1c1ccccc1	1579928	AXNOPPOKQYPBKB-SANMLTNESA-N	411.269	5.452	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(C(C)(C)C)cc3)o2)cc1Cl	2071831	ADWMTQAOGGGYOC-VULFUBBASA-N	424.928	5.735	50	40	HKGB	
CC(=O)N(/N=C/c1cccc(C)c1)c1nc(-c2ccc(Br)cc2)cs1	4186696	WLNJYQDLCJZJNS-SRZZPIQSSA-N	414.328	5.268	50	40	HKGB	
Cc1ccc(NC2=N[C@@](c3ccc(C)cc3)(C(F)(F)F)C(C#N)=C3C=CC=CN23)cc1	6184322	PBFIRHMXHYTWIG-HSZRJFAPSA-N	420.438	5.706	50	40	HKGB	
COc1ccc(C(=O)N/N=C(/C)c2ccc3c(c2)Nc2ccccc2S3)cc1OC	6562086	CJPRNKYZSKNHBP-QFEZKATASA-N	419.506	5.066	50	40	HKGB	
Cc1ccc(/N=N\c2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1	17527742	COZGTYXMWYKLQH-RQZHXJHFSA-N	412.429	5.755	50	40	HKGB	
Cc1cccc(C)c1NCC(=O)N/N=C\c1ccc(OCc2ccccc2Cl)cc1	30738349	JATHPEIIJXTYLX-VYYCAZPPSA-N	421.928	5.098	50	40	HKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	33371001	FZGSSOZLXBYLLO-AQTBWJFISA-N	414.465	5.165	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccc(F)cc1	59116789	UWLDIUFWQSFNDQ-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1	260562511	ALSMAUPVVGGSPP-LTKMBJGESA-N	407.945	5.916	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	408795768	NBKGUHQBXUGRKL-XQNSMLJCSA-N	419.528	6.106	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)c1	408808975	GOOSEVZQRIYBTO-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CCCCc1ccc2nc(O)c(/C=N/NC(=O)/C=C/c3ccc(Cl)cc3)cc2c1	409055910	LOTPXOYROLUJLS-VXDYKSMGSA-N	407.901	5.100	50	40	HKGB	
CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2Cl)o1	27019352	HPHAWXYUWHUYIK-WJDWOHSUSA-N	411.288	5.819	50	40	HKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1)c1ccccc1	33386336	PRKJMDKMNXJHBT-WOJGMQOQSA-N	423.299	6.075	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	100230495	KXNCQRGGNKGHDE-GSDOCZQZSA-N	412.533	5.695	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)[nH]c2c1	409390904	GEVUIBCGDBMDQP-GZTJUZNOSA-N	402.885	5.697	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1	2636423	JNVKFPLCHNPBOR-OQKWZONESA-N	411.505	5.267	50	40	HKGB	
O=C(N/N=C/c1ccc(C(F)(F)F)cc1)c1ccccc1OCc1ccc(F)cc1	3362542	XRTCIPVXUDXGBX-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2cccc(Br)c2)cs1	4833478	XNPDGZRQEXCSGI-JLHYYAGUSA-N	400.276	5.688	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1	20197880	MHLJNHUAPOREDL-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc5ccccc5c4)cc3)[nH]c2c1	33741462	PYCSRZKYUHVXIN-IWIPYMOSSA-N	415.496	6.668	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1	33795618	URUSHOKGMPMFBO-BKUYFWCQSA-N	400.434	5.637	50	40	HKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3s2)cc1OC	34896389	LXHDLMUXRJNLDM-JYRVWZFOSA-N	415.312	5.530	50	40	HKGB	
CCCCCC(=C\c1ccccc1)/C=C(\C#N)c1nc(-c2ccc(OC)cc2)cs1	44835343	VITOVRAQSLMQHE-CVFALDEMSA-N	414.574	7.390	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1Cl)[C@H](Br)C2=O	100868268	AHSLWDCWEZENFO-CSMYWGQOSA-N	419.146	5.091	50	40	HKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c2C)cc1	107680117	LZQMLQAWCBNOFO-MOSHPQCFSA-N	410.477	5.130	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)cc1	208314350	FXOFQINHZZVPFY-WRDGEJPTSA-N	417.553	5.743	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1)[C@H](C)CC(C)(C)N2C(C)C	223606159	CWQSUHIHEAJQEJ-BDBXIWDTSA-N	419.544	6.180	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1Cl	408798664	WOUOSSLJMCBRRM-ACCUITESSA-N	415.301	6.283	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(Cl)c2)c1C	408846258	IZKMVPKQEHAVEV-QFEZKATASA-N	408.933	5.774	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2F)C2=C(CCCCC2)C1(C(F)(F)F)C(F)(F)F	2290035	MTGVSBKUJTUSHK-UHFFFAOYSA-N	419.344	5.669	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)c1	4817216	LKLSOPOZCUQHTE-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	9096146	VOSBNNBYIMQNBN-ZPTUKXPCSA-N	403.501	5.105	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3cc(OC)c([N+](=O)[O-])cc3C)n2)cc1	9313354	MEIXVIWZGMZJLO-SFQUDFHCSA-N	420.494	5.574	50	40	HKGB	
O=C(N/N=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1)c1cc2ccccc2[nH]1	9553563	IRRHMLNGTPTKQT-KDJFERLWSA-N	415.496	6.017	50	40	HKGB	
O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(O)c(CCCl)c1	58063311	ILVGGSCIANTUAK-RMKNXTFCSA-N	413.882	5.706	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	408771244	DTOODHUXJZUAFK-UYRXBGFRSA-N	423.387	7.763	50	40	HKGB	
CC(=O)NC1=C(C#N)[C@H](c2ccc(Cl)cc2)c2cc(Cl)c3ccccc3c2O1	692236	LOUYSNQVPZOGAP-HXUWFJFHSA-N	409.272	5.542	50	40	HKGB	
O=C(CCn1c2ccc(Cl)cc2c2cc(Cl)ccc21)N/N=C/c1ccccc1	2344621	KSPOXDLWODDWCR-AFUMVMLFSA-N	410.304	5.642	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1	36159473	VQXATNUKEXNIJY-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1OCc1cccc(C(F)(F)F)c1	55053958	YTPKGQLJUSSWMA-YVLHZVERSA-N	417.427	5.815	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	59224626	XWBWFYXVXHZKJH-YBFXNURJSA-N	420.871	5.912	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1	408538100	JBDWSGHACAOJST-JXAWBTAJSA-N	412.917	5.853	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	408760416	YIWRWHGJEUSITB-ULJHMMPZSA-N	418.496	6.273	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)[nH]c2cc1C	408788038	ADISFKWMEZSCJQ-JCMHNJIXSA-N	422.576	6.949	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408874824	DGZNVILJLZZXKJ-FNHZKQIWSA-N	419.956	5.619	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1ccc(Cl)c(Cl)c1	409121672	VOEMVFWOOTYHHP-QPSGOUHRSA-N	422.164	5.684	50	40	HKGB	
C1=C(C2=N[C@H](Cc3ccccc3)CO2)[C@@H](P(c2ccccc2)c2ccccc2)CC1	1857777458	YNQBFWDXHNWFIH-GJZUVCINSA-N	411.485	5.248	50	40	HKGB	
O=C(COc1ccc(Cl)cc1Cl)NNc1c(Cl)cc(Cl)cc1Cl	3667424	CEYFWIPSWLHSOF-UHFFFAOYSA-N	414.503	5.476	50	40	HKGB	
N#C/C(=C/c1ccc(F)cc1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1	32639068	HVBNGKBQQYOJHI-KAMYIIQDSA-N	421.478	5.920	50	40	HKGB	
CCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528229	WCVXDWOJOAQOAG-NSHDSACASA-N	400.213	6.518	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2c1	408769108	NZJHSZAMABKLSR-RGEXLXHISA-N	400.478	5.491	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)cc1	408866097	GIDVVZTZDBMLFQ-XSFVSMFZSA-N	404.872	5.924	50	40	HKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)cc1	408884942	ZHNUIDJUMHDSHP-GZTJUZNOSA-N	420.827	5.244	50	40	HKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(Cl)cc2Cl)ccc1Br	408904372	ILINGFQSCLECBC-UWVJOHFNSA-N	401.091	5.220	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@@H](C)CC)c(Cl)c3)cc2c1	409187114	MFRKKKAYRDMWFA-ARCFYCQJSA-N	414.889	5.426	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccccc1Br	409202410	SKBQHTAKWBSPHF-PDGQHHTCSA-N	422.282	5.829	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc1OC	409378218	NPJWZIIUVMBICU-WBILBPDKSA-N	424.928	5.372	50	40	HKGB	
CCCc1ccc(-c2ccc(C(=O)[C@@H](Br)CBr)cc2)cc1	575358718	ALNKJQYCQWHZLB-KRWDZBQOSA-N	410.149	5.647	50	40	HKGB	
Cc1cc(C(C)(C)C)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3170369	FKZKIDBANQDGGB-VULFUBBASA-N	424.928	5.735	50	40	HKGB	
Cn1c(C(=O)N/N=C(\c2ccccc2)c2ccc(C(F)(F)F)cc2)cc2ccccc21	9519996	AOHFQEUNYNQJGR-XAYXJRQQSA-N	421.422	5.380	50	40	HKGB	
C/C(=N/NC(=O)CCn1cnc(-c2ccccc2)c1-c1ccccc1)c1ccccc1	13646742	XZJGXWIMHDLYAU-RRAHZORUSA-N	408.505	5.148	50	40	HKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc(C2SCCS2)cc1	15434515	BJHOXSHARWYTBY-UHFFFAOYSA-N	419.786	5.882	50	40	HKGB	
N#C/C(=C/c1ccco1)c1nc(-c2cc3cc(Cl)cc(Cl)c3oc2=O)cs1	16430035	BQBUCCNPCFQVEN-WZUFQYTHSA-N	415.257	5.880	50	40	HKGB	
CCOc1ccc2nc(S/C(=C\C=C(C#N)C#N)c3ccc(C)cc3)sc2c1	16693085	OHXWFXOVGDRAPA-JAIQZWGSSA-N	403.532	6.110	50	40	HKGB	
COc1cccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)c1	17113505	JXOGMQVMWBSXAO-QGOAFFKASA-N	419.506	5.360	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)cc1	40006617	QWNDZFXLBCHCAJ-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c3ccccc32)c1	59201883	YRJNABZCTXOROT-HAHDFKILSA-N	419.528	6.161	50	40	HKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H](C)[C@]2(OO)C(C)=O)C1	70692203	SZGJLABGQCABNH-QIKFHYIKSA-N	406.563	5.024	50	40	HKGB	biogenic
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1	408733859	BJUGCLKYIQDWPR-NTEUORMPSA-N	407.813	5.362	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc([N+](=O)[O-])c1	409024937	ZOHHEMITGKYXGG-RGVLZGJSSA-N	417.899	5.225	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccc(C)cc3)cc2)cc1	409118652	OWBPLCYTVAAPOI-RHKYMZEHSA-N	418.562	5.513	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc2ccccc2c1	4838461	HTUHHRDYFBCOHW-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	33412759	WYIDGJBSKNKLDX-UVTDQMKNSA-N	406.835	6.202	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	59292128	MMCICRPFAREILN-GZTJUZNOSA-N	406.526	5.541	50	40	HKGB	
O=C(OC(=O)[C@H](c1ccccc1)C1CCCCC1)[C@H](c1ccccc1)C1CCCCC1	100473297	YYVKJPVHYXQDTL-CLJLJLNGSA-N	418.577	6.784	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)c1	408753744	HSVAJXAGYKAKRB-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1ccc(Cl)cc1	408787841	GWWRPNOZEDDCGP-ACCUITESSA-N	415.301	6.283	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1cccc(Cl)c1	409186669	GHMVENWVGHCNIK-NHDPSOOVSA-N	411.874	5.116	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1cccc(C)c1	409187991	DYYDJYFIVQLCAI-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409244777	IOEBRGOSWZPREJ-KAMYIIQDSA-N	414.408	5.995	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C/c2cc(C)n(C3CC3)c2C)c(C)n1-c1ccccc1F	5577933	JOQQLIFVKCFXPK-DEDYPNTBSA-N	401.485	5.776	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c3ccccc32)cc1	6025260	AEZSNIOBLCNANC-STZFKDTASA-N	402.501	6.247	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)N/N=C/c1ccc(Cl)cc1Cl	17063124	RAEAXHGIBOOHBA-PHRFHZNXSA-N	413.091	5.357	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCCC3)c2C)cc1Cl	18194374	KOUUUQUHSVDUCL-DEDYPNTBSA-N	409.961	5.802	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1cccc(C(=O)O)c1	408851822	AGETVUZJCOSCRA-JAIQZWGSSA-N	403.409	5.176	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3Cl)c2C)c1	409063940	OBNQXVPHOURYRJ-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cc2ccccc2o1	2303593	ISBLRSOBZWPYKP-OGLMXYFKSA-N	420.468	5.929	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	6389027	YHVMLMPXYYXRPC-ZRDIBKRKSA-N	402.306	6.102	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1cccc(Cl)c1	14134459	SFEZNIKLBQOJJY-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
CC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Br)cc2s1	20132346	PXWMACDNLMXEMX-SNVBAGLBSA-N	420.170	5.294	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c1	28216691	KNWDJTFILWGMSE-RASHHNMQSA-N	405.567	5.175	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	100843675	ZUIQXPIETQEAJU-DHZHZOJOSA-N	408.260	6.372	50	40	HKGB	
CCCCCCCCCCCCC[C@@H](I)CC(F)(F)F	103528460	PSCKDWSOSVMZNL-OAHLLOKOSA-N	406.314	7.444	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc2C(C)=CC1(C)C	208523886	ACPOGNVYKGIHGY-VULFUBBASA-N	409.961	5.743	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1	408759312	CAACDAQNRLNETE-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(N2CCOCC2)cc1	408773389	VCRGNJFNKDEDIV-JCMHNJIXSA-N	417.940	5.648	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1	408963245	YKOYSPZUPDOBGF-AQTBWJFISA-N	400.434	5.061	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccco1	409032976	JZMVEOXGNKXOBD-BHGWPJFGSA-N	412.276	5.353	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1Cl	409054199	SLLYKPTWDSUMDM-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OCC	409202992	UAWBMVVWLFXVQQ-DHDCSXOGSA-N	417.259	5.219	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1F	409203215	VASZSZXHEJTNBS-ZHZULCJRSA-N	411.436	6.110	50	40	HKGB	
O=C(N/N=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cc2ccccc2o1	409234910	ALQRTAQYBKLPKB-JFLMPSFJSA-N	411.436	5.339	50	40	HKGB	
Cc1cc(C)c2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc2c1	786859	REGAGINRSYAWET-JOCHJYFZSA-N	411.892	5.876	50	40	HKGB	
CCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)Nc2ccccc2)=C(C)N1	1445044	FURUYRXHOORCNG-HXUWFJFHSA-N	409.942	5.428	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1csc2c1CCCC2	2307269	IOSQMKPRDOQYJL-AUEPDCJTSA-N	419.333	5.958	50	40	HKGB	
CCCCCC1=CCC/C1=N\NC(=O)c1ccccc1OCc1ccc(Cl)cc1	6427505	XIIOVCDGYZLRKG-XTCLZLMSSA-N	410.945	6.305	50	40	HKGB	
O=C(O[C@@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccccc1	8471171	FAAYUPUOVJOZCR-TZIWHRDSSA-N	409.279	5.231	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1	33417839	SQXOMWPAYAUEPM-JCMHNJIXSA-N	403.478	5.076	50	40	HKGB	
CCC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(C)cc2)c1-c1ccccc1	34696385	MCINQHJFBZKSRC-USHMODERSA-N	407.517	5.980	50	40	HKGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	58927894	WRKUZCRLYNZFQO-ZVHZXABRSA-N	410.926	5.161	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(C)cc(C)c2nc1C	98087143	GQUAZMPCPFQBKS-JFLMPSFJSA-N	411.505	5.476	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)SCCSCCCl	104351998	FPIUKELXXREEHM-UHFFFAOYSA-N	423.172	8.480	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(C)c2)cc1	207151591	VHIFBMQPECQLHH-CJLVFECKSA-N	412.489	5.518	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1OC	408578792	AYLRGZRLQLAJCK-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1	408788153	BLNVOHCUWYMOSH-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792517	KLVLAHIINQAQTM-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)c1	409391422	JGGNODQEJDRJDQ-LQKURTRISA-N	410.521	5.118	50	40	HKGB	
C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1O	4548075	AGPBEUZIPKTZMM-LFWZTCNZSA-N	417.292	5.160	50	40	HKGB	
COc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1	4928084	XLJJWOZNAMWNNG-LQKURTRISA-N	413.452	5.204	50	40	HKGB	
CC(C)N1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1	55082670	AMSFXNHJMKHNEU-UHFFFAOYSA-N	420.944	5.145	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2[C@@H](C)CC1(C)C	223528046	CZKRRHVDWRTEHO-XHCMJAMOSA-N	418.368	5.869	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1	408582070	LNZQYASUXLNFKE-UDWIEESQSA-N	419.864	5.690	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	408727109	YKHIAHNQPPHXTI-UNOMPAQXSA-N	410.300	6.645	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc1Cl	408735504	TTWRGOUBEQEXMN-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)cc1	408852615	UVRUTBCUNQJYRQ-JFLMPSFJSA-N	417.553	5.810	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408950749	UFECQFWKAUDCFA-OTTIKCOKSA-N	400.862	5.036	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Br)c3)c2C)cc1	409185402	YMIWXBYXRJNQIW-MOSHPQCFSA-N	421.338	6.320	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	5675532	LLTSMJMRMXKERN-DEDYPNTBSA-N	403.865	5.717	50	40	HKGB	
CCCc1ccc(C(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2cccnc2)cc1	5867386	JGQQBVPLELNEBY-XQNSMLJCSA-N	418.500	5.677	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)C1CCCCC1	6052359	KKAUGAMJYGFEIQ-OVVQPSECSA-N	417.578	6.213	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br	6603726	PCIPZUXMWOXFNH-IXGURIBZSA-N	406.323	6.844	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)cc1	12363401	GMCJDXQKUIREGJ-NDENLUEZSA-N	403.409	5.176	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1	33739423	RNYLZOOZABVETG-YDZHTSKRSA-N	419.462	5.125	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1nc2ccccc2[nH]1	107574430	ZMQSAZVEMRJONT-CJLVFECKSA-N	424.507	6.783	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1OCC	408540409	RJGPMNZMIVJKCH-JLPGSUDCSA-N	402.922	5.462	50	40	HKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408569957	RFULULPFMOMJKZ-QPEQYQDCSA-N	400.251	5.316	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)NCCCc1ccccc1	409248931	LWZHBKQQUGVKRO-QJOMJCCJSA-N	414.480	5.061	50	40	HKGB	
COC(=O)COc1ccc(/C=C(/C#N)c2cccc3ccccc23)cc1Br	409320410	DCXAQFJASMSKQT-BOPFTXTBSA-N	422.278	5.218	50	40	HKGB	
Cc1c(/C=C(\C#N)c2ccccc2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1	409366321	UHUGOQKNJOKLGF-XSFVSMFZSA-N	417.339	7.369	50	40	HKGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)C1	5415829	FEDLFDYCDICBCJ-XITAALQNSA-N	412.533	6.229	50	40	HKGB	
N#C/C(=C/Nc1cc(Cl)cc(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	9070690	SFDZYOQDPJGMIM-XFXZXTDPSA-N	417.277	6.002	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc(Cl)cc1	59447348	QUXWTFZLZVWTSU-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
O=C(CCl)Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1	59461281	ZRXKXHKAGFQURV-UHFFFAOYSA-N	417.770	6.073	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1cccc2ccccc12	59534550	MQMULAWVJAYRQD-KGENOOAVSA-N	411.530	5.532	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3C(F)(F)F)n2)cc1	100601036	AAHOIKRCNNTBRS-QINSGFPZSA-N	415.440	6.204	50	40	HKGB	
CCCCCCCCCCCCCCCCNC(=S)N/C=C(\C#N)C(=O)OC	104304049	XZSKSXSMKAWCGQ-FMQUCBEESA-N	409.640	5.512	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc21	208247536	BPSFTIOBGZXOQX-WSLMLHKMSA-N	407.945	5.285	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@H]3C)cc1	260565701	JPGFGGTYGFHLRA-HBEGMLAUSA-N	415.581	6.215	50	40	HKGB	
O=C(N/N=C\c1cccc2ccccc12)c1ccc2c(c1)CN(c1ccc(F)cc1)C2	408728469	MYMIPCTWKHNLNG-MBTHVWNTSA-N	409.464	5.263	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)c(C)c1	408933775	BFDNWISAAAAXJK-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccc(F)cc1	409021841	BJZKQOPTSZTCAO-QBFSEMIESA-N	414.914	6.237	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1)c1ccccc1	409092668	WAICQBGBOIRESR-BOPFTXTBSA-N	410.351	6.470	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1cccc2ccccc12	409235073	NSDSHUKBFPKKET-QRQIAZFYSA-N	412.464	5.251	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)sc(C)c1C	1453416	SSNKCLQINLBPJX-NTUHNPAUSA-N	423.321	5.394	50	40	HKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccccc2Cl)c1	2186698	VIDLVDGYLQLSFW-PSZYXBCASA-N	402.925	5.413	50	40	HKGB	
N#C/C(=C/c1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1Cl	4196533	VAVFGPKCHNZVCN-JXAWBTAJSA-N	410.300	6.515	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OC(C)C	5678033	MDGUCBCZLBZZCK-OVCLIPMQSA-N	419.308	5.643	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)c1	28215931	BOZFIFPMBGALJQ-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccs1	58871475	HNXDNKMWCBZKKW-SSDVNMTOSA-N	405.306	5.398	50	40	HKGB	
C[C@@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	100231831	VOSBNNBYIMQNBN-XRHMKFSDSA-N	403.501	5.105	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1C	408811093	NKZQTBNPKISVPL-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=C(\C#N)c2ccccc2)c1	409041079	ICRULISBROTHPR-DEDYPNTBSA-N	402.881	5.730	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OCCC	409072262	RHZLFUPVSLQKRG-QGOAFFKASA-N	410.901	5.412	50	40	HKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2)s1	1905709	VBFNTPOKNWZYFX-XMHGGMMESA-N	403.507	5.068	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	20763767	HBLBLRZYLPGHGG-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	59225063	MBWNDTXNXOVTKY-LFIBNONCSA-N	416.399	5.215	50	40	HKGB	
Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc12	102372817	RHAFMPGZIHOJLW-UHFFFAOYSA-N	417.512	6.642	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	408527415	FQBTTXZLUKIAGO-STBIYBPSSA-N	423.516	5.289	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CC3(C)SCCS3)c2C)cc1Cl	408589981	NTHPFIGCFAJAAL-WSDLNYQXSA-N	422.019	5.092	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408804226	DMFLKTJDIIQTCL-RIYZIHGNSA-N	419.706	5.435	50	40	HKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cc(C)cc(C)c2)cc1	408872137	LFGDAQKQQJAXRO-LFVJCYFKSA-N	424.500	5.227	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c(C)c1	409018851	XBBPHTZOIRDFIP-ZMFRSBBQSA-N	419.912	5.874	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	409048199	RGBKTKLEMCUMQC-CXUHLZMHSA-N	403.309	5.945	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)cc(Cl)c1OCC(=O)OC	409309511	INMZGNSRDYWEDR-WOJGMQOQSA-N	421.880	5.508	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1	409364066	VOIYRDBROLICIQ-UYRXBGFRSA-N	403.312	7.061	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)c(C(C)=O)cc1OC	1245009	MUULSQUCQXTXIB-SFQUDFHCSA-N	419.506	5.315	50	40	HKGB	
O=C(CCl)Oc1c(Br)cc(-c2ccccc2)cc1Br	1621392	YEPSEMKYAVJAQM-UHFFFAOYSA-N	404.485	5.023	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4ncccc4c3)n2)cc1OC	1790063	YJBKDYMDXTZWEY-GHRIWEEISA-N	414.490	5.352	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3c(C)cc(C)cc3C)c2)cc1	3304616	NLISTZKOAVDMJS-ZVHZXABRSA-N	410.517	6.045	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc2ccccc12	6496712	ZDDYAHOTSKNKMA-OVVQPSECSA-N	411.504	7.636	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1cccnc1	10002744	ACSATNDSQBEUCM-RPPGKUMJSA-N	423.303	5.155	50	40	HKGB	
COc1ccc2cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c(C)nc2c1	12509995	WBAFODPQNJTBIO-UHFFFAOYSA-N	410.688	5.269	50	40	HKGB	
CC1=C(C#N)[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19832402	IVBFHZGZKMUSMP-HTAPYJJXSA-N	419.322	5.334	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	28217502	ZDRJOPQRJFILIA-FSJBWODESA-N	401.297	5.557	50	40	HKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc(C#N)c1	33719145	KKJHDKIJRHGHLB-JAIQZWGSSA-N	405.284	6.508	50	40	HKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	59136580	IQOCFYZSKTZQET-BRJLIKDPSA-N	406.791	5.312	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1ccc(Br)cc1)c1ccc2ccccc2c1	59303096	UNHUMTDXAYEXGT-BUVRLJJBSA-N	418.294	5.157	50	40	HKGB	
CC(C)(Cl)[C@H](Cl)CC/C(CBr)=C(/Cl)CBr	104310990	NWPBPKLFGPSJGT-UFGYOYAJSA-N	401.397	5.674	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208208908	HXDKWVGPTFVTKK-LFWZTCNZSA-N	404.341	5.479	50	40	HKGB	
Cc1c(Cl)cccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)o1	252485607	HABGORRUBKVNDL-QGOAFFKASA-N	404.897	6.578	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)O)c(Br)c1)c1ccc2ccccc2c1	408548526	IEHQXQPFFNEMPI-NVMNQCDNSA-N	408.251	5.130	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)ccc2C)c1C	408746448	ZGKGUOHVVMBIHL-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccccc1F	408868579	NTEREOVIUKJXNZ-LDADJPATSA-N	408.835	5.755	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408963868	BCZVPOMRYOULQP-YSMPRRRNSA-N	406.505	5.686	50	40	HKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(Cl)cc1Cl	409094013	CIOGDKAWXUFJKM-DHDCSXOGSA-N	403.309	5.675	50	40	HKGB	
Cn1cc(/C=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)c2ccccc21	3144913	SYZQHULPXYMVKH-JFLMPSFJSA-N	419.569	5.421	50	40	HKGB	
O=C(CSc1c(Cl)cccc1Cl)NN=C(c1ccccc1)c1ccccc1	4013724	QJZNDDMXGBFBKP-UHFFFAOYSA-N	415.345	5.654	50	40	HKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1	5906732	OXGOXWXDVAHIKK-VUTHCHCSSA-N	423.516	5.763	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1	11853101	VNGRCVHDKVPIFM-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	34838928	OMKPINITZOLGRK-MLJKTZRHSA-N	419.308	5.725	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc3ccccc23)cc1)C(=O)Nc1ccccc1	59116757	SIEIGXZVIOBMBT-HEHNFIMWSA-N	418.452	5.605	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]21C	68568913	OTVRYZXVVMZHHW-LRNJOANXSA-N	405.110	8.635	50	40	HKGB	
Cc1nc(-c2ccc(/N=C\c3ccc(N(CCCl)CCCl)cc3)cc2)cs1	104055992	LOLFTQDZHXHGGQ-OYKKKHCWSA-N	418.393	6.153	50	40	HKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)s1	706065	BUSNFOBDALBLIF-NRFANRHFSA-N	421.541	5.489	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)o1	8301701	DTJKSOITPPOERK-XNTDXEJSSA-N	414.421	5.421	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	33410189	LZFRLNSEEXEIJJ-ULJHMMPZSA-N	409.533	5.876	50	40	HKGB	
Clc1ccc(S[C@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1	100401818	RUXRATSOLYSMAL-FDPIWHGQSA-N	408.792	5.469	50	40	HKGB	
O=C1Oc2ccccc2C(=O)/C1=C1/SSC(c2ccccc2)=C1c1ccccc1	104199815	LQAFJOXGTGBZNP-ATJXCDBQSA-N	414.507	6.006	50	40	HKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1	408580251	NKANEAHOAQARAO-LDADJPATSA-N	423.299	6.075	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1	408817682	WOCWCUWEPUJDNY-XDHOZWIPSA-N	419.912	5.610	50	40	HKGB	
COc1ccccc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408850353	LYBVJMOWNZBBAZ-IMRQLAEWSA-N	409.489	5.225	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)c2C)cc1Cl	409387838	RXHKMJNTZXUNKG-JAIQZWGSSA-N	406.917	5.152	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1C	1249022	CCRRNCGXJUXWDU-LDADJPATSA-N	413.502	5.818	50	40	HKGB	
C=C(C)c1cccc(C(C)(C)NC(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	3231519	KHKZFPBHNBCPET-UHFFFAOYSA-N	412.748	6.241	50	40	HKGB	
C/C(=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1	5288834	KDJDHULYDKLUKF-WBDWPWCHSA-N	410.561	5.831	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)c1	17083012	KPWNLKQWYXUKLW-PXLXIMEGSA-N	404.554	5.812	50	40	HKGB	
COc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	209400595	VPCRXBCBIGGWGC-VGOFMYFVSA-N	407.105	5.593	50	40	HKGB	
CC1=CC(/C=C(/C#N)C(=O)NC(C)C)=C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1	408786820	OGFNHXIHUDWZGP-LMSRTUJASA-N	412.533	5.600	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)ccc1OCC(C)C	408803423	OSFGUTVDUQTSKU-VCHYOVAHSA-N	412.917	5.628	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409203852	ZFIJUIRNJBIVAI-ATTDUZETSA-N	401.260	5.599	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	409208286	AHWGSOKMVNGEIV-KQWNVCNZSA-N	420.468	6.700	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)o1	409370868	CKQUSCDRXZXYOP-JFLMPSFJSA-N	407.473	5.508	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc2ccccc12	409392858	SOCRMLLRTFZCSZ-OGLMXYFKSA-N	411.505	5.344	50	40	HKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc(C(C)(C)C)c1O	4503323	ICMDENBWWBGCJY-WJDWOHSUSA-N	410.945	6.186	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3Cl)n2)cc1OC	9183486	DKSIYQWCJCSMLR-AUWJEWJLSA-N	417.317	6.198	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC	13659211	KCURUNOHADYZOR-MFOYZWKCSA-N	406.507	5.517	50	40	HKGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/CCCC[C@@H]1C1CCCCC1	103460395	MRNOPJWKZQNAFM-DFBXPRTLSA-N	404.982	6.050	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)cc2[C@H](C)CC1(C)C	208301979	BGPMDHDWMOXOGO-KSXCTLEASA-N	419.525	5.317	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3cccc(C)c3)n2)cc1	408726023	RJYQYUNEGHULEC-WPWMEQJKSA-N	408.505	5.228	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)c(Cl)c1	408866118	FTVMNLHGKIPSGN-UDWIEESQSA-N	421.327	6.438	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CNc2ccc(C)c(C)c2)c1C	408961352	RVUNKBSZGRRDBN-RWPZCVJISA-N	416.569	5.144	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1	409018421	VDHMOHUSGUAROK-RGVLZGJSSA-N	417.899	5.225	50	40	HKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	1303956	CFZZJNADGWLFQQ-KGENOOAVSA-N	401.535	6.188	50	40	HKGB	
C[C@H](Br)CN(C[C@H](C)Br)c1ccc(-c2ccccc2)cc1	1557985	VVSWJIINKNWIDS-GJZGRUSLSA-N	411.181	5.727	50	40	HKGB	
CC1(C)C=C([C@H](Br)c2cccc(Br)c2)C(=O)c2ccccc21	1754596	BMPIYTWTRDRZMO-QGZVFWFLSA-N	420.144	5.986	50	40	HKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	2785378	GEZHAWNDLGPFRZ-SDNWHVSQSA-N	406.825	5.152	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4cccc(F)c4)CC(=O)N3C2)cc1Cl	4923508	PLCRITHEBJOOKC-KRWDZBQOSA-N	413.905	5.007	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccccc3C(F)(F)F)n2)cc1	5591183	CHDCGGDHXIHKCP-UYRXBGFRSA-N	412.480	7.236	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693148	GUZPAFYJZCGFAS-GOSISDBHSA-N	423.969	5.430	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1ccccc1	40889232	BBHNBEKTLOHUJE-STZFKDTASA-N	402.881	5.142	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1	209483070	FPHYXRUVNAELCI-WSDLNYQXSA-N	403.909	6.609	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4)c3C)[nH]c2cc1C	408759283	BGLREFSTQFQPSR-ODLFYWEKSA-N	400.913	6.305	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1cccnc1	408771572	HZVFNRATDAOCAD-SXGWCWSVSA-N	411.292	5.342	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(Cl)cc1Cl	408788745	GMVVWIMRMDMRTI-GHXNOFRVSA-N	418.663	6.669	50	40	HKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4cccs4)cc3)cs2)cc1	408840114	BFJBLRFLRLZLSG-YDZHTSKRSA-N	418.547	5.688	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccccc3OCc3ccccc3)cc2c1	409188247	XSULRIHUZNFVJC-QQXSKIMKSA-N	414.461	5.174	50	40	HKGB	
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2	714318	YNOUDJJECFHQAN-DEOSSOPVSA-N	404.473	5.066	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(OCC)cc2)cs1	6353123	UOKJLQFKKHLOJB-SAPNQHFASA-N	419.506	5.362	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C)c3C)c2C)cc1	15012229	XSBCEJAEMAFDFA-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
CCC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1	20132719	GQHOEXLHRZIODA-HNNXBMFYSA-N	419.344	5.377	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1	35112224	FCXGOCLPOSUQJM-BOPFTXTBSA-N	406.411	6.053	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1	44827455	JBJLGNBESQMQIQ-LZYBPNLTSA-N	404.878	5.943	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccccc1Br	408599186	PSPJKIFDFKIJIK-WQRHYEAKSA-N	411.730	6.574	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c3ccccc32)cc1	408798740	WXMUUDHCJOKZSX-HZHRSRAPSA-N	419.528	6.161	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c(C)n1-c1ccc(C(C)(C)C)cc1	408811478	RCWKMLQDXVKSCD-NTRWAZQHSA-N	417.597	5.994	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(C(C)C)cc1	409232598	AECRAHQDLLGBFX-WYRWUVFZSA-N	411.549	6.002	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(F)cc1)C(=O)NCCCc1ccccc1	409232632	APJUHQFLZPQQFI-QJOMJCCJSA-N	414.480	5.061	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	409238167	WARHVWVNJYTCPV-KAMYIIQDSA-N	415.802	5.695	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)[nH]c2c1	409390566	FHPDAIYSAUYTHE-DHDCSXOGSA-N	400.394	5.112	50	40	HKGB	
Cn1c(/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)nc2ccccc21	4342272	UQZVGXLKBYVBHN-OQKWZONESA-N	415.496	6.370	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)c2c1	13942810	GWPNUPRKNXNPOR-XSFVSMFZSA-N	414.505	5.800	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c(C)c1	30843568	LUMHPVXNCHDKAO-WGARJPEWSA-N	422.912	5.065	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1cccc([N+](=O)[O-])c1	108057607	UZVODOCKVWPWQT-UNOMPAQXSA-N	424.416	5.570	50	40	HKGB	
CCN1c2ccc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc2[C@H](C)CC1(C)C	208308330	PCYPFMKGUZCQQU-UWOKGBPVSA-N	423.564	5.807	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)c1	208472069	LTWBJMHAQKCHGW-MFOYZWKCSA-N	421.928	5.526	50	40	HKGB	
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409036188	AKORCUYYNSUDAR-YUMHPJSZSA-N	404.473	5.455	50	40	HKGB	
COc1ccc(Br)cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	659714	IPQQTZMLDRLZPF-FSJBWODESA-N	423.266	5.121	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1	1579737	WCNBYSYJSYTJQN-YRNVUSSQSA-N	403.278	5.454	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC	2162440	DJUPKBVLJGCPHX-WGOQTCKBSA-N	416.477	5.537	50	40	HKGB	
N#Cc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	3251130	XLNZBLQELMQOSE-AFUMVMLFSA-N	405.910	5.268	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)COc2ccc(Cl)cc2Br)CC1	4694334	KZJOQPQPCHGFBY-UHFFFAOYSA-N	415.759	5.190	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(Br)cc1F	6389991	REMPLRBLGRLVAX-YBEGLDIGSA-N	413.265	6.199	50	40	HKGB	
Cc1c(C(=O)O)cccc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1	12372442	GEZHAWNDLGPFRZ-KAMYIIQDSA-N	406.825	5.152	50	40	HKGB	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3ccccc3Cl)c(-c3ccccc3)nc12	16742445	PIBNYDXSLMRWIM-NBVRZTHBSA-N	412.880	5.509	50	40	HKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1	20132946	OBNRAMPNBPCVAL-MRVPVSSYSA-N	424.133	5.090	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1cccs1)c1ccc(Cl)cc1Cl	27519975	RECXDWGFEHQRCE-SSDVNMTOSA-N	418.305	5.071	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2C)o1	58832742	JIASSXIGEKRZNW-FOWTUZBSSA-N	421.294	5.872	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	59535585	VVMJYNOTJIVCHP-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1c[nH]c2cc(Cl)ccc12	98054941	OTPSTVJHPJEWAX-VGOFMYFVSA-N	407.260	5.450	50	40	HKGB	
CCCCSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	103158732	PSBKBDZNJZYZIY-QGZVFWFLSA-N	407.366	6.796	50	40	HKGB	
C/C(=N\NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C)c1ccc2ccccc2c1O	105495924	YCPVGOKHGABZQE-JVWAILMASA-N	415.468	5.246	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc2ccccc2c1	108198325	AGMUQCWYSXXSGC-IWIPYMOSSA-N	423.487	7.021	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Cc2ccccc2F)c1	408864997	BBBQOWBKQQFIRK-XDHOZWIPSA-N	404.416	5.110	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2ccc(C#N)cc2)cc1Br	409368423	UWWPNJQJVSBTAX-UUASQNMZSA-N	402.089	5.456	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1nc(-c2cccc(Br)c2)cs1	3310607	KGIARGKYOVVDMR-OQLLNIDSSA-N	410.296	5.118	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccc(F)cc1	18173416	MNNVNSVEAWXCQJ-FMIVXFBMSA-N	411.776	5.193	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccccc1Cl	28216412	SGIHXUWMTRTRTA-PTZPRWATSA-N	411.958	5.378	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1	59116864	QZKPFBRRGXWYCP-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccccc3OCC(=O)Nc3ccccc3)[nH]c2cc1C	408542494	JEWYEEJYUVLWPA-XSFVSMFZSA-N	422.488	5.261	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	408551162	LSSCBAUQWOTINO-JLPGSUDCSA-N	406.441	6.391	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408789855	SBWHRSQNCZNBDM-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(F)cc1	408848213	QYBOBYWUKQLIKL-CJLVFECKSA-N	422.459	6.104	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3cccc4ccccc34)cc2)NC(=O)N1	409367580	FLQAMKCAQUBBHS-QHCPKHFHSA-N	411.505	5.596	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccccc1	694366	QTTSMPMDQFMRSD-JVWAILMASA-N	407.473	5.757	50	40	HKGB	
CCCCc1[nH]nc2c1[C@H](c1ccc3c(c1)c1ccccc1n3CC)C(C#N)=C(N)O2	5148278	SZGSLUGMWXLUIH-JOCHJYFZSA-N	411.509	5.098	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc2ccccc2s1	6238117	LFAHHUPHYTXAAY-LFIBNONCSA-N	405.460	6.121	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1OC	35077650	RFKOSLCYDADDDP-WDZFZDKYSA-N	411.672	5.210	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1	40144531	ULCPVWDOGFAPGV-XMHGGMMESA-N	407.429	5.755	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	59137162	DVUXJXXFGBZWLB-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1	408755592	VXBLTZRWZXHZNS-SXGWCWSVSA-N	401.724	7.119	50	40	HKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)c(C)c1	408932242	VBPRMPPQABPCNK-MOSHPQCFSA-N	410.477	5.130	50	40	HKGB	
Cc1cccc2c(/C=N/NC(=O)CSc3cccc4ccccc34)c(C)n(C)c12	409030394	DDMNIQAHDBMECA-AFUMVMLFSA-N	401.535	5.191	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccccc2)o1)c1cc(-c2ccccc2)nc2ccccc12	409040223	SPNPRAPQPXSXPI-VEILYXNESA-N	417.468	5.926	50	40	HKGB	
Cc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1	409229861	AQOZSQDJFWKADH-AQTBWJFISA-N	413.443	5.550	50	40	HKGB	
N#C/C(=C\c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1	4837621	OFOINCQVOGAHLM-NTEUORMPSA-N	401.716	6.290	50	40	HKGB	
O=C(/C(=N\N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	5124623	HYFDCAFVXUSGCN-FVDSYPCUSA-N	404.469	5.621	50	40	HKGB	
Cc1c2ccccc2c(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c2ccccc12	38534882	VFJZMJYBWOSMGT-LGJNPRDNSA-N	407.300	6.372	50	40	HKGB	
CCN1c2ccc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc2C(C)=CC1(C)C	208512896	PDVVJMAUVUJCEK-JAIQZWGSSA-N	421.548	5.717	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408587135	QVSSLJXLEQSSCS-UDWIEESQSA-N	417.339	7.369	50	40	HKGB	
O=C(N/N=C\c1ccccc1Cl)c1ccc2c(c1)CN(c1ccc(Cl)cc1)C2	408728377	KQMWRHPYOLLWMT-ROTLSHHCSA-N	410.304	5.278	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1ccc(Cl)cc1	408747021	XYVFKGKIUPXPCQ-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408766892	UIRKSJXHEMQUHL-WQRHYEAKSA-N	423.299	6.118	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Cc2ccccc2F)c1	408878036	ZCDGMDZCQMACLR-YBFXNURJSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c(C)c1	408968398	YKWDWACGXRNAPH-DICXZTSXSA-N	411.509	5.415	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCc1ccc(C(=O)O)cc1	409074344	ZGXKIRIZMSVNRD-RGVLZGJSSA-N	419.864	5.690	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3cccc4ccccc34)cc2[N+](=O)[O-])cc1	409313107	BJKKFGGVSXEXMJ-RCCKNPSSSA-N	422.509	7.272	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)sc2c1CCCC2	1453371	TUNMFPLJVPIKKQ-SDNWHVSQSA-N	414.914	5.003	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)cc1	4503871	MMEZDAHJVHGVOL-HMMYKYKNSA-N	412.445	5.201	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)cc2)cc1	6861070	NVVUQCLKCROWCT-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C	9614439	CEUVROLDALPDPG-VULFUBBASA-N	422.912	5.065	50	40	HKGB	
Cc1cccc(NCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1	13285938	XFOZJAVYWICFOO-MYKKPKGFSA-N	402.281	5.124	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1cccc2ccccc12)c1cc2ccccc2o1	31844639	ISBLRSOBZWPYKP-QRQIAZFYSA-N	420.468	5.929	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1F	33733897	VMLNQHKZHMUDSS-HKWRFOASSA-N	413.879	7.275	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2C(=O)O)o1)Sc1nc2ccccc2s1	33750123	CETCBWMTNFAJED-SDNWHVSQSA-N	404.472	5.911	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(F)c1	59254924	TYERINSGVCFXCM-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)c2)cc1	59272397	VGKYHMZAMAKNKH-UDWIEESQSA-N	413.433	5.028	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2)cs1	100600979	ABPRHQJLVNCQOS-QINSGFPZSA-N	409.898	5.617	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1	408583214	SMCRPOHSDCZEEQ-DEDYPNTBSA-N	416.433	5.255	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)c1	408871560	HICXMDOUDMSLQF-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CN1c2ccccc2Sc2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)ccc21	409149779	QPUKIFZTRRXAAJ-FOWTUZBSSA-N	417.921	6.118	50	40	HKGB	
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)/C(C#N)=C/c1ccccc1	942696	WXSXZSXSMPOKDK-QGOAFFKASA-N	402.475	5.137	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	6430839	PMCZKMCHJZUWIE-KPKJPENVSA-N	406.212	5.351	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1cc(/N=N/c2cccc(C(F)(F)F)c2)ccc1O	6761750	FHKDADPIKUNRAN-VJWFXWEISA-N	408.380	5.685	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1	12561435	SDVRMYMJVMXVOU-MFKUBSTISA-N	419.352	5.960	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1	16268369	ZXCXFLMPKDATQT-STZFKDTASA-N	401.485	5.902	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1cccc(C(F)(F)F)c1	33332320	KJGVXWAERSQFJO-MXAYSNPKSA-N	400.404	5.269	50	40	HKGB	
Cc1ccc(N[C@H](c2ccc(O)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	100854562	XTIBPQGWBKFOOD-SANMLTNESA-N	413.457	5.825	50	40	HKGB	
O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1ccc2ccccc2c1O	408564137	UWEUKIMBZBSPDH-WGOQTCKBSA-N	402.494	5.122	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408742133	NFQZHXANSFDBRQ-NVMNQCDNSA-N	423.432	5.172	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCC	408794179	HVAYMSDBZMJOFN-RIYZIHGNSA-N	405.281	5.336	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1cccc(F)c1	408868962	QGICSFXCIVUUFA-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)CCCC[C@H]1CCSS1	524729005	UZOGNMXKVQWVGY-KXBFYZLASA-N	404.601	5.384	50	40	HKGB	biogenic
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1ccc(Cl)cc1	2278224	JIXOSOOWNHLCOH-RNODOKPDSA-N	411.288	5.202	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)cc1C	4922921	VGDDWUHOPWKPEO-GOSISDBHSA-N	409.942	5.176	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc(F)cc1	107867844	OLXPOSJZMLPIII-STZFKDTASA-N	417.455	6.345	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(F)cc2)CCCC1	225519776	YMSFBGQMIVHYCH-UHFFFAOYSA-N	406.295	5.050	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(F)cc1	408543590	PADGTSUJIFPBEN-BKUYFWCQSA-N	417.436	5.566	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408818008	YZMNTONXVGUCSR-USHMODERSA-N	423.516	5.615	50	40	HKGB	
CO[C@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	408859295	SBZGYAQJCMAERG-DOUQRPAJSA-N	403.265	5.091	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409021803	ZFRQPSOKNKVAIE-MTJSOVHGSA-N	401.944	6.017	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccncc1	409033063	KUHMPSQVMZUXHS-JFLMPSFJSA-N	415.880	5.231	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3o2)cc(OC)c1OCc1ccccc1	409070944	MKTZFJFRLDDNRA-PXLXIMEGSA-N	422.484	6.208	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1	954217	WICLFKCLLLQVCM-YBFXNURJSA-N	421.953	6.056	50	40	HKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1	954249	BXVVYDWZQNKVBF-CPNJWEJPSA-N	413.477	5.572	50	40	HKGB	
O=P(C(=S)Nc1cccc(C(F)(F)F)c1)(c1ccccc1)c1ccccc1	2577588	INCDBYWYGPIDBW-UHFFFAOYSA-N	405.381	5.416	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3081387	DERQZTUKGMEVQQ-VULFUBBASA-N	423.299	6.099	50	40	HKGB	
CC(=O)N(Nc1ccc(-c2ccc(/N=N/c3ccccc3)cc2)cc1)c1ccccc1	3845133	RUFPKGMAXZXEKU-BYYHNAKLSA-N	406.489	7.149	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1	6300581	YPSZAUKTHANPFC-AQTBWJFISA-N	415.474	5.600	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(OC)c1	35351970	JJZYVYFLWQFKQC-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)ccc1Br	58832626	UNFIPIRVPQXKSH-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408585810	IXRYMYVDBZAZRB-ODLFYWEKSA-N	410.300	6.645	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408748854	IIQMMLXIPYIERO-FOKLQQMPSA-N	403.265	5.334	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408818234	XFTXCQQAVUCWDZ-UDWIEESQSA-N	424.327	7.035	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1ccccc1F	408867246	KSRKJBZXYUAOIE-HYARGMPZSA-N	414.480	5.669	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2C)cc1	409187874	VITWPUKZAPBMMD-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Br)cc2)cc1	2410734	QVDAMKKFVFUEKI-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	30735491	SGYWTHYBMZYFOL-DICXZTSXSA-N	424.585	5.387	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(F)c3)c2C)c1	59137343	FMKFXEKVFWAUDG-UNOMPAQXSA-N	403.457	5.178	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c(Cl)c1	223547017	PCUVJFAORSSWAE-OXVLKEGXSA-N	411.977	5.913	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C	408804952	HPSQECGQWCZYDR-GFWTXXROSA-N	409.961	5.658	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(C(C)(C)C)cc1	408966659	MWCVEDMHJKWTNI-RDRPBHBLSA-N	423.560	6.309	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc(F)c2)o1)Nc1cccc(Br)c1	409008771	GRWCIOBJNSOLMB-NHDPSOOVSA-N	402.223	5.004	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl	2768780	NGURXJWBCGCTMC-ZUOKHONESA-N	411.288	5.202	50	40	HKGB	
CCOc1cc(Br)c(/C=C(\C#N)c2cccc3ccccc23)cc1OC	6354849	UVSSWDIOGSKRMM-GZTJUZNOSA-N	408.295	6.074	50	40	HKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1	9334805	YPONTWPFEJVQAM-WYMPLXKRSA-N	409.276	5.301	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Cl)cc1Cl	17063126	RAEAXHGIBOOHBA-JOYYRPCZSA-N	413.091	5.357	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3cccc(OC)c3)cs2)ccc1OC(C)C	17307209	CUQWMQGQWKLIHP-YBFXNURJSA-N	420.534	6.069	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1c(Cl)cccc1Cl	23724138	AEJYXDZDHDCMBJ-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	28215872	QUBQXJIHUVRQRA-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1	28467607	DBECEGJMZAVATC-XSFVSMFZSA-N	415.562	6.439	50	40	HKGB	
N#CC(NC(=O)c1ccccc1)=C(Sc1ccc(F)cc1)Sc1ccc(F)cc1	101434312	QWNLTXYMVOEXEC-UHFFFAOYSA-N	424.497	5.972	50	40	HKGB	
Cc1cccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCCC2)c1	225509407	JBASMRHKWUNUCT-UHFFFAOYSA-N	402.332	5.219	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(Cl)c2)cc1	408865311	CBMJOAKOAKUILF-YDZHTSKRSA-N	414.936	6.402	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1cc(C)cc(C)c1	408871885	YWXSYAMVVITZAO-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Cl	408879588	FJULRZGZIJXQDJ-BJMVGYQFSA-N	416.091	5.854	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)[nH]c2c1	409391212	HZGBRODWUIOJAI-ZHZULCJRSA-N	424.548	6.341	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Br)c2)c(C)n1C1CCCCC1	1102864	WQIXUULEOAFLFV-LPYMAVHISA-N	402.336	5.137	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ncccc12	2632858	FMNXJRNKULOSFW-LTGZKZEYSA-N	405.457	5.359	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCCc1ccccc1	33280581	MLTRRBOUJNTJRD-JXAWBTAJSA-N	410.395	5.231	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)cc1[N+](=O)[O-]	33782311	VDJNGWYDCKYOSL-LFIBNONCSA-N	419.487	6.430	50	40	HKGB	
C=CC[C@H](O[Si](C)(C)C(C)(C)C)c1cc(O[Si](C)(C)C(C)(C)C)ccc1OC	195501394	OVVPJUIZXCNNEM-NRFANRHFSA-N	422.758	7.718	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)Sc1nc2ccccc2[nH]1	408599268	RIVZJZYMCZIULD-DEDYPNTBSA-N	424.504	6.362	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc(N3CCCC3)cc2)c(C)n1-c1ccc(Cl)cc1	408677611	SRUASHLAQDBGQB-QQXSKIMKSA-N	420.944	5.112	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)Cn1cnc2ccccc21	408691791	QDKKMVVSHOSTIA-JCMHNJIXSA-N	415.496	6.376	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1	408755835	NHZJIGLVBRZOQJ-MTDXEUNCSA-N	409.533	5.503	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)c1	408796331	XVZISEQFPQATMJ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408866306	HFQDVOXUKNSOMO-WOJGMQOQSA-N	423.299	5.835	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1	409356756	HLBRRQNYEOWNDL-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
COc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1Br	409394209	XEXFYZKDWZPHAS-XGICHPGQSA-N	411.068	5.423	50	40	HKGB	
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)N/N=C/c1ccccc1Cl	1789630	YHTRYRBLEOJKSV-ZVBGSRNCSA-N	422.362	5.359	50	40	HKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1	5883896	NFTNBTJZKLCXKP-OAQYLSRUSA-N	414.509	5.207	50	40	HKGB	
Cc1c/c(=N\NC(=O)Nc2ccccc2)oc2cc3c(cc12)CCC1(CCCCC1)O3	70655957	RIGBNWYJCCTSDM-SLEBQGDGSA-N	417.509	5.407	50	40	HKGB	
N#C/C(=C(\S)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2s1	96996697	AFYCHPKEQOALHS-XNTDXEJSSA-N	411.861	6.203	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl	209482753	HXRKKDNAOFNIQZ-RGVLZGJSSA-N	424.327	6.954	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)Sc2nc3ccccc3[nH]2)o1	408599725	ZBDRQKHYFRWESE-CPNJWEJPSA-N	423.501	5.974	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)cc1OCC	408769620	XMDRPLWYBAWTAW-SILNSSARSA-N	419.525	5.042	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1	409244981	LOVXGEBVGPSZRX-MLPWYGTASA-N	423.491	5.613	50	40	HKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1	954307	BVYDRWQVLDRSAZ-GIJQJNRQSA-N	407.926	5.550	50	40	HKGB	
CCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(Cl)cc3)n2)cc1	1772461	GJBMODMYAGQMSV-LFIBNONCSA-N	409.898	5.408	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)s1	2759090	GYPPCCGEKAZLES-CVKSISIWSA-N	413.546	6.159	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cccn2-c2cccc(C(F)(F)F)c2)c1	4092139	SZMSDYYHCBWWLV-RVDMUPIBSA-N	411.383	5.050	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4719801	IIBUWZNCIKUHBQ-RUHLTXABSA-N	400.522	5.400	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1	4814116	APKIDACMGFVSFB-NHDPSOOVSA-N	403.663	5.126	50	40	HKGB	
C/C(=N\NC(=O)C(c1ccccc1)c1ccccc1)c1ccc(Br)cc1	5288053	YTLPHXYEBSQQMC-LFVJCYFKSA-N	407.311	5.121	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	9886327	POSPIQWQGQWICC-VULFUBBASA-N	417.896	5.116	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(C(C)=O)c3)n2)cc1OC	16890806	KZOGKLYVXJNOTF-ATVHPVEESA-N	405.479	5.006	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	26123733	UGVIMGGJFNKYAQ-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)cc1C	28216705	PMHLDUCXTOXHNT-YYHBXHNPSA-N	419.594	5.483	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1	39884576	BUIGKHQBUOCSLL-MDWZMJQESA-N	417.679	6.452	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccs2)c(C)n1-c1ccc2ccccc2c1	59534547	MLURCFMOWLMLAB-LPYMAVHISA-N	411.530	5.532	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c1	59535627	QHDCMCRHJYRKJX-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccc(Cl)cc1	59921649	YZLBXKCVFJOIAF-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](Cl)[C@H](Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl	100074630	BIWJNBZANLAXMG-PXURERNISA-N	409.782	5.683	50	40	HKGB	in-vitro
Cc1cccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c1	408555180	WBUUDSHDBCOKHC-GHRIWEEISA-N	412.518	5.143	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cc2ccccc2F)c1	408871190	YHZOOPJCDKFDIR-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)c1	408878877	DDGGSUJAYFBUKH-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
CCOc1cc(C)c(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1C(C)C	408953230	PGPPCRTZYAJGMA-BKUYFWCQSA-N	415.537	5.264	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	409110562	WMHNLLSGSMXYGM-MFKUBSTISA-N	409.530	5.174	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)C(=O)NC1CCCC1	409191024	YSWGQIDQHCLNTN-JCMHNJIXSA-N	421.500	5.256	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c2C)cc1	409233543	GGCTWLJNNREROB-QSSXUJFUSA-N	413.521	5.277	50	40	HKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1nc2ccccc2[nH]1	6161330	ITUNGMZWJMZOQL-QOCHGBHMSA-N	412.496	7.097	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)c1ccccn1	6829527	ZDYAMTPKXBASSN-UQQQWYQISA-N	418.496	6.304	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(O)c(OCC)c3)n2)cc1	6846995	RPSFLSKMICCAKW-MOSHPQCFSA-N	404.535	6.321	50	40	HKGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C(/C)c2ccc(-c3ccccc3)cc2)n[nH]1	9110004	QSROAOFKTKTALX-IMRQLAEWSA-N	424.504	5.296	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	23382607	OOWCQSMHXSFKDD-GNFOSXPUSA-N	416.908	5.703	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	59201713	WDQKLETWEQHOSS-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	100043959	OLLUAZWXLAKWNC-UHFFFAOYSA-N	414.285	5.364	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OCc1ccccc1	210410825	GZHAMRUVKOEGNK-MIDMBNTASA-N	412.489	5.059	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1F	408541391	GDOGZVMOPDJBSD-BKUYFWCQSA-N	417.436	5.566	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1nc2ccccc2[nH]1	408598535	COHKNPRMRVAOFS-GXDHUFHOSA-N	412.301	6.786	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1ccc2ccccc2c1	408754620	NZLYNLBGJMZKOG-JVWAILMASA-N	420.472	5.059	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc2ccccc2c1	408793310	OIPHEMCKFLNOPX-KOEQRZSOSA-N	418.496	6.273	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	408804451	GEDMLPCLEXKZES-SFQUDFHCSA-N	401.422	5.081	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1c(O)ccc2ccccc12	409119087	QMHGRMJCSYOTCM-AUEPDCJTSA-N	419.333	5.236	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1	2278222	JIXOSOOWNHLCOH-RBZFPXEDSA-N	411.288	5.202	50	40	HKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	4817181	WHGVWFVYHVTBRT-QJOMJCCJSA-N	407.542	7.016	50	40	HKGB	
O=C(N/N=C/c1cc(-c2ccccc2)sc1Cl)c1cc2ccccc2cc1O	20530268	PKNDAQYNXFMXDZ-ZMOGYAJESA-N	406.894	5.691	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)cc(Cl)c3)n2)cc1C	100728044	VWBJPQQMUKMCNY-GDNBJRDFSA-N	400.334	6.710	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408798038	UIBJHWBWXDMTFY-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1C	409176398	MKKOIJXDQXMCIV-RWPZCVJISA-N	413.496	5.138	50	40	HKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1cc(Cl)c(O)c(Cl)c1	1705634	OBSABKJUOFVSJG-FOKLQQMPSA-N	420.167	6.042	50	40	HKGB	
Cc1cc(Cl)ccc1N[C@@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	2099954	XKINLWQMERNBHT-JEWIKEISSA-N	415.924	5.906	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC1CCCCCC1	2768540	QSKXIDYNSQZUGN-HEHNFIMWSA-N	410.521	5.285	50	40	HKGB	
COC(=O)N/N=C/c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2ccccc12	4091886	GGWCFYXNFKXTRL-PCLIKHOPSA-N	407.514	5.016	50	40	HKGB	
CC1(C)[C@H]([C@H](Br)[C@H](Br)c2ccccc2)CC[C@]1(C)C(=O)O	4266720	IPAYRHXWIXEEOF-QDEZUTFSSA-N	418.169	5.413	50	40	HKGB	
Cc1ccccc1NCC(=O)N/N=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	4534777	JJQZCNDQYPRJDY-MYKKPKGFSA-N	402.281	5.124	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc2ccccc12	6423369	POWLZVXYBIJILJ-CJLVFECKSA-N	402.472	7.046	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	33339701	BDIZQGLXYFLCOP-QINSGFPZSA-N	412.367	5.520	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	196409184	FJWRCZGPRARUFY-RVDMUPIBSA-N	421.840	5.616	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c1C	408598598	FIDIZNZTDBNHGX-YBFXNURJSA-N	418.953	6.589	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1	408853247	QHTAKSWRFKGZHO-VULFUBBASA-N	421.928	6.000	50	40	HKGB	
Cc1cc(C)c2nc(/C(C#N)=C/c3cc4ccc(C)c(C)c4nc3Cl)nc(O)c2c1	5072306	YSRMOLYSLHILCY-VCHYOVAHSA-N	414.896	5.835	50	40	HKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9057823	UYHANDPSHCKJAI-JLHYYAGUSA-N	414.393	5.296	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1OC	13027717	PABGETRQFYJAPM-HYARGMPZSA-N	424.525	6.558	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N/c2ccc(/C=C/c3ccncc3)cc2)cc1	38142098	XJGVHMQZSFVITC-CJVDMDSZSA-N	424.375	6.287	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	58917504	UQFUJNCIIYRGCN-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c2ccccc12	408807205	KPPGGIHWXCLQSX-CPNJWEJPSA-N	418.924	6.382	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1Cl	409012633	KUWNKKGTKMABAG-GTPWMTBTSA-N	423.944	5.689	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc2ncccc2c1	409229481	PQQVAVGEUNEYGN-YPFLROGLSA-N	420.516	5.427	50	40	HKGB	
O=C(c1cc(Cl)ccc1O)[C@@H](Br)[C@H](Br)c1ccccc1	1682537	XFSWZAIWCDGXRX-KGLIPLIRSA-N	418.512	5.128	50	40	HKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(F)cc1	4086265	MAIVOMOTKUFGSA-XMHGGMMESA-N	406.464	6.078	50	40	HKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2C1	4923390	UBLIGZXKOZDGGZ-NRFANRHFSA-N	417.578	5.592	50	40	HKGB	
CCCCCCOc1ccccc1/C=N\NC(=O)c1cccc(Br)c1	12419795	ZBHVZKXYFVFOMB-JCMHNJIXSA-N	403.320	5.172	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	59272206	SJBRZAHOOQGWGP-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	59410814	YOCBGZVMUBNBSC-MTDXEUNCSA-N	424.500	5.120	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@H]2CC/C=C\CC/C=C/CC[C@@H]12	100057256	CXSVWIBMCMBREG-BRDXQBBCSA-N	401.348	5.228	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1cccc(C)c1	408542959	LWNUCBCSEOBNHK-XKZIYDEJSA-N	423.516	6.140	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc(F)c1	408548562	ITDHZMPYHZOYIE-CFRMEGHHSA-N	409.460	6.631	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1	408905415	YKYHHIJROJELCO-CFRMEGHHSA-N	417.421	5.045	50	40	HKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)c1nc2ccccc2s1	408922054	CYFSCXAUGRDRKG-GHRIWEEISA-N	416.889	6.233	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)o2)n1	408991476	OJDLIODFRONPJM-SFQUDFHCSA-N	400.463	5.040	50	40	HKGB	
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)C[C@H](Cl)c3ccccc3)c2)cc1	977260	FAYZRUOGKKDHLY-NRFANRHFSA-N	413.926	5.001	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(F)cc1	4494376	IXUVXBDZMZQNJK-CPNJWEJPSA-N	413.452	5.744	50	40	HKGB	
COc1ccc(/C=C/C(C)=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1	5222498	SLJFYJGSKUKLHW-BIBMBDQISA-N	400.478	5.093	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1	6674840	AAMXBBATSMPYGG-ZVHZXABRSA-N	402.454	5.144	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	20197405	NAMSWEWYABWRIE-ZMOGYAJESA-N	417.292	5.806	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cc(Cl)c1O	22608580	JVZYTGFTLJIZQT-ONNFQVAWSA-N	410.804	5.747	50	40	HKGB	
CC[C@H](C)n1cc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc21	35108803	BDPIJNIPVRQQJM-XMTZNVEYSA-N	420.494	5.499	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2cccc(C)c2)cc1	408581464	XBPPWUSVYAZRAX-FYJGNVAPSA-N	416.908	6.039	50	40	HKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)c2ccc(Cl)c(Cl)c2)c2ccccc21	408585622	GNFUGBUHORPWRR-MHWRWJLKSA-N	413.304	5.884	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c(C)c1	408789569	KEKUWOPXNHJEQG-FOWTUZBSSA-N	408.910	6.247	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCCc1ccccc1	4342269	GVKCGGHNTLTLJX-HMMYKYKNSA-N	412.514	5.991	50	40	HKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)cc1	4817221	OGLVIVMSQWHJIC-OBGWFSINSA-N	405.523	5.974	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1	6155527	XYLCCPPLVZDKDJ-MOSHPQCFSA-N	417.436	5.566	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1	9201299	OQJCVNRDUINEKB-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	17270523	PXTXYOLPGIFFJX-NBVRZTHBSA-N	421.497	5.883	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C)c1	59201855	FVYGCHNNXCEUEJ-XDHOZWIPSA-N	404.554	6.150	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)cc1	59432639	XYYMIRBHOHRJIP-XSFVSMFZSA-N	414.461	5.286	50	40	HKGB	
c1ccc(N=P(c2ccccc2)(c2ccccc2)c2cnn(-c3ccccc3)c2)cc1	102160328	AIEYOVQECFLWJZ-UHFFFAOYSA-N	419.468	5.682	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)cc1)c1ccc2ccccc2c1	408551134	LGMJDKPEFVPTJL-JLPGSUDCSA-N	404.469	5.921	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(F)cc1	408889592	FUEJAKFDGYJVSM-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
Cc1ccccc1OCc1nc(-c2ccc(N(CCCl)CCCl)cc2)cs1	1707138	YENICXJQBZCAHR-UHFFFAOYSA-N	421.393	5.982	50	40	HKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)s2)cc1	2097198	MXGHFBXAKFEZBH-FSJBWODESA-N	406.979	5.644	50	40	HKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2669650	FBKITNQGSMXTLQ-GHRIWEEISA-N	420.336	7.064	50	40	HKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1	4364656	GODUFWJMGWOKRA-XYGWBWBKSA-N	417.559	5.596	50	40	HKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)c1	51093200	QAUZVGJBAZMXGI-NDENLUEZSA-N	410.477	5.130	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)[C@@H](C)CC(C)(C)N2C	208211490	NWHBHMFJSWSMEW-DSKMXOTJSA-N	418.368	5.788	50	40	HKGB	
O=C(CCl)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1	226327914	SYEWGQPTVJJKIQ-UHFFFAOYSA-N	400.059	5.088	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	408538077	IUNNVYCZLSTXKO-CAPFRKAQSA-N	410.945	6.625	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1OC	408582500	OLEJZRRHPAYUQQ-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
COc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	408588419	WEDFCMMOKFBAGP-JYRVWZFOSA-N	415.232	6.234	50	40	HKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccc(Cl)c1	408599008	NNUGOENEMYISES-ZDLGFXPLSA-N	414.719	7.290	50	40	HKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1	408808669	QRKRLVDWHSSVRN-XDHOZWIPSA-N	418.880	5.479	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1cc(C)cc(C)c1	408874424	BHWJTIRYAYCZLY-MFKUBSTISA-N	424.544	6.147	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(=O)O)c3C)o2)cc1Cl	408986082	ZKTLMDGNALJGEI-GDNBJRDFSA-N	420.852	5.461	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc(F)c1)C(=O)NCCCc1ccccc1	409244665	GZOYEHIAATYJAP-QJOMJCCJSA-N	414.480	5.061	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2ccccc2)o1	6230013	ZPKLQCHWBGZBDN-BUVRLJJBSA-N	402.475	5.357	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3C)c2C)cc1Br	9201327	UIFQXSDNEQAPRM-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
Cc1cccc(C)c1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	44827279	NTCPUPAVMZFPOW-GXDHUFHOSA-N	400.334	6.710	50	40	HKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](N=C=S)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	118912395	OTQCKYVOOJVJQT-HIOAPMMISA-N	415.599	5.167	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3F)nn2-c2ccc(C)cc2)cc1	408723903	ADAYXRLSERSYTP-JVWAILMASA-N	412.468	5.059	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccccc1F	408809322	KZHMRQZPOWAOAS-QGOAFFKASA-N	413.427	5.513	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1cccc(Cl)c1	408941445	WOZGEWKOCDMYNG-ZDLGFXPLSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1	408991006	PHZFYCUSWMHYBB-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3nc(Cl)ncc3F)cc2)c(C)c1	3771773	ABLLOCKQISJZTJ-MHWRWJLKSA-N	422.847	5.224	50	40	HKGB	
O=C(N/N=C\c1c(Cl)cccc1Cl)c1n[nH]c2c1CCCCCCCCCC2	5642260	AWYUDVDSNRIXJS-OYKKKHCWSA-N	421.372	5.700	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	6355082	ILLZUZUVBJLQLI-HMAPJEAMSA-N	414.461	5.945	50	40	HKGB	
C[C@@H]1C/C(=N\NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC(C)(C)C1	13147073	UCSKEKJYZDOXDJ-DVCOJHHCSA-N	420.582	5.787	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1C#N	33660454	FJABDANNJUPGMA-NHDPSOOVSA-N	411.417	5.118	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccccc1F	39884531	ZGKWFAKNNWJXBM-SDNWHVSQSA-N	400.331	5.650	50	40	HKGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)cc2c1	408728529	OFXHTGAEBUDKEM-HJQVIKLGSA-N	418.349	5.481	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1ccc(F)cc1	408799238	GXAPPJWVMPKBQE-FJFJUCHQSA-N	422.500	5.015	50	40	HKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccccc1F	1453708	STPRGQAFIYPCOH-SFQUDFHCSA-N	420.465	5.277	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	1574579	BXYCIYKODOSCPC-HZHRSRAPSA-N	413.473	5.315	50	40	HKGB	
O=C(N/N=C/C=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	2020912	AIASPSXLEPXYGP-RLPDPWMMSA-N	403.869	5.021	50	40	HKGB	
CCC1CCC(=NNC(=O)c2ccc(CSc3cccc4cccnc34)cc2)CC1	5414871	WVXUKIPBCFGLIL-UHFFFAOYSA-N	417.578	6.213	50	40	HKGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c1	12859483	ZRLJGIOZZYWMFT-VULFUBBASA-N	422.912	5.065	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc([N+](=O)[O-])c1O	36056545	CJCHRIVQWOTBEO-VIZOYTHASA-N	407.451	5.114	50	40	HKGB	
CC(C)[Si](OCC/C=C/[C@@H]1CCC(=O)[C@@H]1[C@@H](O)C1CCCCC1)(C(C)C)C(C)C	195480449	AIFDEPAJGQREQC-YDAJVFKBSA-N	422.726	6.661	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408581029	SSPMGZOFQFSRCT-RIYZIHGNSA-N	410.728	6.898	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1cccc(Cl)c1	408789962	OYITZPADCNVUFR-RAXLEYEMSA-N	420.881	5.506	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1	408808316	DYGGAKBAJBOVDH-JWGURIENSA-N	415.512	6.122	50	40	HKGB	
COc1cc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3)cs2)c(OC)cc1Cl	4815183	BHZCXAXHHBSQDE-PTNGSMBKSA-N	411.914	5.766	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	9428230	OXFAVMFZEYKXNQ-RAXLEYEMSA-N	423.856	5.686	50	40	HKGB	
Cc1cccc(C)c1NC(=O)[C@@H](C)SS[C@H](C)C(=O)Nc1c(C)cccc1C	58005395	JFYZNBLYDQAWLX-QZTJIDSGSA-N	416.612	5.656	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)NC1CCCCC1	59224643	IOENXVSXBGDSPU-LGMDPLHJSA-N	412.892	5.414	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	213083341	CMWWRXYNBQOCND-UVTDQMKNSA-N	407.813	5.362	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1	408583637	VYIFZIOKSKEUFF-XSFVSMFZSA-N	420.306	6.101	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br	408795658	MCMJJFFXWVKXFK-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408867647	LBKWRQBQVWVZEW-HYARGMPZSA-N	400.909	6.093	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)o1	409084024	OYKPZRMSQFANQN-OWBHPGMISA-N	410.882	5.638	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	409146590	UTHONMYCERDENO-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc2c(c1)OCO2	409361280	GUOAZJFMDKZHDJ-NVMNQCDNSA-N	424.283	6.365	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccccc1	6410540	QWHAUNHXCPCYQJ-SWEABUAFSA-N	411.288	6.038	50	40	HKGB	
CCCCCCCCC(=O)N/N=C/c1ccccc1OCc1ccc(C(=O)OC)cc1	8399475	JKVSZQMERCPGLA-NLRVBDNBSA-N	424.541	5.253	50	40	HKGB	
N#C/C(=C\c1c[nH]nc1-c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	9335194	YDOXBQXVDGRCSF-MDWZMJQESA-N	416.790	5.295	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl	28515388	OKDCIHIOTVFABV-LFIBNONCSA-N	422.824	5.749	50	40	HKGB	
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCCl	100921105	URBMXOPNDBJLGJ-UHFFFAOYSA-N	407.035	6.283	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1cccc(Cl)c1	408734668	IIFVSQRZTAFIIP-UDWIEESQSA-N	413.864	5.336	50	40	HKGB	
COc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1	408735471	SKFBRVMKACLXPV-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1	408745470	SPERTHDACRNLTM-JWGURIENSA-N	405.501	5.852	50	40	HKGB	
COc1ccc(CCCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c(C)c1	408907923	QIFYHWIEBGQLGU-MTDXEUNCSA-N	410.517	5.783	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)COc2ccc(Cl)cc2)cc(C(C)(C)C)c1O	3085456	JGCUREHLMPXKBR-DHRITJCHSA-N	416.949	5.170	50	40	HKGB	
O=C(CCCCl)Oc1ccc2ccccc2c1Sc1ccccc1[N+](=O)[O-]	3191475	WUOPSJRDUHSWDR-UHFFFAOYSA-N	401.871	5.824	50	40	HKGB	
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	58886766	RHBUTFFITXGUAZ-BBMHEYIBSA-N	417.292	5.217	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1C	59432655	VGJWBEYPRSQXFJ-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1cccc2ccccc12	408592404	XZZHGDSYBOUUIF-JVWAILMASA-N	415.924	5.594	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2cccc(F)c2)c1	408879677	DNHXJJCECQHNAY-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1ccc(I)cc1	409372566	MPDWTSKNCKILAM-GHXNOFRVSA-N	400.046	5.662	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	27461343	AWGFBOMWGBKOJZ-IVTMJHQESA-N	414.549	5.790	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	34173288	YLMOGCNVTMEHRU-ZNCJEFCDSA-N	421.109	7.894	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1Cl	38202827	RGRCOADXUVVHAL-ZRDIBKRKSA-N	417.679	6.452	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)Cc2cccc3ccccc23)c1C	59105045	VWANLWWPTLYRAN-RDRPBHBLSA-N	423.560	5.811	50	40	HKGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3cc4ccccc4o3)cc2[C@@H](C)CC1(C)C	223583932	JRGLAWZSVNTZSP-QVMKDISWSA-N	403.526	5.617	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccc3ccccc3c2)c2ccccc2n1Cc1ccccc1F	408549584	VEYFZHRPGVIGIB-UQQQWYQISA-N	416.499	7.355	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(O)cc1	408880765	ISLVQQSRJZOZRJ-GZTJUZNOSA-N	422.843	5.309	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1	408893525	GRFCUNOHCZRRAC-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)NCCCc2ccccc2)o1	409243755	YCMNLEJVVVPQQY-RGEXLXHISA-N	404.897	5.564	50	40	HKGB	
Cc1c([C@@H]2[C@@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1Cc1ccccc1	2447753	OVTNPQZDYPTFLH-YKSBVNFPSA-N	408.973	5.483	50	40	HKGB	
O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H](Br)c1ccccc1	3135246	XGLQPIGNKJEZEV-IBGZPJMESA-N	416.702	6.207	50	40	HKGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	4922468	IOHGUMYFRIPUJZ-KRWDZBQOSA-N	409.942	5.176	50	40	HKGB	
COc1ccc([C@]23C[C@H](c4ccccc4)Sc4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452015	WYALWLRESQFCSG-GPXNEJASSA-N	421.949	5.782	50	40	HKGB	
O=C(N/N=C1/C[C@@H](c2ccccc2)Oc2ccccc21)c1ccccc1Br	35375945	BHAGBUAUILVQLD-GHIWRQRASA-N	421.294	5.107	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1	35396300	UYYPAGHPSVOBDX-RGEXLXHISA-N	403.959	7.770	50	40	HKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	100860120	DKIWVDYBXGTMTL-GXDHUFHOSA-N	414.317	6.296	50	40	HKGB	
N#C/C(=C/NC(=S)Nc1cc(Cl)ccc1Cl)c1nc2ccccc2s1	104305132	GAJZVLGNAVFYIS-KTKRTIGZSA-N	405.335	5.454	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2[C@@H](C)CC1(C)C	223580994	OZMCRGFBZFBBIV-IAFWPLRWSA-N	401.554	5.961	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408580448	PQHOJDPJXYLJMJ-MHWRWJLKSA-N	420.734	6.354	50	40	HKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(Cl)cc1Cl	408691548	DLWKMPLWBTZTTH-YVLHZVERSA-N	421.331	6.358	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408805025	CKDPFDXATYUIDM-GXDHUFHOSA-N	417.690	5.213	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1cc(C)cc(C)c1	408870568	WBKHBXDHTAQXLC-AFUMVMLFSA-N	424.544	6.065	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	408961214	BIYPZDHPHGANBV-MZJWZYIUSA-N	412.411	5.357	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)c(C)c1	5445920	BEAXOHPFYAFNNY-ZTKZIYFRSA-N	423.516	5.585	50	40	HKGB	
O=C(N/N=C/c1cccc(Cl)c1)c1ccc(NC(=O)c2ccccc2Cl)cc1	5945865	KTYHRFCZIFDDGE-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc2ccccc12	6496655	GIDADJITENPHSM-XHPQRKPJSA-N	411.504	7.636	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)cc1	16194220	IJVLUAOBCUBJJF-ATVHPVEESA-N	408.251	5.560	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc(C)cc3Cl)cc21	223479353	XAABOUBGPZVFJN-VULFUBBASA-N	409.961	5.823	50	40	HKGB	
CCN1c2ccc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc2[C@@H](C)CC1(C)C	223537779	PCYPFMKGUZCQQU-PFHZTYADSA-N	423.564	5.807	50	40	HKGB	
CC(C)C[C@@H]1C(C#N)=C(SCC(=O)c2ccc3ccccc3c2)N[C@H]2CCCC[C@H]21	223886631	DGDGRJOBRCHBBS-FIXSFTCYSA-N	418.606	6.315	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc2ccccc2c1	408548664	KTKGREGLIOQUAU-JLPGSUDCSA-N	418.927	7.560	50	40	HKGB	
Cc1ccc(-n2cccc2/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	408554736	UPVVZOBXOKAVGD-GHRIWEEISA-N	412.518	5.143	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2)cc1	408580736	DNHYWHIOYVIOLK-DEDYPNTBSA-N	420.306	6.101	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)cc(C(C)(C)C)c1O	408675761	AFASNZGENIQNIN-WPWMEQJKSA-N	421.585	5.351	50	40	HKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)C(=O)NC(C)C)cc2Cl)c1	408789035	IKZQHWBOPGWVKW-IUXPMGMMSA-N	403.309	5.312	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCC(C)C)c2ccccc12	408801446	ASZFZBDGEMVLCC-XSFVSMFZSA-N	414.505	5.737	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408874826	DGZNVILJLZZXKJ-FVIKRSMRSA-N	419.956	5.619	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1C	408964085	BODSNVWFGTULNQ-DICXZTSXSA-N	411.509	5.415	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccc(F)cc2)c1)c1cccc(C(F)(F)F)c1	408966812	NOQPMCXCGYLAIU-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1ccccc1Cl	409018837	WSXVXFAMQOMDBG-NHDPSOOVSA-N	422.362	6.362	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C	409376551	ZFVPRWJXDHGYTK-WQRHYEAKSA-N	405.885	5.307	50	40	HKGB	
Cc1cc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cs1	2743938	SDHRYSPTSFZCRX-WYMPLXKRSA-N	420.925	5.327	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(C)cc1	5125738	AUEJAEBRBLEUBE-FYJGNVAPSA-N	409.489	5.832	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br	7894027	FNQOQIAHIMIJRC-OEAKJJBVSA-N	411.299	5.155	50	40	HKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1	8387230	AJYNSZRRWPGPRC-PXNMLYILSA-N	415.430	5.197	50	40	HKGB	
Cc1cccc2sc(NNC(=O)c3cc(-c4cccs4)nc4ccccc34)nc12	8860113	BRKQRBLCDHWCTI-UHFFFAOYSA-N	416.531	5.638	50	40	HKGB	aggregator
CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	17113491	PIVHRPVMWFQGOD-SFQUDFHCSA-N	423.925	6.005	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br	408803920	UTTNSGQTDOPXPO-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1C	408870072	VGJBLTRKISOXQC-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)cc1	408961524	CQVMVOLYNZODAY-RPPGKUMJSA-N	403.379	5.016	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408965103	GODAHLISHMQQKX-STZFKDTASA-N	422.488	5.197	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c(C)c1	408989610	UIGUFBSJKDIAJN-MTJSOVHGSA-N	417.940	6.218	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1	409234852	NHZLAWXUBRAJDK-SDLDRHLBSA-N	421.903	5.671	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@@H]1c1c(F)cccc1Cl	985622	JHQGFEATSUNSJL-SFHVURJKSA-N	416.843	5.241	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccn2-c2ccc(Br)cc2)c(C)c1	1185046	ABUTXFQTSFBZJQ-GHRIWEEISA-N	420.310	5.402	50	40	HKGB	
CCOc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(C)C	1462336	SXPCOGCIWALXBR-XMMPIXPASA-N	414.505	5.491	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1Cl	3024998	NVBHXYGICFLFMO-WYMPLXKRSA-N	417.292	5.074	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1	5872550	ZFWXPFJZTVVUHS-KGENOOAVSA-N	417.892	6.108	50	40	HKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1	6503856	QLQKWNRTFXWFJJ-CPNJWEJPSA-N	401.922	6.902	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	10475926	RIUZLSAVUOHFHB-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OC)cc2)cc1	12564856	JBNLLEISOAYPQS-HIPUGCMCSA-N	424.928	5.066	50	40	HKGB	
C=CCOC(=O)C1=C(C)NC(SCCCC)=C(C#N)[C@H]1c1ccccc1Cl	20189144	HFFDAVZWONSROH-LJQANCHMSA-N	402.947	5.298	50	40	HKGB	
N#C/C(=C/c1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1	34690119	UEKOPYIRUDTYBO-LGMDPLHJSA-N	419.278	5.787	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(OCc2ccccc2)c1	408802623	ZOCKDWYQJGIFST-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1	408983648	GXJMXKYWUCRFKY-MTJSOVHGSA-N	417.940	6.218	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2ccc(Cl)cc2)cc1Br	409354473	FZIGRBWSHVZWHL-MLPAPPSSSA-N	411.524	6.238	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(OCc2ccccc2)cc1	409391598	IXHNIHZGSQRLCT-XYGWBWBKSA-N	422.503	6.876	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(F)cc1	1439503	PPZXCXJEDVSKHU-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C/C=C(\C)CCC=C(C)C)cc2)cc1	3307962	DIGPLELITBNQCQ-BZEKNMDBSA-N	420.553	6.073	50	40	HKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1cccc(Br)c1	5531402	OFMXVSRDTCJHJC-ZICWZVMQSA-N	411.752	5.124	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	44827452	CSWVMAQLDJPOCM-JLHYYAGUSA-N	423.856	5.686	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208457630	IEWIORCMSQQITO-JFLMPSFJSA-N	413.521	5.249	50	40	HKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)[C@H](c1ccccc1)C1CCCCC1	408723713	CJVSNBBMKDRJKY-DPZDUBCVSA-N	420.597	6.460	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(OCc2ccccc2)c1	408808138	FENQUZUGZVSLAQ-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccc(F)cc1	408885938	HBPLFKPFYHRZBN-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1OC	949398	KACDBMCPOQTSCA-OQLLNIDSSA-N	410.813	5.590	50	40	HKGB	
C[C@@H](CP(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1	2569769	WGOBPPNNYVSJTE-QHCPKHFHSA-N	412.453	5.641	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C\c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1	34704757	INCVKKDCBFMWPJ-DHDCSXOGSA-N	414.317	6.139	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br	108170505	YBDMBNBOSAWWGY-NVNXTCNLSA-N	417.259	5.219	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)C(=O)NC1CCCC1	409189416	KUHVFRUADDSQSG-JWGURIENSA-N	419.528	5.809	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	409361407	HDMIHDCMCOZAJI-JFLMPSFJSA-N	415.924	5.344	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc([N+](=O)[O-])ccc3F)n2)cc1	971801	PFOSCDXCIAAIPO-SDNWHVSQSA-N	410.430	5.233	50	40	HKGB	
N#C/C(=C(/Nc1ccccc1)SCc1ccc(F)cc1)S(=O)(=O)c1ccccc1	2689408	UKFHFMWYFMYUEA-QURGRASLSA-N	424.522	5.338	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1	5740296	WFQWPRNTQUDHKA-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	20247414	WKUHTWZOGTWOEC-CVKSISIWSA-N	400.547	5.763	50	40	HKGB	
C/C(=N\NC(=O)[C@@H](C)Sc1ccc(Cl)cc1)c1ccc(Br)cc1	59474279	MOHFJQYTJBQQEU-ZICWZVMQSA-N	411.752	5.124	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c2c(c1)C[C@@H](C)O2	98055604	CCPKSJDBDRUYHP-LHDJSAJTSA-N	408.807	5.540	50	40	HKGB	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCCC3)c2C)ccc1Cl	98086337	XCWFXEYOYBDJBZ-XSFVSMFZSA-N	409.961	5.802	50	40	HKGB	
CCCCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	100860049	CHPHJWXEEJAXAB-CYVLTUHYSA-N	419.550	6.146	50	40	HKGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](Br)C2=O	102872461	CAZOMVNBOBEWSG-ZLIFDBKOSA-N	419.146	5.091	50	40	HKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1)N2	227101531	SJSDAHHZYJBBPN-OMHJMKIGSA-N	408.505	5.062	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1cccc(F)c1	409069628	MASNLXHNFUATTQ-BUVRLJJBSA-N	413.492	6.596	50	40	HKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl	409209239	ICYWLLKAZUKOKV-FSJBWODESA-N	418.349	5.335	50	40	HKGB	
Cc1ccc(-c2nc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)sc2C)cc1	948309	QKKLAFJBVLNDGK-FYJGNVAPSA-N	401.535	6.096	50	40	HKGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(C)c(C)c3)cs1)OCO2	1244104	ZSKHRFDQLSRITH-LICLKQGHSA-N	417.490	5.335	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Br)o2)cc1Cl	2055711	YERZJEYFJFZYNS-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1	3232145	MYXNILDFFUROER-HYARGMPZSA-N	414.480	5.876	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1cccc(C)c1	15226199	NUYRXGUNYUECKK-ADQWAQBBSA-N	418.537	5.185	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)s1	17083284	HFIRHZLKFMRZRD-AFUMVMLFSA-N	405.910	5.771	50	40	HKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@@H](Br)[C@H]1Br)S2	101463579	WLRYZLICTXBSLV-KKQCNMDGSA-N	422.279	5.405	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1	216039741	FQFVSAKIDQZZMT-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](C(C)=O)[C@H](N=C=S)C[C@H]32)C1	253616842	OTQCKYVOOJVJQT-GTYJCMKRSA-N	415.599	5.167	50	40	HKGB	
Cc1ccc2cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c(Cl)nc2c1	408727680	GCXKUIMBYUPVBR-HJQVIKLGSA-N	418.349	5.481	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)c1	408745264	KYCKKRXBVZPRFN-BOPFTXTBSA-N	417.421	5.108	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1C	408812075	LDSWNUVEMAOEKW-PXLXIMEGSA-N	417.940	5.322	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(Cl)c1	4749507	AJGPTFJYDYWYSR-JFLMPSFJSA-N	415.924	5.724	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	38200289	FBFLSYZNLWJWFX-XSFVSMFZSA-N	409.514	5.711	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc2c1	51075692	XVSNRWHGSMSCIV-LCYFTJDESA-N	404.813	5.757	50	40	HKGB	
CC(C)(Cl)[C@@H](Cl)CC/C(CBr)=C(\Cl)CBr	73242990	NWPBPKLFGPSJGT-FLOXNTQESA-N	401.397	5.674	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)OC(=O)C[C@]4(C)[C@@H]3CC[C@]12C	104131323	WRMXUZMRKCNROQ-WRUPXOJVSA-N	416.646	6.787	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1C	408544239	UKJZFNWDGNZXDE-NTEUORMPSA-N	408.288	6.811	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)cc1Cl	408599194	PTDDONKJVFKRKJ-JFLMPSFJSA-N	415.924	5.973	50	40	HKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	408735928	ZKYKFKAOZVWWCH-UKTHLTGXSA-N	423.812	5.062	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCCc1ccccc1	408796480	AIXLHPXAEOMPQV-CJLVFECKSA-N	423.491	5.095	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	408796919	PSXINFWYFLFNHE-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	408808536	JGWHJJNACDYOBH-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)c1C	409042689	OCZJCLOQYLRLGJ-CAOOACKPSA-N	417.336	6.191	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(OCc2cccc3ccccc23)cc1	800390	KOLHRAUEGNPMEU-VWLOTQADSA-N	422.484	5.234	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	4738882	LCRVRMMZXRGTSK-CFRMEGHHSA-N	400.309	5.094	50	40	HKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc3c(c2)Nc2ccccc2S3)cc1OC	6312363	CJPRNKYZSKNHBP-AFUMVMLFSA-N	419.506	5.066	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccccc3Sc3ccc(Cl)cc3)[nH]c2c1	6382669	MOGWNDWEYOTILC-GHRIWEEISA-N	401.922	6.740	50	40	HKGB	
C/C(=N\NC(=O)CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1	19861248	WJMYFBGJZQPMTE-PCLIKHOPSA-N	401.491	5.127	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	55051890	NNUNXOPWXYSWQF-YBEGLDIGSA-N	411.332	6.519	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)c1nc2ccccc2[nH]1	113834662	LYHLLTDPSHPGCG-PXLXIMEGSA-N	401.469	6.359	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@H]4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	123318469	SYWKKZVGVXDAHI-IPSCSQKRSA-N	421.109	7.894	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc21	208475456	DXLNNBJRGYDVDS-ZDLGFXPLSA-N	405.929	5.826	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	408583491	UZWKYXZAGZVQMX-CPNJWEJPSA-N	418.880	5.430	50	40	HKGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)c1	408599381	TZJIISUNXPBUFV-QGOAFFKASA-N	415.474	5.656	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408799047	XZUBESXUQRYUCY-VGOFMYFVSA-N	421.711	6.066	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1cccc(F)c1	408869470	PPRZYEIUQMRHJE-XDHOZWIPSA-N	404.416	5.110	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)c1	408871440	GMDJLTVMEVYJDV-YDZHTSKRSA-N	414.936	6.402	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1Cl	408871957	IIBOOCIYSTUOOX-XMHGGMMESA-N	407.300	6.130	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(OC)c2)cc1	408876545	LZXQJKQQBHJULX-HYARGMPZSA-N	414.480	5.533	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	409111865	DKSRYXQRWWGWDU-YYHBXHNPSA-N	419.594	5.650	50	40	HKGB	
O=C(COc1cccc(Cl)c1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409187371	PPEHCZHHZGZNRQ-JJFYIABZSA-N	421.305	5.267	50	40	HKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccoc3)c3ccccc3n2)c1	2109750	JKTRMGHQKPJTIN-WGOQTCKBSA-N	413.477	5.438	50	40	HKGB	
COc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2C1	4923376	GHUDXCAQHIYQLD-LJQANCHMSA-N	419.550	5.038	50	40	HKGB	
O=C(CCn1c2c(c3ccccc31)CCCC2)NN=C1c2ccccc2-c2ccccc21	28297150	VGEURQLRARMRAZ-UHFFFAOYSA-N	419.528	5.459	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1C	223169374	KPGLSDCPKASJOO-HMAPJEAMSA-N	417.940	5.322	50	40	HKGB	
CO[C@@H](C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	408859294	SBZGYAQJCMAERG-AOOMUMSASA-N	403.265	5.091	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1ccccc1F	408871297	YINNHVSYRGEUPM-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc2ccccc12	408889576	FMGIEOSUMCODCL-OGLMXYFKSA-N	403.485	5.607	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)COc2ccccc2Cl)cc(C(C)(C)C)c1O	408911575	KEGWXTXOSCVSFA-DHRITJCHSA-N	416.949	5.170	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2cn(Cc3ccccc3Cl)c3ccccc23)c1	408970109	ATVPSLDQLDCCBV-WGARJPEWSA-N	401.897	5.415	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nn3c(C)ccc3C)c3ccccc32)cc1	409388888	XLOXUIOWYGUTQY-HYARGMPZSA-N	408.505	5.094	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)cc1	4498251	ILELBMTXGRMAHK-HKWRFOASSA-N	415.493	5.047	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1cccc(C(=O)O)c1	15229391	XTMVEWKIUBKTDB-JMIUGGIZSA-N	419.864	5.690	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1cccc(Cl)c1	33788005	XVCFVJCIZQZUHL-YBFXNURJSA-N	421.978	7.014	50	40	HKGB	
O=C(Cl)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1	45919911	OQMWITIHLZILDU-UHFFFAOYSA-N	405.462	5.943	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c3ccccc32)c1	59201239	ICRYSOPGBSODLG-HZHRSRAPSA-N	419.528	6.161	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1O	59224664	UGKGZBCTYOBKTK-MHWRWJLKSA-N	421.497	5.441	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	59336232	KSSUNFCJGIIMDB-UVTDQMKNSA-N	403.265	5.112	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(Cl)cc3)nn2-c2ccccc2)cc1	408724452	KOEMSVYVHBBGFE-WGOQTCKBSA-N	414.896	5.265	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)cc(C)c1OCc1ccc(F)cc1	408851207	ACZSLZSXTVQFFS-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2)c1	408962378	HWNNABVNKJQYQW-MZJWZYIUSA-N	412.411	5.357	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(C#N)cc1	409368554	BPQXDBHBXYFGQC-JMIUGGIZSA-N	405.284	6.508	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	753715	FAVLYNRJTXOMBZ-QGOAFFKASA-N	405.885	5.302	50	40	HKGB	
O=C(c1ccccc1)[C@@H](Br)[C@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	1718368	KPIWQKFMJGVSBC-ACRUOGEOSA-N	424.294	5.435	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1O	7099070	TXIIDRBSCXTAFI-LQKURTRISA-N	419.484	5.312	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)cc2)cc1	59245251	HRKFFEVXXQLGQI-JJIBRWJFSA-N	418.496	6.273	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1ccc(Cl)cc1Cl	59445179	GPVBWYGSVLHISY-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[C@H](C)CC1(C)C	208315007	FRMSWWNRPLPZQB-CJMVGXJBSA-N	407.945	5.998	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	209377697	JTNNWKOBRAMSOJ-QINSGFPZSA-N	412.367	5.520	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	213131305	LGUHXJJVSXUXKP-QINSGFPZSA-N	411.288	6.091	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2[C@@H](C)CC1(C)C	223535509	VREGLMFNVXGWEE-JIHKLPAASA-N	407.945	5.998	50	40	HKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1	226341284	YGFUACYJKJDWTM-AATRIKPKSA-N	420.517	6.114	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)C(c3ccccc3)c3ccccc3)c2C)cc1	408896300	XOJCFBCADYIIMJ-CEUNXORHSA-N	421.544	5.685	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)COc3ccccc3Cl)cc2)cc1	409239480	NBKKHLKLKLSTMS-OYKKKHCWSA-N	410.926	5.329	50	40	HKGB	
CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)[C@H]2c1ccc(Cl)cc1	715084	GFXFEIYYHVYRPJ-JOCHJYFZSA-N	417.940	5.276	50	40	HKGB	
CSc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(CC(C)C)cc4)c32)cc1	985835	CGAJLHZLIDUMLC-HXUWFJFHSA-N	416.550	5.215	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1OC	2670459	VZLGZMDKNYXDHT-HMMYKYKNSA-N	400.478	5.573	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408746818	WCFBXOGRKIEVAZ-AQTBWJFISA-N	423.299	6.118	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408878799	BKWCDNKRYWGNEN-GHRIWEEISA-N	422.406	5.969	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	409078788	DBSGEUZXJZDRPT-MHWRWJLKSA-N	421.796	6.013	50	40	HKGB	
CCc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc2c1	650442	KLUOOFIKVUDJCL-JOCHJYFZSA-N	411.892	5.822	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)C(c1ccccc1)c1ccccc1	4356970	CDOBFNNFOILGKR-WPWMEQJKSA-N	414.892	5.882	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2Br)cc1	4700777	AFDGOXJPOROJFS-NTCAYCPXSA-N	412.283	5.190	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccccc1	4815562	UGFYYIQJMZVPDU-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@H]1CCc1ccccc1	5409271	YGVYKRXJHQMIQU-QFIPXVFZSA-N	418.500	5.546	50	40	HKGB	
CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	9445088	OABGGEYAKLLDSB-UVTDQMKNSA-N	414.317	6.296	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1	9763175	SZFYXONIZWCUNI-DHDCSXOGSA-N	420.690	5.152	50	40	HKGB	
N#CC(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)/C(O)=N/c1nc2ccccc2s1	41078072	VQJCOTDQUHJIPT-UKTHLTGXSA-N	423.856	6.544	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1	103029530	WOIVOOJTLRPQSX-HSZRJFAPSA-N	408.611	7.393	50	40	HKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)O[C@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	263584180	LRWHHSXTGZSMSN-JLSZRACTSA-N	411.754	5.224	50	40	HKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1	408781456	SMMMTIGBDIXEIG-WPWMEQJKSA-N	410.521	5.266	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408805355	AKJSAAUXKTXZPW-LELVYMQHSA-N	408.929	5.521	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)[C@@H](O)c1ccccc1	1249489	NRCCFYYSNQDBIS-TXRNYMQSSA-N	423.683	5.091	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)[C@@H](Br)C2=O	16712940	AHSLWDCWEZENFO-VUCTXSBTSA-N	419.146	5.091	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3cccs3)o2)cc1	35225363	SOIZAODROOHIST-OYKKKHCWSA-N	419.506	5.092	50	40	HKGB	
S=c1sc2c(s1)S[C@@H]1[C@H](C[C@H](Br)[C@@H]1Br)S2	227219274	WLRYZLICTXBSLV-NEEWWZBLSA-N	422.279	5.405	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H](N=C=S)[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1	253616843	OTQCKYVOOJVJQT-JELZRBBFSA-N	415.599	5.167	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1nc2ccc(F)cc2[nH]1	408568773	KVRQBJPGYXPHES-XFFZJAGNSA-N	408.776	5.588	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)c2C)cc1Cl	408587123	QLMDGZFWSOHNGY-NVMNQCDNSA-N	415.751	7.427	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)Cn1cnc2ccccc21	408691953	ZUGQWYVKXNZMAT-ZROIWOOFSA-N	404.813	5.465	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1cccc(Cl)c1	408789124	OCNUQAMBJNTEQI-UDWIEESQSA-N	413.864	5.336	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Cc2ccccc2F)c1	408880652	GNIMIMFIXSVUGU-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	1554059	WLKQFPRHMYPDJA-ZMOGYAJESA-N	418.840	5.160	50	40	HKGB	
CCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	2669660	SMBPOKMAZKQLPW-OBGWFSINSA-N	419.443	6.776	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	4738952	DNNCNLQUEYYLRI-MHWRWJLKSA-N	416.868	5.386	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c1	5740543	IWHOMEXCNYKYOG-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/C(C)=C\c1ccc(C(C)C)cc1	6830078	OAKYMHYUFYJLQB-RWPBHZCKSA-N	411.977	6.168	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1	11853107	NBGYQEPRGZULDG-SFQUDFHCSA-N	422.485	6.032	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OC(=O)c1ccccc1Cl	13016011	IIVNJQQXZOYDMP-LFIBNONCSA-N	421.836	5.259	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1	33677250	NUORFVQBDRIKIB-BAOGPQIGSA-N	424.529	5.385	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408579534	HJWQUEYUAXINOZ-CIAFOILYSA-N	403.865	5.990	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1C	408770798	ASHFWBSOPATMSY-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(OCc2ccccc2)c1	408799316	KGIAMWZYSQJXEU-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1ccc2ccccc2c1)c1cc2ccccc2o1	408844754	ILZZARJSOTUGJW-QRQIAZFYSA-N	420.468	5.929	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1ccc([N+](=O)[O-])cc1	409344965	JTLNUHBZQDNFOC-UNOMPAQXSA-N	401.378	5.146	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	409389183	ZPTJBRSBPDVHGD-DHDCSXOGSA-N	400.265	5.349	50	40	HKGB	
CCOc1c(/C=C(\C#N)C(=O)OC)c2ccccc2n1-c1c(Cl)cccc1Cl	2386649	IZAQSWOCGXSNNN-ACCUITESSA-N	415.276	5.416	50	40	HKGB	
CCCCc1[nH]nc2c1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)C(C#N)=C(N)O2	5148274	SZGSLUGMWXLUIH-QFIPXVFZSA-N	411.509	5.098	50	40	HKGB	
CC(C)c1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4cccc5ccccc45)c32)cc1	5464097	SYCIGGFMXDHGNQ-QFIPXVFZSA-N	406.489	5.571	50	40	HKGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1cccc(Br)c1	20248554	CEMBXIHDEXRXSE-UDWIEESQSA-N	411.752	5.125	50	40	HKGB	
N#Cc1ccccc1Cn1cc(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc21	33352536	BQEPFRSHEZBZNV-MBTHVWNTSA-N	418.456	5.071	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1ccccc1F	33766785	ULTOKCIAPCAICV-WJDWOHSUSA-N	424.834	5.700	50	40	HKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)C1Nc2ccccc2N1	83326290	KBMBJXGGUDNBNN-NBVRZTHBSA-N	419.488	5.051	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c1	208242194	LZMSRVXYZHWSNS-KCBNLNMNSA-N	421.972	6.225	50	40	HKGB	
Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3)c2C)c(C#N)c1C	408742401	ORTHPRXYBCZUCN-ODLFYWEKSA-N	400.507	5.190	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1ccc(Cl)cc1	408812313	LNQHXKNXAOGTOH-QUYZQLMHSA-N	412.917	5.139	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1cccc(F)c1	408865064	BJNXHFGVEZWDIR-DEDYPNTBSA-N	418.443	5.500	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OCC)c1OCC	409068206	HSQDUDALEMBUHX-QGOAFFKASA-N	410.901	5.412	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3cc(C(C)C)ccc3C)o2)cc1Cl	2055719	FBNIIYJGPBYJOO-LGJNPRDNSA-N	424.928	5.869	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1O	2070360	MCKFOXVGOBGVAB-BRJLIKDPSA-N	421.368	6.058	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC	2162436	LZDKSOHIHTXTGQ-MFKUBSTISA-N	402.450	5.147	50	40	HKGB	
O=C1C(O)=C(CCCCCCCCCCSCCCl)C(=O)c2ccccc21	4715248	IOEKOXFEXNZROM-UHFFFAOYSA-N	408.991	6.361	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc([C@H](C)CC)cc1	4778799	ANFPAFWBZSUIOF-FELJGRNJSA-N	404.510	5.281	50	40	HKGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccc(Cl)cc2)CC1	6276535	MGGDIPPEYROWND-YVNNLAQVSA-N	409.320	5.130	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Cl)cc1	105524287	VKQMCTKAXJALFG-XYGWBWBKSA-N	421.368	6.497	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1	207147026	SVPAZUBSWYCBNG-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1	408566486	ADOWIQQYGWBHNM-BOPFTXTBSA-N	403.844	5.999	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	408592007	XBGIJALRXJCKRP-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(C#N)cc4)cc3)[nH]c2cc1C	408602219	BCKRKMYUKKIPOT-LPYMAVHISA-N	404.473	5.695	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1	408798636	WLPZSPVZFNRCLB-YBFXNURJSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408803599	QZRITAPBOCSQBB-LTGZKZEYSA-N	420.468	5.670	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(OC)c2)cc1	408865004	AAJTWZFKFKUFGW-HYARGMPZSA-N	414.480	5.533	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1	408869856	SBQOVJGANDZMER-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408879120	BRRLDWIUPWCJTF-XIEYBQDHSA-N	416.524	6.593	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1	408955501	XLRDYYBELQWCMU-LGMDPLHJSA-N	404.901	5.051	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Br	408989645	UTVSWENEXDUGIT-ZSOIEALJSA-N	419.706	5.355	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)c1	409045763	HUXJXEUIULJPLQ-LZYBPNLTSA-N	403.309	5.882	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NC1CCCC1	409191548	YXEJQQWTRDTNJO-AQTBWJFISA-N	403.913	5.309	50	40	HKGB	
Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	409389815	CIPXDXUFUZSLLA-ZHZULCJRSA-N	411.436	6.110	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccccc1Oc1ccccc1	3271452	NCMZGTFAXUZFNC-SAPNQHFASA-N	408.379	6.043	50	40	HKGB	
CCc1sc(/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccc(C)cc1	4957137	RXSJAULRNTYBPO-SFQUDFHCSA-N	409.352	6.508	50	40	HKGB	
CCc1cc(C)cc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	6708572	SGYWTHYBMZYFOL-JFLMPSFJSA-N	424.585	5.387	50	40	HKGB	
N#C[C@@H](c1ccccc1OCc1ccccc1)N(C(=O)CCCCl)C1CCCCC1	26895993	MOYNEAUCUXWSQX-QHCPKHFHSA-N	424.972	6.011	50	40	HKGB	
CCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C(=O)c2ccccc2)=C(C)N1	27026505	AZHUSRUTECSNAJ-OAQYLSRUSA-N	408.954	6.062	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(Cl)cc1	33713827	FWMPWZZOOOTXFK-UYRXBGFRSA-N	407.872	6.521	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1	208453021	QNYXRQKANZYQTO-MOSHPQCFSA-N	415.537	5.571	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	213084714	FQSWAKCRMPTIPB-UVTDQMKNSA-N	407.813	5.362	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1	408539456	HVOQHXZYKJSNSR-PKAZHMFMSA-N	420.475	6.209	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1	408581472	IJHAFOHBCOQOQF-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1OC	408583280	TWFNABXOQZJGEV-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
Cc1cc(/C=N\NC(=O)COc2ccc(-c3ccccc3)cc2)c(C)n1-c1ccccc1	408786746	MUOVDUFLLNRKGZ-VEILYXNESA-N	423.516	5.290	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1C	408796225	XLJNGAQVZREBJY-MHWRWJLKSA-N	411.288	6.416	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	408882447	OFJBINGUUIYPBP-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)cc1	408956185	ZBTQHRYYQQEPCI-QGNWGPJTSA-N	415.287	5.137	50	40	HKGB	
C=CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1	409001030	ZWUBHPORAGLIJU-VEILYXNESA-N	423.516	5.576	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1Cl	409008788	HXJPUNIZSMVRSF-AFUMVMLFSA-N	415.320	6.089	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1	409066449	VPAQAGDMYGWZCU-ZVHZXABRSA-N	410.926	5.572	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2cccc(F)c2)cc(OC)c1OCc1ccc(C)cc1	409394024	UNSUCFQVRSZTIA-OYKKKHCWSA-N	413.492	6.514	50	40	HKGB	
Cc1ccc(S[C@H](C(=O)c2ccc(C)cc2)[C@H](Cl)c2cccc(Cl)c2)cc1	4576092	CMHMNBBOAYDXJT-GGAORHGYSA-N	415.385	7.281	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)cn1	4724824	TZVJSAAIDYKMMP-BBTJEBRRSA-N	409.449	5.428	50	40	HKGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1cc(Cl)cc(Cl)c1	40139628	UQSKIKKODUBRIW-VZUCSPMQSA-N	401.278	5.058	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	90427215	DXXLOJFEANTPSN-JLHYYAGUSA-N	407.401	5.171	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C\c2cc(C)n(C3CC3)c2C)c(C)n1-c1ccccc1F	96022530	JOQQLIFVKCFXPK-MOSHPQCFSA-N	401.485	5.776	50	40	HKGB	
Clc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1	100295746	RUXRATSOLYSMAL-JEDBISTDSA-N	408.792	5.469	50	40	HKGB	
CCO/C(=C/C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118926102	MXQFLKHCOJJHMA-ZTBPXPMWSA-N	414.586	5.616	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1OC	408578690	AJBYZMXMKSFLGU-VZUCSPMQSA-N	413.098	5.837	50	40	HKGB	
Cc1c(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc2n1Cc1ccc(F)cc1	408598977	MPZMXZRYLVNZOF-XSFVSMFZSA-N	400.884	6.855	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1	408743621	HGJWQRRGYHOHEJ-ZHZULCJRSA-N	402.881	5.773	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1	408856691	DDTJPULBAATBEY-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(O)cc1	408875979	IIBVYQNGGDDKLM-LTGZKZEYSA-N	422.459	5.821	50	40	HKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)c1	408985361	WPCVOWKJRBBMED-PDGQHHTCSA-N	404.853	5.657	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1	409101588	YQOJAFNENHQTEZ-WGOQTCKBSA-N	416.933	6.408	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccc2ccccc12	409134829	PNWYWYYOPXSAGE-FOKLQQMPSA-N	403.334	5.530	50	40	HKGB	
N#CC(C#N)=C/C=C/C=C/C=C1N(c2ccccc2)c2ccccc2N1c1ccccc1	685944306	JINSUDCCRCHKNQ-PADGRZNPSA-N	412.496	6.904	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@H]1c1ccccc1F	646928	BMOLYNKJUGWKMR-NRFANRHFSA-N	408.436	5.101	50	40	HKGB	
O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@@H](Cl)COc1ccc(Cl)cc1	1569095	KGSYBSJZBANDBQ-NSHDSACASA-N	409.096	5.882	50	40	HKGB	
CC(=O)Nc1nnc(/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)s1	4539927	RPLHLNWUDXABSJ-UXBLZVDNSA-N	405.266	5.127	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)c(OCCC)c(OCC)c2)cc1	20198023	JAZUYFXIISCJKS-BUVRLJJBSA-N	418.921	5.080	50	40	HKGB	
CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc2c(c1)OCCCO2	58265186	HYKXCPDLIFSBJL-UWJYYQICSA-N	409.617	5.375	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1	59410663	QJJVMUQVSGLZGF-WPWMEQJKSA-N	400.522	5.635	50	40	HKGB	
O=P(CN(CCc1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1	100090607	SEGFGSBUOSJQCU-UHFFFAOYSA-N	411.485	5.707	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2cccc(Br)c2)c1C	165460098	BQGKDPBXDSDVPH-XKZIYDEJSA-N	419.366	6.792	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C	208193656	CUANDQWPUZAUKW-PMFHANACSA-N	407.945	5.916	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1	408530562	MEZHNWNDIFSMFX-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1	408582470	OGSIQRUMROSMKV-CJLVFECKSA-N	409.460	6.631	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc4ccccc4c3)cc2)c1	408744796	MZOONOKVGHQMLI-XYGWBWBKSA-N	418.496	6.273	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)c(C)c1	408803113	LIDPJIBOSMJJNZ-KGENOOAVSA-N	414.480	5.876	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1C	408960061	IVXHWDNGXJNOOV-PDGQHHTCSA-N	400.434	5.116	50	40	HKGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3cccc(Cl)c3)c3ccccc32)o1	409393850	SRHOBYKDONYTPK-BOPFTXTBSA-N	416.864	5.787	50	40	HKGB	
CC1(C)[C@]2(C(=O)Nc3c(Cl)cccc3Cl)CC[C@@]1(C)C(=O)[C@H]2Br	2172584	FHNPPLVMNBLNFV-OAUYIBNBSA-N	419.146	5.091	50	40	HKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1cccc(Oc2ccccc2)c1	3515410	YYQZLKVYEONSAM-MZJWZYIUSA-N	413.399	5.060	50	40	HKGB	
CCOC(=O)/C(C#N)=C1\C=C2C=C(/C=C3\Sc4ccccc4N3CC)CC[C@H]2CC1	39440282	UYLRCNPAVNWIOR-VADLPJMZSA-N	418.562	5.900	50	40	HKGB	
CC(C)(C)[Si](C)(C)OCCOCCOCCOCCO[Si](C)(C)C(C)(C)C	196412935	HCVRHLFCHWFKFG-UHFFFAOYSA-N	422.755	5.080	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)nn2-c2ccc(C)cc2)cc1	408725479	PYQNEABERORGBR-JVWAILMASA-N	412.468	5.059	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(F)c1	408740306	AZLJNOMABWLVCH-MOSHPQCFSA-N	416.452	5.349	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1	408746326	YKICYJCVVTWUAQ-RGEXLXHISA-N	419.912	5.692	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408802378	ZPLSYHOOUUINJW-FOWTUZBSSA-N	423.299	6.257	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c(OC(C)C)ccc2ccccc12	408819506	ZBQNFSOULOMRDJ-LDADJPATSA-N	404.897	6.135	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)cc1	408868400	OLBPNIZTWXHMSN-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)c1	408935589	HZMKWCPMRFQQNO-NDENLUEZSA-N	402.881	5.773	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1cccc2ccccc12	659969	NBTFUXAUGNKMTQ-JFLMPSFJSA-N	407.395	5.413	50	40	HKGB	
C=C(Cl)[C@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Cl	1533878	OVLCIYBVQSJPKK-PSASIEDQSA-N	401.397	5.673	50	40	HKGB	biogenic,in-vitro
C/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(-c2ccccc2)cc1	4017820	CAHDRHOBHCYUPO-NHFJDJAPSA-N	400.522	5.705	50	40	HKGB	
CC[C@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C/C(C)=C\c1ccc(C(C)C)cc1	6784295	OAKYMHYUFYJLQB-DGKPLKIPSA-N	411.977	6.168	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	9262929	MSILRGYAVKNRKX-BRYYZUPOSA-N	403.309	6.025	50	40	HKGB	
Cc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	58832728	UYKWHGLARPTHBO-NTCAYCPXSA-N	407.267	5.563	50	40	HKGB	
CCCCCCCCCCCCCC(=O)NNC(=S)Nc1cccc([N+](=O)[O-])c1	97995596	IVQNJKBUFCVSKG-UHFFFAOYSA-N	422.595	5.614	50	40	HKGB	
COc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)cc(OC)c1	195950756	DDFSHSMPMRHYOG-KTKRTIGZSA-N	400.591	6.267	50	40	HKGB	in-vitro
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1Cl	408857071	JJXPONRPLASQMG-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)c([N+](=O)[O-])c1	408891611	TZUVHOBXLKLYDN-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408921299	AHNPETSTWZTOFW-XBXARRHUSA-N	414.607	5.240	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccccc1-n1cccc1	408931436	LORAGZXDKVOLBX-JVWAILMASA-N	422.410	5.051	50	40	HKGB	
CC1CCN(c2ccc([N+](=O)[O-])cc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)CC1	409275141	SCNWBXYYIQSCLT-SFQUDFHCSA-N	424.888	5.030	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)Nc1ccccc1F	3189906	DWZYLSDBQWUBRE-SSZFMOIBSA-N	414.465	5.286	50	40	HKGB	
Cc1nc(Cc2ccccc2)sc1C(=O)N/N=C\c1c(Cl)cccc1Cl	5183810	TYUPFNVQRIQJRK-JJFYIABZSA-N	404.322	5.113	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](N=C=S)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	5434421	OTQCKYVOOJVJQT-SZMXVKILSA-N	415.599	5.167	50	40	HKGB	biogenic
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	5918875	BXWFMHBSQKSOFM-ACCUITESSA-N	413.260	5.808	50	40	HKGB	
N#C/C(=C/c1sc(N2CCCCC2)nc1-c1ccccc1)c1nc2ccccc2[nH]1	6161359	BIMFJGDFHGONMO-SDXDJHTJSA-N	411.534	5.741	50	40	HKGB	
O=C(Nc1ccc(Cl)c(Cl)c1)OC[C@H](Cl)COc1ccc(Cl)cc1	6512592	KGSYBSJZBANDBQ-LLVKDONJSA-N	409.096	5.882	50	40	HKGB	
N#CC(=C1SC(c2ccccc2)=C(c2ccccc2)S1)c1nc2ccccc2[nH]1	12523834	UTJFCRKITKGDBV-UHFFFAOYSA-N	409.539	6.761	50	40	HKGB	
O=C(N/N=C\c1c2ccccc2cc2ccccc12)C(F)(F)C(F)(F)C(F)(F)F	16525771	UFROPEODZFLCDZ-NCAUGAEKSA-N	416.296	5.276	50	40	HKGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	57523654	SAXIFXOHDNOSJF-XMHGGMMESA-N	405.954	6.518	50	40	HKGB	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1sc2c(c1C#N)CCCC2	59116646	FQOUJVFWSYJXRH-UKTHLTGXSA-N	401.413	5.063	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(F)c2)c1C	59137358	IJJRWUOWRDECJJ-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1	223481546	DRWGZNLVIANUBK-MOSHPQCFSA-N	415.537	5.651	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C	223597609	GQCLUVBMQPKGIR-IAFWPLRWSA-N	401.554	6.041	50	40	HKGB	
N#C/C(=C/c1cccc(I)c1)c1ccc(Cl)c(Cl)c1	408586769	POBRTLSSZNZZCL-SDQBBNPISA-N	400.046	5.662	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc4ccccc34)cc2)c1	408746097	XGINAYJYZMWOER-ULJHMMPZSA-N	418.496	6.273	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1cccc(F)c1	408881104	MCQVRLMNISYLEJ-HYARGMPZSA-N	414.480	5.669	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408984818	SUHHWTFRUGFQGE-QPEQYQDCSA-N	409.700	5.900	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2F)c1C	408985720	YDIWKLNGKPYUMS-PDGQHHTCSA-N	407.876	5.741	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c1	409362185	IAONVLLZBXGFAC-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
CCc1ccccc1NC(=O)[C@@H](Br)[C@H](Br)c1ccccc1	1801169	HHRGOUXDRDTFTC-CVEARBPZSA-N	411.137	5.087	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1nc2ccccc2s1	4604744	FBPILRBCWPNYBO-LDADJPATSA-N	402.906	6.593	50	40	HKGB	
CCOc1ccc([C@@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	6355269	KJDKTPNNQKHWQD-QFIPXVFZSA-N	414.530	5.511	50	40	HKGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@H]1c1c(Cl)cccc1Cl	6577098	WGHQQXSBQFWGEQ-CQSZACIVSA-N	416.333	5.213	50	40	HKGB	aggregator
COc1ccc(/C(C)=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1	14921352	REIYKGJTVHPKMY-NLRVBDNBSA-N	410.558	5.328	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])cc1	15009033	SITDJHSJIWCCRX-SFQUDFHCSA-N	412.474	5.995	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	20764223	GOZDHPWTYDWXNH-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1C	28216713	DKVNZNNIEKVAJV-YNYZQSIGSA-N	419.594	5.483	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc([N+](=O)[O-])c1O	36160094	LREKYHAURKAMKB-AWNIVKPZSA-N	413.842	5.150	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1	209491564	HDRZDKPLSKSWAY-UDWIEESQSA-N	422.297	6.540	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)c1	408755453	NUJASAZQORJFAG-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2c(C)cccc2CC)c1C	408854400	DYXUADCWELNVHG-JLPGSUDCSA-N	411.549	6.073	50	40	HKGB	
CCCCCOc1ccc(/C=N/NC(=O)COc2ccc(CCCCC)cc2)cc1	4416207	FGGOPJRABYZQEG-LGUFXXKBSA-N	410.558	5.517	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCCOc3ccc(C)cc3)cc2)cc1OC	4675075	IWBQSDBTLLCDKX-CJLVFECKSA-N	415.489	5.534	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(F)cc4)CC(=O)N3C2)cc1Cl	4922688	CYTBKZVJJXQDRQ-KRWDZBQOSA-N	413.905	5.007	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)c(C)n1CC(C)C	12528907	DNWXVQPJCPURPM-XKYMITNMSA-N	420.582	5.248	50	40	HKGB	
C/C(=N\NC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C	12879286	VQKFSRAIZXMPGG-JFANQVLESA-N	419.613	6.012	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	23217267	PGODPMLDLZWRJH-UKTHLTGXSA-N	423.812	5.062	50	40	HKGB	
Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1C#N	33482716	GFSGCSIGTDDUMN-HMAPJEAMSA-N	418.456	5.842	50	40	HKGB	
Clc1ccc(S[C@@H]2C[C@@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1	100401816	RUXRATSOLYSMAL-AXUOBQJMSA-N	408.792	5.469	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2ccc3ccccc3c2)cc1	408549912	BLGPPMOHVXGYBE-UQQQWYQISA-N	418.496	6.230	50	40	HKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408793892	HDVNENRKHRTRKZ-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)c(OC)c1	408809455	HCWWTJMXZVHXPZ-SDLXJUDFSA-N	414.505	5.249	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccccc2)cc1	409218890	XUJZNMIFOSQFGR-OEAKJJBVSA-N	412.967	5.734	50	40	HKGB	
C/C(=N\NC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1cc2ccccc2o1	5603655	NKSODPCRXCBGRG-BUVRLJJBSA-N	414.490	5.296	50	40	HKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1	5946533	BUJIKRCVIRGGMN-JXAWBTAJSA-N	402.837	5.105	50	40	HKGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(N(CC)CC)cc2)cc1	6146645	ZSWLIEZYCKODIU-FXBPSFAMSA-N	419.525	5.035	50	40	HKGB	
Cc1cc(C)cc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	44827292	PXHBWCBPBYBLSN-GXDHUFHOSA-N	400.334	6.710	50	40	HKGB	
Cn1c([C@@H]2CCCCN2C(=O)CCCC[C@H]2CCSS2)nc2ccccc21	56132110	FWGBHZWTNVPBIO-LPHOPBHVSA-N	403.617	5.341	50	40	HKGB	biogenic
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2[C@@H](C)CC1(C)C	223576840	HTJACIJTNCXREH-IAFWPLRWSA-N	401.554	5.961	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1	408807035	JWNGNSXQCZAPEO-MPMPPSQCSA-N	421.840	5.293	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	408983726	HIVBDZSGQRXZGT-LCYFTJDESA-N	423.812	5.068	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(/N=N/c2ccccc2)ccc1O	408984710	JNWSSHZOFABWSQ-KXMQOQRNSA-N	416.868	6.315	50	40	HKGB	
O=C(N/N=C/c1ccc(Br)o1)c1ccc(CSc2ccccc2)cc1	408994535	HYGFIKWQQJUZAV-CIAFOILYSA-N	415.312	5.098	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	409121391	WQNQCNJACIJXAO-YYHBXHNPSA-N	419.594	5.650	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)N(CCc1ccccc1)Cc1ccccc1	2308728	UVXPZZKMLCCCRU-UHFFFAOYSA-N	411.485	5.660	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)C(=O)NCc1cccs1	18173608	MOBMLQSMBHMCFU-LDADJPATSA-N	415.493	5.114	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1	59433016	BPZKJENPJNXRQF-RCCKNPSSSA-N	404.510	5.020	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(CC)C(C)(C)C[C@@H]2C	208330477	JQWNAHOYPLNFCW-MAGMUUGSSA-N	415.581	6.215	50	40	HKGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	408719639	ILPLGFRDRQQZFL-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	408719898	OXGDSRSHGBWFTL-SCELWYEFSA-N	424.953	5.550	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccccc1Cl	408786352	ICQXULPMNQOHJB-NDENLUEZSA-N	424.928	5.088	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc2ncccc2c1	408965458	HQADMMJACUUCMZ-BKUYFWCQSA-N	417.434	6.725	50	40	HKGB	
COc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1	409188248	XTEHGKIMSRNQIK-MTJSOVHGSA-N	401.875	5.248	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)cc1C	2176263	MUHDBDKBQYZUGF-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)[C@H]1C[C@@H]1c1ccccc1	5516442	DBGYBHNVUJHVOS-KDSHDWLSSA-N	411.480	5.083	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c(C)c1	20194829	HQANGADYNULDCW-VULFUBBASA-N	407.945	5.366	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	28217383	DHLWOKZXQZPBOD-BRJLIKDPSA-N	414.336	5.782	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C\c2ccc(C(C)(C)C)cc2)nc1-c1ccccc1	31870544	YAHZNGDJINFUBV-CYVLTUHYSA-N	415.562	6.520	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3Br)o2)cc1	59335026	OFTUTDXBGFKCEJ-FOWTUZBSSA-N	421.294	5.872	50	40	HKGB	
N#C/C(=C\c1cccc2c1OCCCO2)c1nc2cc(C(F)(F)F)ccc2s1	96401788	KMUQWCNGHMPYIJ-UKTHLTGXSA-N	402.397	5.541	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1	209487563	OZMLGOSLLOMBMR-CIAFOILYSA-N	421.899	6.829	50	40	HKGB	
CC1(C)[C@@H]([C@H](Br)[C@@H](Br)c2ccccc2)CC[C@]1(C)C(=O)O	245239405	IPAYRHXWIXEEOF-XJIUQZFPSA-N	418.169	5.413	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1Cl	408590225	OFFACYYODNJWLB-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(O)cc1	408797012	ZUAQLFLCMQKHMG-CJLVFECKSA-N	420.468	5.670	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408813009	CSQZRQIGTRLWEL-GHRIWEEISA-N	416.864	5.059	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(F)c(Cl)c1	408847461	MMTUQFMBVYRBOH-ROTLSHHCSA-N	409.848	5.397	50	40	HKGB	
N#CCCN(C(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1	2669944	LXMOLAWQBMHKKT-PTGBLXJZSA-N	407.473	5.119	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccccc3)c2C)c1	4894804	UKPYMJKXCYNPQD-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C	13945633	RYNRSWYPYRHYFR-MYKKPKGFSA-N	417.292	5.399	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1Br	15013744	GSHDDIKVIGOOKJ-OQLLNIDSSA-N	406.707	5.964	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	33598442	HBLWYRSSIZWKJI-PBTLCFMXSA-N	419.308	5.725	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	59292031	ZSHGSFBKQGQNRZ-SFQUDFHCSA-N	421.294	5.547	50	40	HKGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59473280	IZWWMVIEVVJNPX-PCLIKHOPSA-N	424.953	5.552	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1	102625899	CNYQNXRNFUQXAY-BOPFTXTBSA-N	404.451	5.049	50	40	HKGB	
CC(C)(C)c1cc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)cc(C(C)(C)C)c1O	107612663	QCHQMHBVAQNYJV-YVLHZVERSA-N	420.509	5.231	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1	408542713	KQXHDFGVXZRICL-NDENLUEZSA-N	419.864	5.690	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc12	408744514	LSGWWDGPAWDFKZ-SSZFMOIBSA-N	421.294	5.547	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1	408810435	IXOMCWAKAUHSBN-JWGURIENSA-N	412.464	5.679	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)cc1	409360795	NKEYKUAIMQJHTC-VEILYXNESA-N	408.501	5.420	50	40	HKGB	
CCCCOC(=S)SSC(=S)SSC(=S)OCCCC	4692285	OLXYACLVVFEWMX-UHFFFAOYSA-N	406.732	6.237	50	40	HKGB	
Cc1ccc(OCCOc2ccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cc2)cc1	8306899	IWWXZBVMHIZXLJ-LTGZKZEYSA-N	400.434	5.425	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(OC(C)C)cc3)c2C)cc1	16292975	OGRLUZIZZLLXOE-JCMHNJIXSA-N	413.521	5.735	50	40	HKGB	
O=C(/C(=N/N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1	16953180	HYFDCAFVXUSGCN-AZPGRJICSA-N	404.469	5.621	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc2ccccc12	408599521	ILYQBDHBFSZRJR-RDRPBHBLSA-N	423.560	6.309	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408743438	AFMITZPTFUXQEV-ZHZULCJRSA-N	403.913	5.856	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1	408881278	KPFAXDPWNRRGQJ-LTGZKZEYSA-N	416.908	5.875	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)c1cccc(F)c1	409391665	JIATYXCZRUCTIS-HAHDFKILSA-N	404.444	6.494	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)cc1	4651580	VPZJWSQFCSCBNQ-QKVDBLROSA-N	423.516	6.437	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)o2)c([N+](=O)[O-])c1	39884789	KEYGWEMPIBEJER-NBVRZTHBSA-N	423.428	5.862	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1[C@H]1C[C@H]2C=C[C@H]1C2	103119668	HSYSEAFNRKHXOD-CUBKBFNLSA-N	412.537	5.506	50	40	HKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)c1	105997361	NAPQYOPJISACTN-OVVQPSECSA-N	416.521	5.056	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc21	208471182	PUCHFASMEVFJHY-ZDLGFXPLSA-N	405.929	5.826	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1F	209482939	SUQBWUUDJLULLT-RGVLZGJSSA-N	407.872	6.439	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)c1	260565289	HVFWHTUUCSQHFW-GTPWMTBTSA-N	407.558	5.268	50	40	HKGB	
N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)c1nc2ccc(F)cc2[nH]1	408566948	BTYHODDGCNOMAV-RVDMUPIBSA-N	405.885	6.571	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccccc3Cl)c3ccccc32)cc1	408587872	HPCRNHMXFOBAHE-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1C	408793334	DYJHOBIMVZWMKP-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1	408872768	ILXDCALYIKKDTD-CPNJWEJPSA-N	417.852	5.385	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1cccc2ccccc12	409204725	JRGJRWWFAWOCAJ-QQNPRBCQSA-N	406.489	5.005	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1	409228362	XVMCJKCAQYMIPV-XDHOZWIPSA-N	423.438	5.967	50	40	HKGB	
Cc1cc(C)c(C(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c(C)c1	1593888	NQIDOKJBMUNLID-SJORKVTESA-N	410.149	5.694	50	40	HKGB	
COc1ccc(C(=O)[C@H](Cl)[C@H](Cl)c2cc(Cl)c(OC)c(Cl)c2)cc1	1685469	NTLSRRWXWHTNQB-HUUCEWRRSA-N	408.108	5.781	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1	2426451	RDGDJZPACDUYFZ-WYMLVPIESA-N	401.447	5.111	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3)c2C)c(C)c1	4894797	KFZAOADSUNNJMC-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	5025748	GDRCQDZUZJABSG-BKUYFWCQSA-N	402.519	5.859	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccccc2C)cc1	9202475	QRZGUALYZIZOPZ-OGLMXYFKSA-N	408.501	5.800	50	40	HKGB	
CC1=C(C#N)[C@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1	19832403	IVBFHZGZKMUSMP-JTSKRJEESA-N	419.322	5.334	50	40	HKGB	
Cc1cc(N/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2Cl)c2ccccc2n1	33408259	GQCHWDGTUVBMTP-KAMYIIQDSA-N	418.305	5.101	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(C#N)cc1	96399270	UHDZSELLEOJEBO-MWLSYYOVSA-N	424.891	5.581	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](Br)C2=O	102872456	CAZOMVNBOBEWSG-JCURWCKSSA-N	419.146	5.091	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208198182	MIHGMGLLNRZQDT-SAGYFLTASA-N	409.537	5.417	50	40	HKGB	
CN(CC#N)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C	253499560	JOKRPORJXQCDAP-HGVKIRJJSA-N	421.025	5.004	50	40	HKGB	biogenic
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408788048	AJBWMMDHXDVJPT-OQLLNIDSSA-N	417.292	5.503	50	40	HKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408789833	MFZDPQRTWRLXEI-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	408799628	HDWALFHGQPUCCD-NTRYICDMSA-N	419.528	6.032	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	408861870	DYKRESGJSPBOIK-WGOQTCKBSA-N	416.546	5.429	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409249629	UXLZAPNYUJHTLP-GRRFOWRYSA-N	422.834	6.082	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	4813968	IGAYQSVEYSOTPQ-FTWDSPQQSA-N	410.901	5.643	50	40	HKGB	
COc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(C)cc4C)c32)c2ccccc12	8382701	OKRLBKLJUFTQOW-JOCHJYFZSA-N	422.488	5.074	50	40	HKGB	
O=C(N/N=C/c1ccccc1Oc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1	12958978	CKCDVCLEZYNUBO-LGJNPRDNSA-N	418.802	5.915	50	40	HKGB	
CCOc1ccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1	27585367	UKLHADOVRYDCQX-UHFFFAOYSA-N	420.944	5.937	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1Cl	33789606	VAELWAPVSQSUOA-YVLHZVERSA-N	412.276	6.373	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1	408745130	PPIRJXPKXQEXMS-VBKFSLOCSA-N	407.267	5.563	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(Cl)cc1Cl	408848845	WMRFXMNXZRJIQJ-XFFZJAGNSA-N	412.114	6.013	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1	408866585	HFTZUDZDPMVANB-CPNJWEJPSA-N	420.871	5.624	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc12	408915636	QJDFFJPYDQPOLY-MFKUBSTISA-N	410.901	5.201	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	409181947	GZNICEGZBLGTMD-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1	409208610	DAYXPUALMAJRGG-MTJSOVHGSA-N	415.449	5.162	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3c(F)cccc3Cl)cc2)NC(=O)N1	409373508	UXXLMPZRBNZIMV-LJQANCHMSA-N	413.880	5.236	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1	2276579	DFROKMBCHWICIZ-NRFANRHFSA-N	412.555	5.984	50	40	HKGB	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)nc12	16742444	FQVFMSKIGXATAB-NBVRZTHBSA-N	412.880	5.509	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccccc1Cl	17700263	TZGWNAKYYJPERQ-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
Cc1cc(Cl)ccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	33355037	MIHQBLRBDCTNNZ-UHFFFAOYSA-N	401.877	6.458	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)cc1C	34902526	QLXMRZNBMZCBMB-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c1	39884509	HRXWRDGOHJZXBB-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
COC(=O)CSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	102881443	UKQXTJCDNRYVMX-INIZCTEOSA-N	423.321	5.169	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408568928	LNDCMHLCFYABCQ-ZROIWOOFSA-N	413.294	5.375	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1	408737782	GSXMVVUEHCFPIM-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2cccc(F)c2)c1	408888849	BUSATYWAPQMKDG-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	409111863	DKSRYXQRWWGWDU-YNYZQSIGSA-N	419.594	5.650	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1	409373088	PGTPCDAXPKKETB-LGMDPLHJSA-N	402.279	5.202	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCCc1ccccc1	936550	MLTRRBOUJNTJRD-NBVRZTHBSA-N	410.395	5.231	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc(OC)c1OC	5696157	VQBXJVPOINURCW-SFQUDFHCSA-N	421.522	5.429	50	40	HKGB	
N#C/C(=C/c1ccccc1F)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	8809434	CQGVRKSOXLASMP-BOPFTXTBSA-N	424.456	6.273	50	40	HKGB	
O=C(N/N=C/c1ccc2ncccc2c1)c1cc(-c2cccs2)nc2ccccc12	12511384	RJBZFBBZIRVPIA-CVKSISIWSA-N	408.486	5.275	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc21	208247499	BPSFTIOBGZXOQX-DZGUVLCISA-N	407.945	5.285	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(Br)c1	408787283	WLFVVKKNWUJSQX-YBEGLDIGSA-N	422.238	5.609	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	408791494	YEFPLLCLQPRQDB-LDADJPATSA-N	410.901	5.412	50	40	HKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408812958	CFMFSMNUBNRYJW-FBJMNJBLSA-N	403.309	5.394	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1cccc2ccccc12	409249241	GXLGLXSAVMTQLI-MFKUBSTISA-N	407.901	5.061	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)o1	409373101	PMRJVOBBWFDSFT-FOKLQQMPSA-N	403.265	5.238	50	40	HKGB	
COc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2C1	4923372	GHUDXCAQHIYQLD-IBGZPJMESA-N	419.550	5.038	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccnc1	6548987	IDVHEEANRNHOSY-LQKURTRISA-N	404.473	5.002	50	40	HKGB	
CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=N\NC(=O)c2cccnc2)C(C)(C)CCC1	17325374	RZZQUTADLRVOLI-YFMPOSHESA-N	403.570	6.329	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	58871150	XMRNQEIMCAAPKL-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(Br)cc1	408600366	BTXFMRKDPMTBPL-NTEUORMPSA-N	402.650	6.566	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(N(CC)CC)cc1	408771719	BOLQKJFQYRQSAZ-JZJYNLBNSA-N	413.521	5.630	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	408848088	OVAIFRAGMQDLQR-QNGOZBTKSA-N	423.516	5.374	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1[N+](=O)[O-]	408887818	RIZXKXNNLOKEJV-XDJHFCHBSA-N	407.470	5.408	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1	408967739	UHTRLOPIFUBWRI-HAHDFKILSA-N	420.516	5.750	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	858306	ZBHUFNVPVJQSKV-GXDHUFHOSA-N	416.786	6.164	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)C(=O)OC1CCCCC1	1453363	PACNRZGDYYFXFB-NTCAYCPXSA-N	400.272	5.492	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OCc1ccccc1	2849166	BVSMYKOHLNVOON-YBFXNURJSA-N	420.852	5.900	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)NCc1ccccc1	3217459	BMLBRUSQSFDAGN-KOEQRZSOSA-N	418.496	5.642	50	40	HKGB	
Cc1cc(C)c2nc(/C(C#N)=C/c3c4ccccc4cc4ccccc34)[nH]c(=O)c2c1	15634726	IXZODYZUYZEHLP-XSFVSMFZSA-N	401.469	5.911	50	40	HKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2n1C	25390299	DVAHJJZPJVGYIJ-SDNWHVSQSA-N	408.292	5.438	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc(Cl)c1	59435267	FTOZGQAVUWFBIK-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@H](Br)C2=O	100868254	FHNPPLVMNBLNFV-CSMYWGQOSA-N	419.146	5.091	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1	223487445	BSJNJKVODKEGJJ-HMAPJEAMSA-N	413.565	6.205	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c2ccccc12)C(=O)Nc1ccc(F)cc1	408777888	LAPLYUPECNNICM-PGMHBOJBSA-N	422.459	6.104	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c1C	408855160	CVENQTYMAXOUGQ-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1F	408870726	WPHXZABTZPPVLS-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
CCOc1ccc(/C(C)=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409127661	FGVRQTLDLBIMGH-LPYMAVHISA-N	411.354	5.166	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1	408586284	MNOBCRMKVUVENM-GHXNOFRVSA-N	403.196	6.365	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccccc1Cl	408587725	GUOFGGQNVGDZKF-JVWAILMASA-N	415.924	5.594	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12	408820446	XUCLYPRWKGWXDS-BHGWPJFGSA-N	418.324	5.855	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cc(C)cc(C)c2)cc1	408866247	GLFSKFXWKRDQSK-JJIBRWJFSA-N	410.517	5.839	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1ccccc1Cl	408872343	DJJKOZOBLCVYEA-FYJGNVAPSA-N	416.908	5.794	50	40	HKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(Cl)cc1Cl	409243283	RNIKLYCNGCUFEM-YBFXNURJSA-N	421.302	7.200	50	40	HKGB	
COc1ccccc1-c1cc(C(=O)N/N=C/c2ccc(C)s2)c2ccccc2n1	1003429	NNHCIFIEOHNHGT-ZVHZXABRSA-N	401.491	5.044	50	40	HKGB	
COc1ccc(/C=C2/CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OC)cc2)cc1	3885205	JBNLLEISOAYPQS-QWURTARCSA-N	424.928	5.066	50	40	HKGB	
O=C(NN=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cc2ccccc2[nH]1	4548636	AKRBSMQPWXZDSF-UHFFFAOYSA-N	408.288	5.657	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	4719799	IIBUWZNCIKUHBQ-DZAWMCJLSA-N	400.522	5.400	50	40	HKGB	
CC(=O)N(c1ccccc1)c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1	7156663	QUQIXFNJLGPPLU-RVDMUPIBSA-N	402.504	5.502	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3cc(C)cc(C)c3)c2C)cc1	58926655	QOVINUFCYAEMIF-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	59117157	YKXWYDKYVYVOFO-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1Cl	59117253	BGJQXDDYHSFWDF-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
N#CC1=C(SCC(=O)Nc2ccccc2F)N=C2CCCC(O)=C2[C@H]1c1ccco1	100703278	ZSVWNRSJPABBEO-HXUWFJFHSA-N	423.469	5.060	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2cccc(C)c2)c2ccccc12	207059169	KKERCTAYLRMUAP-KQWNVCNZSA-N	419.528	6.106	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2c1	408780819	LLZGRFZILJYXSV-LGMDPLHJSA-N	404.441	5.322	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccc(Cl)cc1	408826163	SXUGXNGNZHOWCZ-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1	408866248	GNDDOCYLYOXXTA-LTGZKZEYSA-N	416.908	5.875	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1	409221657	ULAKXCQSZCCWOL-ZMOGYAJESA-N	415.345	6.217	50	40	HKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1ccc(Br)cc1	1102862	ZQMNGXAMRDNGED-LFIBNONCSA-N	422.238	5.609	50	40	HKGB	
CC(C)(C)c1cc2oc3c(c2c(/C=N/NC(=O)c2ccccc2Cl)c1O)CCCC3	2287484	GPKCZZAWKJEQOQ-LGJNPRDNSA-N	424.928	5.732	50	40	HKGB	
Cc1ccc(CSC2=C(C#N)[C@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1	8463643	CPZBGDBEKAOLFI-OAQYLSRUSA-N	420.603	6.055	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	33653350	JCKBCYPJMPHBKX-ODLFYWEKSA-N	401.378	5.146	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1F	59117173	ZJAZALWMCYOSPT-PDGQHHTCSA-N	420.415	5.098	50	40	HKGB	
O=[P@](Nc1cc(Cl)ccc1Cl)(c1ccccc1)c1nc2ccccc2s1	101914550	HOPMWCVAXMOCNY-RUZDIDTESA-N	419.273	5.944	50	40	HKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1cccc2ccccc12	226327607	QPCXSJBPBPEQRJ-UHFFFAOYSA-N	419.702	5.959	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	408782894	KWNLAGQUTCIERB-CHHVJCJISA-N	423.727	5.657	50	40	HKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408788641	LUWPFOYVDRDHRE-NTUHNPAUSA-N	409.700	5.900	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)ccc1Cc1cc(C)cc(C)c1	408866784	GQJWUPVVINMTNE-AFUMVMLFSA-N	424.544	6.065	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1ccccc1F	408870677	WJJGJWZOBDEXIV-YBFXNURJSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)c2C)cc1	408895568	LFWALYZNLPPAFB-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc(Cl)cc3)o2)ccc1Cl	409366677	UPWISTLNKFQZLS-WJDWOHSUSA-N	412.272	6.494	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)[nH]c2c1	409390524	DVAGXKBVJUCTCF-MDWZMJQESA-N	419.824	5.247	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	409391743	LAVPIGFPXYEBQE-VUTHCHCSSA-N	422.528	5.909	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(C)cc1	409394154	WOPFEOFQJBHYDW-JMIUGGIZSA-N	407.872	6.439	50	40	HKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccccc3F)c3ccccc32)c1	6267990	XOYWJCLOHHPQDM-RGEXLXHISA-N	409.464	5.792	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	9354512	KXZNPOHPNPVSJJ-LGMDPLHJSA-N	420.852	5.322	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)cc1C	28216396	UISUZEQMCVKKBS-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	58926624	CCXROIXGWNSXGO-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc(C)c1Cl	67192503	HPYQCWPKMFDMGC-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408579956	LYYUFMVOAINHMO-RIYZIHGNSA-N	406.696	6.122	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408735311	QHUCVIHTUFINRK-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)C(=O)Nc1ccccc1	408813317	QBERPLSHAZWINK-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3[N+](=O)[O-])c2C)cc1	408898103	KOSNOVMMMVUPNH-DEDYPNTBSA-N	414.465	5.165	50	40	HKGB	
Cc1cc(/C=N/NC(=O)COc2ccccc2Cl)c(C)n1-c1ccc(C(C)C)cc1	408993417	CQTWIWLMIKFXBD-VULFUBBASA-N	423.944	5.400	50	40	HKGB	
Cc1c(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc2n1C	409037008	MPEJBCRKWBSXJY-QRQIAZFYSA-N	418.500	5.466	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccccc1	409050939	DVRUKVOIMKPRBB-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)NC1CCCC1	409193740	LEORPACIJHQCLR-HKWRFOASSA-N	414.480	5.524	50	40	HKGB	
Cc1cc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc2c1	898845	GCXRMFIYMUCQBS-OAQYLSRUSA-N	411.892	5.876	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)c1c[nH]c2ccccc12	3311309	XQYIBGSECBIVGS-NTEUORMPSA-N	412.798	7.164	50	40	HKGB	
Cc1cc(N(C[C@@H](C)Cl)C[C@@H](C)Cl)ccc1/N=N\c1ccccc1C(=O)O	4773904	JQPLQOXRRNSXTM-KBYYGTHCSA-N	408.329	6.170	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O[C@H](C)CC	6160325	QLQXCCMFYDXAFT-DISPHTKASA-N	409.917	6.165	50	40	HKGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C\c1c2ccccc2cc2ccccc12	6782528	NVAQMBCHVWXZDG-DHHPCVNASA-N	411.332	6.034	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccco1	14134787	ZIQAOEIIFZTOJG-AFUMVMLFSA-N	404.853	5.429	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc(C)cc1	34837642	KQWWZBWDWKTBCE-HFTWOUSFSA-N	414.549	6.160	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	59117021	LGLFHLZPLFTWBN-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	59282037	QUUJUNPONJCALU-XNTDXEJSSA-N	404.388	5.048	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	59513545	UWUDWXAXONNCQC-FOKLQQMPSA-N	407.684	5.600	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc2ccccc2c1	107726791	FAGXJPCWIIPHNT-XDHOZWIPSA-N	400.821	6.726	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2[C@@H](C)CC1(C)C	223535341	GOMAPDBNVAIKKN-IAFWPLRWSA-N	401.554	5.961	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1Cl	408540662	UZCIHVBTXAHMLB-OYKKKHCWSA-N	407.341	6.025	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)C(=O)Nc1ccccc1	408743561	BBWHJZPQPPTJEH-RGEXLXHISA-N	422.444	5.143	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1O)C(=O)Nc1ccc(OCc2ccccc2)cc1	408883535	VOUJUOCWGQXXBU-LDADJPATSA-N	404.853	5.170	50	40	HKGB	
Cc1ccccc1-n1nc(C)c2c1OC(N)=C(C#N)[C@H]2c1c(Cl)cccc1Cl	856163	RRAVWIMDBNBHME-GOSISDBHSA-N	411.292	5.014	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C	4616406	YAUJQYIPBFUBHX-XDHOZWIPSA-N	404.554	6.150	50	40	HKGB	
O=C(N/N=C/c1cccc2ccccc12)c1cc(-c2ccccc2)nc2ccccc12	4872029	JZZFXDYSDBMHQC-MTDXEUNCSA-N	401.469	5.819	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc(Cl)c1OC	6410983	PLPUANJOINPAPH-VZUCSPMQSA-N	411.672	5.210	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1	20194631	AJAOREGNYYLXDK-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1	59255589	SCJZYQBOSWTDCK-BOPFTXTBSA-N	415.320	5.538	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)N(C)C)cc(Cl)c1OCc1cccc2ccccc12	59334297	ODXBKTRPNCUCAS-ODLFYWEKSA-N	420.896	5.076	50	40	HKGB	
c1ccc([P+](CC23CC4CC(CC(C4)C2)C3)(c2ccccc2)c2ccccc2)cc1	100166804	YLFKCCOYESAODF-UHFFFAOYSA-N	411.549	6.197	50	40	HKGB	
CC1(C)[C@@H]([C@@H](Br)[C@H](Br)c2ccccc2)CC[C@]1(C)C(=O)O	245239404	IPAYRHXWIXEEOF-VMUDFCTBSA-N	418.169	5.413	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)Sc1nc2ccccc2[nH]1	408598714	JENPFDBAWCCOBJ-JLHYYAGUSA-N	412.301	6.786	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408801591	UTVXDDCWFWGFHT-GXDHUFHOSA-N	419.706	5.437	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1ccccc1F	408878485	BEXMGCUESARBKU-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(Cc2cccc(F)c2)c1	408883996	WISFDFRDAVBSMH-HYARGMPZSA-N	414.480	5.588	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1	408959951	BARILGCCVPGAQH-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	409046276	JVBWYYWXKRJEAE-VGOFMYFVSA-N	407.272	5.713	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409060263	YYNOKNPHYTYGKU-MDWZMJQESA-N	409.700	5.981	50	40	HKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2cccc(F)c2)c1	409389812	CINFQZZWDYGIFA-JAIQZWGSSA-N	422.297	6.540	50	40	HKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1	3276074	WYIDGJBSKNKLDX-GXDHUFHOSA-N	406.835	6.202	50	40	HKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1nc(-c2cccc(Br)c2)cs1	3310609	KGIARGKYOVVDMR-DHDCSXOGSA-N	410.296	5.118	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1	4672221	GIADBCPITJPFOS-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/C2=Cc3ccccc3O[C@@H]2C)nc1-c1ccccc1	34982817	KPZFOEVDZBUCON-OOWUWCJESA-N	413.502	5.540	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	408874377	AQRMXHXTRUPJPL-QWMOIFKSSA-N	419.956	5.619	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2)c1	409375870	QEGMDZJLOGJDGY-NDENLUEZSA-N	405.885	5.015	50	40	HKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(OCc2ccccc2F)cc1	686597	KZNDVUJGLMDUAV-RUZDIDTESA-N	422.459	5.776	50	40	HKGB	
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=O)Nc2cccc(Cl)c2)c1[N+](=O)[O-]	1734882	WHWHZZCHEAPLPH-UHFFFAOYSA-N	407.810	5.373	50	40	HKGB	
O=P(c1ccccc1)(c1ccccc1)[C@H]1C=C(c2ccccc2)OC2=C1CCCC2	3145399	VVTBDRHOBMTAAL-MHZLTWQESA-N	412.469	6.269	50	40	HKGB	biogenic
Cc1cccc(C)c1OCCCOc1cccc(/C=N/NC(=O)Nc2ccccc2)c1	4548343	GUNFJHSVCJMHPW-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C(CC(C)(C)CC2=O)N1	19902847	OQJLMEILEJPRJE-XMMPIXPASA-N	416.496	5.532	50	40	HKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc1OC	33400030	QVMIPAQRYNZIEY-ZSOIEALJSA-N	412.287	5.105	50	40	HKGB	
C/C(=N\NC(=O)c1ccncc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917800	YFICRQYNZMTQFF-CDKRMOJJSA-N	408.505	5.062	50	40	HKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1OC	59473490	FHQBONXHBHDNEG-KOEQRZSOSA-N	420.534	5.150	50	40	HKGB	
Cc1cccc(C(=O)NN/C2=C(\C(=O)C(F)(F)F)CCCCCCCCCC2)c1	59488979	PJJBOEODOBFCCT-HNENSFHCSA-N	410.480	5.530	50	40	HKGB	
CCCCCCCCCCCCCC(=O)NNC(=S)Nc1ccccc1[N+](=O)[O-]	97995595	LFHIOWDCAXZMHH-UHFFFAOYSA-N	422.595	5.614	50	40	HKGB	
Cc1ccc(N[C@@H](c2ccc(O)cc2)P(=O)(c2ccccc2)c2ccccc2)cc1	100854561	XTIBPQGWBKFOOD-AREMUKBSSA-N	413.457	5.825	50	40	HKGB	
FS(F)(F)(F)(F)c1cccc(NC(=S)SCc2ccc(Cl)cc2)c1	103868606	DVAJVQZWVPKQDJ-UHFFFAOYSA-N	419.893	7.628	50	40	HKGB	
CCO/C(=C\[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104122142	YGECGQGJTIHKLN-NFFVHWSESA-N	410.497	5.748	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)c(Cl)c1	1468347	OEKZUGFKFIIXGG-LSHDLFTRSA-N	407.688	5.191	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1Cl	2768782	NGURXJWBCGCTMC-RNODOKPDSA-N	411.288	5.202	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	5569640	FCFOLDQXYJVMIL-FOKLQQMPSA-N	407.684	5.600	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccccc1F	6251836	XFSYPNVECFXHCW-ZRDIBKRKSA-N	401.224	5.938	50	40	HKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	35519079	BNQNDWKUXREEOO-QGOAFFKASA-N	424.422	6.634	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1	59224739	UKUYFNILNINZRU-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Cc2cc(C)cc(C)c2)c1	408872398	MPABGACSHUHZNN-BUVRLJJBSA-N	410.517	5.757	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1NC(=O)c1ccccc1	409212248	QJAOMIRVYPDUOQ-MOSHPQCFSA-N	420.310	5.316	50	40	HKGB	
CC(C)C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2n1C	504714415	VFBTYIVQBDXABB-SJLPKXTDSA-N	405.633	5.491	50	40	HKGB	biogenic
Cc1cc(/C=C(\C#N)C(=O)OCc2cc(-c3ccco3)on2)c(C)n1CCC(C)C	12859812	NLDCWTUIOGNEJV-YBFXNURJSA-N	407.470	5.049	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc2ccccc2c1	408549923	BQHJZDXNTNKBMD-HAHDFKILSA-N	422.459	6.061	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C)c(C)c2)c1C	408591784	VCTABNCGTRDSTG-VULFUBBASA-N	423.944	5.066	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1C	408793311	DWIBFYXFTJDWDJ-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)c1C	408882125	LIBIGDUNGPRVIS-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
Cc1ccc(C)c(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1	1801163	AKBOOFCIAWVBLN-HZPDHXFCSA-N	411.137	5.142	50	40	HKGB	
O=C(c1ccc(Cl)cc1Cl)[C@H](Br)Sc1ccc(Cl)cc1	8781833	FDMZHXNUTZKQDB-CQSZACIVSA-N	410.547	6.343	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	33764564	NLLUXRSRILWRFK-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)c1	59201262	LCIFZAAKBANDBE-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1Cl	107629879	INLGHOQTHITHON-HMAPJEAMSA-N	417.339	7.618	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c(C)c1	216039695	VIITVRJGNDCSII-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	408580660	QJIPGHSARYUCOM-MHWRWJLKSA-N	420.734	6.354	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	408743685	UHNLPTXAHBLOPC-ATVHPVEESA-N	410.304	5.947	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	408743947	CQPAYKLTTMVDOD-BOPFTXTBSA-N	423.875	5.441	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccncc1	408860835	GEXXBQGCAUMZMB-RPPGKUMJSA-N	423.303	5.155	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1C	409175884	DAXMIACFMNCVKU-RDRPBHBLSA-N	422.528	5.728	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC	409215839	BNZGHXZPLGAWNB-DHDCSXOGSA-N	417.259	5.219	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	1509015	BPFCDGAQRKEVSN-GXDHUFHOSA-N	416.786	6.164	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCC(=O)c1cc(C)c(C)cc1C	5694285	DFDKVNMJGNGIGU-FYJGNVAPSA-N	412.489	5.341	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1	6814216	XPLYWBYFDOKTFM-HAHDFKILSA-N	405.501	5.221	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1	20194310	XVCWWUCUNBWHED-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N/N=C2c3ccccc3-c3ccccc32)cc1	104044848	YXFQYPVWHAJEMU-WPWMEQJKSA-N	422.359	5.823	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1cccc(C(=O)O)c1	408846840	LESJVNFKSCJNAG-JAIQZWGSSA-N	419.864	5.690	50	40	HKGB	
CC(C)c1cc(/C=N/NC(=O)Nc2ccc(Br)cc2)cc(C(C)C)c1O	408848441	ZADGYBCZFSTMOI-SSDVNMTOSA-N	418.335	5.557	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc2ncccc2c1	408967496	SONWNKIHIPFRKU-STBIYBPSSA-N	418.500	5.559	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)c(C#N)c1C	409182431	MEFZDFGYAZDIMG-RWPZCVJISA-N	424.504	5.022	50	40	HKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(/C#N)c3cccc(F)c3)cc2Cl)cc1	409394020	UMGXFBWTZJULNB-OCKHKDLRSA-N	412.291	7.084	50	40	HKGB	
O=S(=O)(N[C@H](c1ccccc1)[C@@H](Cl)c1ccccc1)c1ccc(Cl)cc1	1066503	OHHMWQSOGNTQQA-VQTJNVASSA-N	406.334	5.340	50	40	HKGB	
COc1c(CCl)cc(-c2sc3ccccc3c(=O)c2CCl)cc1CCl	1589481	SCUIWZBARQMFQY-UHFFFAOYSA-N	413.753	6.154	50	40	HKGB	
Cc1cc(Cl)ccc1N[C@H](C)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	2099958	XKINLWQMERNBHT-VSWHYLHOSA-N	415.924	5.906	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)cc1	4784478	XYIYDFREZSHVDS-OOHHOYHOSA-N	410.901	5.643	50	40	HKGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)C1	5415826	FEDLFDYCDICBCJ-ZNMPCZAUSA-N	412.533	6.229	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1ccccc1	5921079	SHCCBEDIRCXWDJ-STZFKDTASA-N	409.489	5.913	50	40	HKGB	
C=CCSC1=C(C#N)[C@@H](c2sccc2C)C(C(=O)OCC)=C(c2ccccc2)N1	20348278	GEEIYDUDIHCHBW-GOSISDBHSA-N	422.575	5.372	50	40	HKGB	
C/C(=N\O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	102972876	KMBAZBGFHSLASV-SZXQPVLSSA-N	410.457	5.694	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21	208244110	GBNKVSLSMUYCHY-CIKBWMHTSA-N	411.908	5.747	50	40	HKGB	
CC(C)(C)[Si](C)(C)OCCC[C@@H](CO)N(Cc1ccccc1)Cc1ccccc1	215267153	ZOQBUEWQTGYMOU-DEOSSOPVSA-N	413.678	5.852	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)c(C)c1	216047117	ROCMIHBWHWCFMB-MIXAMLLLSA-N	422.528	5.728	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c3ccccc32)cc1	408745628	ULPWUQUIKFJLHS-JCMHNJIXSA-N	405.501	5.852	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408818535	VWCZGAWYEDWONV-QGOAFFKASA-N	402.881	5.912	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(Cc2cc(C)cc(C)c2)c1	408874626	CTGZIKLHRQLUQL-MFKUBSTISA-N	424.544	6.065	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=N/NC(=O)c2cccc(C(F)(F)F)c2)cc1	408963855	PSSTZASAVKDOAY-MZJWZYIUSA-N	412.411	5.357	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc2ccccc12	408998121	IBYGPCBPGBJHSJ-MIXAMLLLSA-N	417.512	6.164	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1Cl	409051498	DMLAYFSAHMPDIA-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1Cc1ccccc1	409229947	WDQLYLREOHCAFG-NDENLUEZSA-N	423.438	5.718	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c1C	409246121	FFVUSOXTBQKDNY-UQQQWYQISA-N	411.549	5.367	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)o2)cc1	1453951	CWNITLUDDPKYOX-GHRIWEEISA-N	420.852	5.322	50	40	HKGB	
Br[C@H](c1ccccc1)c1c2ccccc2c(-c2ccccc2)c2ccccc12	1593481	JDGWNXNEMZUIRI-HHHXNRCGSA-N	423.353	8.144	50	40	HKGB	
CC(C)(CCl)C(=O)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1	3104477	MCXWWOLKIWBHHA-UHFFFAOYSA-N	407.219	5.750	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(C(C)(C)C)c1O	6410799	PMADMORTUFGRQE-LFIBNONCSA-N	410.945	6.186	50	40	HKGB	
CC1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C(CCCC2=O)N1	19901808	ZGPWXBADQAXCSZ-QHCPKHFHSA-N	404.897	5.410	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1	59282275	QQNPRUIYUMLTSG-HMMYKYKNSA-N	416.452	5.349	50	40	HKGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1	226336266	SRAAAIMUGWQYQB-QPJJXVBHSA-N	416.098	5.469	50	40	HKGB	
Cc1cccc(COc2ccc3ccccc3c2/C=C(\C#N)C(=O)Nc2ccccc2)c1	408805050	CSVDZDGFBOGURF-HAVVHWLPSA-N	418.496	6.273	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c3ccccc32)c1	408812541	NDEIHADHPGXNPK-UXFKARAUSA-N	411.549	5.600	50	40	HKGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3ccc4ccccc4c3)c2)cc1	408880787	IVGLNBPNYRUBJQ-WPWMEQJKSA-N	408.457	5.131	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3C#N)cc2)cc1	408885548	BTIIMHQVVALLSN-XDHOZWIPSA-N	424.416	5.113	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3CC)c2C)cc1	409187235	NUPRNTBYGUPOSR-XYGWBWBKSA-N	404.514	5.211	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccccc1	1436480	CHQGYINRQDFVIB-HXUWFJFHSA-N	409.411	5.010	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(OC)c(OC)c2)nc1-c1ccccc1	4937064	VTVPWZUYSJGPKH-SFQUDFHCSA-N	419.506	5.240	50	40	HKGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccccc1/N=C\c1ccc2c(c1)CCC2	17861159	WDIHVDGOWYHGCW-GQGQITAGSA-N	407.517	5.179	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc(C(=O)O)cc1	33772096	SADCZGRRQQXZBL-UNOMPAQXSA-N	403.409	5.176	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OC(C)C	59117441	UACHNPIYESFMHQ-OQLLNIDSSA-N	419.308	5.725	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](B(O)O)CC[C@]4(C)[C@@H]3CC[C@@]12C	263600014	JOCMCCBKCLSCSH-GWNZPOIFSA-N	414.483	6.871	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1nc2ccc(F)cc2[nH]1	408569280	MSFZXBVMJFNDBO-GHXNOFRVSA-N	407.788	5.378	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1	408752013	BGDWUXBFTYEGAH-MOSHPQCFSA-N	403.913	5.856	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	408768773	JFAATWUNIVHGCR-WJDWOHSUSA-N	420.852	5.406	50	40	HKGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	409196537	PATGXNFRYAASHU-JVWAILMASA-N	423.541	5.597	50	40	HKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3089707	DKPOXBPYRKVMSN-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
Cc1cc(C(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)c(C)n1-c1ccccc1	3288038	NMGQNJFLSRRKDE-OVVQPSECSA-N	409.489	5.650	50	40	HKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1c2ccccc2cc2ccccc12	4499569	DNEBRPWDGHHAPC-RWPZCVJISA-N	406.407	5.705	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(F)c1	6145602	VQAREYDSHPTIAE-GRSHGNNSSA-N	404.397	5.386	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(Cl)c3)cc2)cc1	6372984	SYLWONDZRVVEDG-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)CC2(C)SCCS2)c2ccccc21	6968839	SRRRXNNYBGXKPO-ZVHZXABRSA-N	423.607	5.034	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C)n1-c1ccccc1Cl	12618651	KKPORQJKZSNTMV-DEDYPNTBSA-N	415.949	6.935	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc21	223481203	IMGAKKZOFXEDKK-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
O=C(c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(Cl)Cl	226795730	CZVOPVWIKKGPDT-UHFFFAOYSA-N	401.289	5.831	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1	408777526	BIZXAQTWQIZPLY-BOPFTXTBSA-N	410.304	5.947	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c1C	408798716	WRTSVKVWXUQOIM-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408801927	WUOSNVCHLPYARR-CJLVFECKSA-N	412.489	5.598	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3ccc(Cl)cc3)o2)cc1	2669498	BCDKJLFUOCJODM-HMMYKYKNSA-N	405.881	6.621	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	6183078	SHALNQCZVAQLGZ-MCIDSYJDSA-N	418.500	5.324	50	40	HKGB	
O=C(N/N=C1/CCc2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	33497117	VRDZKDKDMJTOGN-NFFVHWSESA-N	411.892	5.636	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccccc1Cl	59334882	GQPUBBQXGYLRCF-MOSHPQCFSA-N	424.928	5.041	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473645	PKHMCJNBFCNZCL-PCLIKHOPSA-N	404.535	5.530	50	40	HKGB	
Cc1cccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCCCC2)c1	225539527	QYHGXAIGOZNIGI-UHFFFAOYSA-N	416.359	5.609	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1	408873517	VEJZQYTYBSXPNH-KGENOOAVSA-N	418.899	6.178	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	867492	VMBCVROZDCOUQY-RVDMUPIBSA-N	411.288	6.416	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1	2158629	BWRRFKYCLQXHDV-QHCPKHFHSA-N	408.611	6.553	50	40	HKGB	
CCCCOc1cccc(N/C=C(/C#N)c2nc(-c3ccc(OCC)cc3)cs2)c1	100839878	RIGROQTVVKXGLB-MNDPQUGUSA-N	419.550	6.364	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1Br	408582214	MLBTVYGQTFVHCI-MHWRWJLKSA-N	402.288	5.319	50	40	HKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OC	659692	SHICSBQULWWMSE-DHRITJCHSA-N	422.868	5.411	50	40	HKGB	
CC1(C)CC(=C(C#N)C#N)c2cc(C(=O)c3cc(Cl)cc(Cl)c3O)ccc2C1	2626381	MKHQVNSXZMBVAC-UHFFFAOYSA-N	411.288	5.703	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C	3115331	LWHJYGUOKIDYNF-VULFUBBASA-N	410.558	5.133	50	40	HKGB	
CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	4805848	MAHMJBNRSZXUQK-QGOAFFKASA-N	413.502	6.016	50	40	HKGB	
COc1ccc(/C=C(/C#N)c2nc3c(s2)CCCC3)cc1OCc1ccccc1	13381967	SREKKEOZGAYSJH-UYRXBGFRSA-N	402.519	5.674	50	40	HKGB	
CC(C)C(/C=C\c1ccccc1)=N/NC(=O)N/N=C(/C=C\c1ccccc1)C(C)C	31851581	JXISIGLCWYMVKD-RPQPAWHASA-N	402.542	5.736	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(C)=O)c3)n2)cc1OC	100860110	KZOGKLYVXJNOTF-SFQUDFHCSA-N	405.479	5.006	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1-n1cccc1)[C@@H](C)CC(C)(C)N2C	208210986	IFXJBKORXNMHGE-VEMGOHLESA-N	414.553	5.272	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223593392	WJKMGZVLOCMGIX-CMPFEXHJSA-N	407.558	5.268	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc2ccccc2c1	408598636	GUFBQURWDDNNGP-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	408867204	JKQSDHAWHKSXOF-NTEUORMPSA-N	406.791	5.469	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)c1C	408961997	WTCVQIZSSNXEEE-IWIPYMOSSA-N	411.549	6.127	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cccc(Oc4ccccc4)c3)cc2c1	409187669	SYHHIDPPTIPHER-XYGWBWBKSA-N	400.434	5.388	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)Cc3ccc(F)cc3)c2C)cc1	409246447	IMQSGKYUVWYLEO-PKAZHMFMSA-N	405.517	5.269	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)cc1	954225	AGSVWLIQAJLLSH-GZTJUZNOSA-N	423.925	5.332	50	40	HKGB	
CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	9353340	PGENTQYBIIIBDU-SFQUDFHCSA-N	424.367	6.673	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3C)c2C)c1	28215826	BKOHYKMMUQJUEX-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1Cl	59117215	SZJVPHCGJILHAI-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
FC(F)(F)c1cccc(P(c2ccccc2)c2ccccc2)c1Br	96171599	CESQOMLFGLOSNR-UHFFFAOYSA-N	409.185	5.226	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1	96398838	OGYRYGQTFAFARC-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)[nH]c2cc1C	98086614	UFMNICTURCQKBN-BKUYFWCQSA-N	423.472	5.521	50	40	HKGB	
CC(C)c1ccc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)cc1	104081104	YIQWOHBVPXOAHK-XMMPIXPASA-N	414.574	7.013	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2[C@H](C)CC1(C)C	208310011	VREGLMFNVXGWEE-UWCCDQBKSA-N	407.945	5.998	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(Br)cc1	408534135	UXPJJWRRQRUVLT-GDNBJRDFSA-N	419.116	5.841	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccc(Cl)cc1	408579589	IGMTWJZMOLYACK-WOJGMQOQSA-N	414.719	7.290	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br	408759504	GFNUOCJNDBAHGH-SFQUDFHCSA-N	421.294	5.547	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1cc2ccccc2o1	408844010	HWXXIGWIYWWBDC-QFEZKATASA-N	404.853	5.429	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)cc1	408876975	SDEMKMFSZUCKKE-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
N#C/C(=C\c1ccccc1OC(=O)c1cccc2ccccc12)C(=O)Nc1ccccc1	408887680	SJRCGCAQUOPOFW-HEHNFIMWSA-N	418.452	5.605	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc2ccccc2c1	408890392	SKIWZLRCPYKIQN-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(F)cc1	1188992	LWWMZOYZXQOWSB-FMIVXFBMSA-N	401.224	5.938	50	40	HKGB	
Cc1onc(-c2ccccc2)c1NC(=O)P(=O)(c1ccccc1)c1ccccc1	2577621	XYYVQWVXWUADQO-UHFFFAOYSA-N	402.390	5.196	50	40	HKGB	
O=C(N/N=C/c1sc(Nc2ccccc2)nc1Cl)c1cc2ccccc2cc1O	2630319	QNINDZWHVFQMKT-FSJBWODESA-N	422.897	5.163	50	40	HKGB	
O=C(CCl)Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1	3445816	GKRUPPNCKGJTEE-UHFFFAOYSA-N	408.601	5.438	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	20243960	UJKPZDNTILFKGV-WPWMEQJKSA-N	416.590	6.181	50	40	HKGB	
O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(CSc2ccccc2)cc1	59473143	KRKQGRWBZMAURS-ZMOGYAJESA-N	415.345	6.050	50	40	HKGB	
COc1cccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)c1	100373570	PGDGVPXHNYAUAP-KAMYIIQDSA-N	412.312	5.558	50	40	HKGB	
CCCCCCCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1	104168319	SLDFPRRZACGVSW-UHFFFAOYSA-N	416.433	6.197	50	40	HKGB	
C1CCC(O[Si](OC2CCCCC2)(OC2CCCCC2)OC2CCCCC2)CC1	195766180	KKZOJPJHWKWAID-UHFFFAOYSA-N	424.698	6.819	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2C(C)=CC1(C)C	208515930	FPVUUWALIHKXHW-ODLFYWEKSA-N	419.956	6.216	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1cc(C)cc(C)c1	408872109	KMVAZKWIYHRMFN-AFUMVMLFSA-N	424.544	6.065	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1cccc(F)c1	409393570	QRUMPWRTMMNSCS-QNGOZBTKSA-N	424.431	6.530	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccsc1	705631	XNPZZNHPVNJQSF-SFHVURJKSA-N	415.440	5.072	50	40	HKGB	
Cc1ccc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc12	900733	PPRMINOADWTAHM-LJQANCHMSA-N	412.880	5.271	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)NC1CCCCC1	1105570	MTLPCQLXAJQZEL-XMHGGMMESA-N	401.485	5.185	50	40	HKGB	
Cc1cccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c1C	1739466	CXIMUDDYVZORRS-JKSUJKDBSA-N	411.137	5.142	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1C	3088710	NHMOCXAEROQCTE-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)cc1	4922863	QCEQTPUJSGTXPO-FQEVSTJZSA-N	403.551	5.031	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1[N+](=O)[O-]	6144157	IALXVNCBMWXPRJ-XMHGGMMESA-N	422.444	5.143	50	40	HKGB	
N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1ccccc1F	35147772	XJIXWXOMFBDOGC-HKWRFOASSA-N	424.431	6.530	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)cc1C	59104844	SQKULQIKKQFTBI-WQRHYEAKSA-N	400.434	5.116	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(C)c1	59335651	DMTMQCREPXTGLY-UQQQWYQISA-N	422.528	6.157	50	40	HKGB	
CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](c1ccccc1)C2	74941540	HPIWSYWEXSCXFO-CJNGLKHVSA-N	403.345	5.004	50	40	HKGB	
N#CC1=C(SCC(=O)Nc2ccccc2F)N=C2CCCC(O)=C2[C@@H]1c1ccco1	100703279	ZSVWNRSJPABBEO-FQEVSTJZSA-N	423.469	5.060	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3cc(Cl)ccc3o1)[C@H](C)CC(C)(C)N2C	208209826	QDZYRKQLCZBYPV-PBEVGHANSA-N	423.944	5.881	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C)[C@@H](C)CC(C)(C)N2C	208233364	ZXHIWUGTROARFF-YLRSXTQRSA-N	421.972	6.225	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)cc1OC	408583639	VZEKGNLKOQNUCG-BUVRLJJBSA-N	421.496	6.500	50	40	HKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408820807	YXOKLRRCUNHPLK-TYSUYXETSA-N	418.924	5.894	50	40	HKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccccc1F	408867674	LFNVSWYFZKSHKD-LTGZKZEYSA-N	424.450	6.254	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(O)cc1	408935888	IQMBENPCRJWCRD-PDGQHHTCSA-N	404.853	5.170	50	40	HKGB	
COc1cc(C)c(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	2177715	QDMAWJUWLQEZAY-VXHUXDJESA-N	423.340	5.351	50	40	HKGB	
CC(/C=C/c1ccccc1)=N/NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	4416180	XPFOLPDRIZDGLB-VQTIZZBGSA-N	406.570	5.985	50	40	HKGB	
Cc1cccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)c1C	4676163	DGKABLGVYJGLFB-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
CC(/C=N/NC(=O)c1ccc(Cn2nc(C)cc2C)cc1)=C\c1ccc(C(C)C)cc1	6189192	RGWQHXSMFMMSHZ-IAHFHSLBSA-N	414.553	5.491	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccccc1	16408768	FYJZOWABXCEBHS-XSFVSMFZSA-N	416.452	5.349	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c1	28217416	FNLHUCUIAYPXJP-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)nc2c1	50862311	FHCFGQMUCQXXMO-NTEUORMPSA-N	404.813	5.757	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccc(Br)cc1	59515745	ISNZXRJPRRFJOT-UHFFFAOYSA-N	422.367	5.165	50	40	HKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1ccccc1F	107850391	WYWATQYZSPAQGL-LGMDPLHJSA-N	413.427	5.622	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)c1	408935090	GNHZJUOALBKRCM-MTJSOVHGSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccc(F)cc2)cc1Cl	408993234	VUNFWBLSPCKTBN-UNOMPAQXSA-N	420.871	5.912	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1	954237	NJQMVCBHQAVCHG-YBFXNURJSA-N	405.498	5.542	50	40	HKGB	
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)C[C@@H](Cl)c3ccccc3)c2)cc1	977261	FAYZRUOGKKDHLY-OAQYLSRUSA-N	413.926	5.001	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	5744871	IFSBFYQJHSQBNW-RVDMUPIBSA-N	411.288	6.416	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1-n1cccc1	59513549	LCTAGKSWPRRPJX-AFUMVMLFSA-N	424.287	5.808	50	40	HKGB	
CC(C)/N=C1/CCC[C@H]1C(=S)SSC(=S)[C@H]1CCC/C1=N\C(C)C	102855655	SNLSXBAIXLUAAE-PHHKCOFPSA-N	400.704	6.322	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1nc2ccc(F)cc2[nH]1	408568477	JOSRUEDVRATIQI-GHXNOFRVSA-N	407.788	5.378	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)o2)c([N+](=O)[O-])c1	408881369	KWJYWNXWKJMRQB-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(F)c1	408994397	ZLLDRCJIJJODNU-UYRXBGFRSA-N	420.871	5.912	50	40	HKGB	
O=C(CCCCCBr)c1ccc(Br)cc1C(F)(F)F	575362520	SRPDGGUUGCXTPG-UHFFFAOYSA-N	402.048	5.606	50	40	HKGB	
ClCCCN(CCCCl)c1ccc(/C=N/c2cccc(Cl)c2)c(Cl)c1	1872992	LFPNKFMKDGCYGO-ZVHZXABRSA-N	418.195	6.808	50	40	HKGB	
COc1ccccc1/C=N/NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	4950163	BJSQFKYPXQMQNQ-WGOQTCKBSA-N	410.558	5.079	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccs1	5582352	OZOBVICZWWEVQB-SSDVNMTOSA-N	405.306	5.398	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1	6351079	KEMOPNMUGYZGRM-NDENLUEZSA-N	418.424	5.776	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(Cl)cc1	59333724	OFYVVTCEJKTTBV-MOSHPQCFSA-N	424.928	5.041	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)cc1OCC	59473774	WOAWGLIDQBMMPK-QKIXXSFTSA-N	420.962	5.158	50	40	HKGB	
CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2cccc(Oc3ccccc3)c2)cc1	59515259	YHKRBXLGFMOEFB-YZSQISJMSA-N	415.493	5.227	50	40	HKGB	
FC(F)(F)c1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1	100638256	BLYNKIJSTVSOQQ-UHFFFAOYSA-N	421.422	6.200	50	40	HKGB	
O=C(Nc1ccc(NC(=O)c2ccc(CCl)cc2)cc1)c1ccc(CCl)cc1	101434239	SBUVHKHRCAKDLK-UHFFFAOYSA-N	413.304	5.669	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1Cl	408538550	OPXBXPSDOTVLBE-SFQUDFHCSA-N	417.336	6.498	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1C	408968738	YMDAYNMOQVMSBL-YUMHPJSZSA-N	416.569	6.164	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1Cl	409051883	NYYKSAUGOMMNPM-OPEKNORGSA-N	406.791	5.691	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3c(F)cccc3Cl)cc2)NC(=O)N1	409373505	UXXLMPZRBNZIMV-IBGZPJMESA-N	413.880	5.236	50	40	HKGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	875674	VZBGWRWFXZBLEO-RCCKNPSSSA-N	422.513	5.553	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1	942031	GWIFYFQPPZFEFC-QGOAFFKASA-N	416.864	5.125	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(C)c1	1096166	NUYRXGUNYUECKK-ULHYFDKDSA-N	418.537	5.185	50	40	HKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc5c(c4)OCO5)cs3)c2n1	1774853	DTWZDRIKKCACNT-GZTJUZNOSA-N	412.474	5.372	50	40	HKGB	
O=C(N/N=C/c1ccc2c(c1)CCC2)c1ccc(/N=C/c2ccc3c(c2)CCC3)cc1	2163923	RTABLUCXUILMBO-POAOKBCDSA-N	407.517	5.179	50	40	HKGB	
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@H](Cl)c1ccccc1	5853018	SOJGZAYPCFPSDS-ZEQKJWHPSA-N	403.953	6.488	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccc(F)cc2)cc1	18272207	XJILWAANHUXHHN-SRZZPIQSSA-N	422.463	5.413	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4C)c3C)[nH]c2c1	50861551	KBAGNHLIDNPZRC-UNOMPAQXSA-N	400.913	6.305	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(Cl)c1O	59336431	WRMHHBAXQKKQRG-WDZFZDKYSA-N	411.672	5.297	50	40	HKGB	
O=C(OC(=O)[C@@H](c1ccccc1)C1CCCCC1)[C@@H](c1ccccc1)C1CCCCC1	100473289	YYVKJPVHYXQDTL-UIOOFZCWSA-N	418.577	6.784	50	40	HKGB	
C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)c1ccc(Cl)c(Cl)c1	101158357	SMDZUKUZGIXOBL-ZMOGYAJESA-N	406.313	5.251	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21	223486817	MDBPGMOAESUYDH-UNOMPAQXSA-N	419.956	6.296	50	40	HKGB	
COc1ccc(N2Cc3ccc(C(=O)N/N=C\c4cccc5ccccc45)cc3C2)cc1	408734234	JUKWZWAKHULEDK-NTFVMDSBSA-N	421.500	5.133	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1F	408744291	KFEOVXMFWYAGQI-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408745546	NRVZXGQASUULDV-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCCC	409076072	XKJDQQMFCAVVNS-XMHGGMMESA-N	424.928	5.802	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	409392651	RAHBRMYYHXKSGX-TURZUDJPSA-N	408.501	5.521	50	40	HKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)[C@H]1CC1(c1ccccc1)c1ccccc1	13305495	ABDNXIGDXVBXKD-IVRBHCBNSA-N	406.485	5.002	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)c(C)c1	20194762	WBNSSOOXTRHGDE-OGLMXYFKSA-N	409.533	5.557	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OCC	35202236	QUTZCACPJRHJOP-NVNXTCNLSA-N	417.259	5.219	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(F)c1	59224962	FZNXPZGXGXKCSJ-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	59433654	QKZYJCLXJCWOEQ-RVDMUPIBSA-N	421.840	5.616	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc(Cl)c1	59501736	ZDJYAZJSXMPONH-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CC1=C(/C=C\C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(/C)C=O)C(C)(C)CCC1	62234643	DFMMVLFMMAQXHZ-AXOCECLVSA-N	416.649	8.722	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2[C@H](C)CC1(C)C	208303833	IWXIKXVWLWKXOH-AZFHEMCLSA-N	413.565	5.645	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccc(Br)cc1	408743519	GJIBKMMCCQRFSX-SSZFMOIBSA-N	421.294	5.547	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(Br)cc1	408859089	SOIKGJVOHIPASN-LCYFTJDESA-N	422.120	5.469	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1cccc(Cl)c1	408880561	KLWOHTZSDPLFEK-VULFUBBASA-N	403.869	5.164	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccc(C#N)cc1	409370691	DFMOQNQBWHAPJS-HZHRSRAPSA-N	420.899	7.008	50	40	HKGB	
CCCCSC1=C(C#N)[C@@H](c2ccccc2Cl)C(C#N)=C(c2ccccc2)N1	2310527	OOFJGYDVGZOPHI-NRFANRHFSA-N	405.954	6.230	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)NC3=C2C(=O)CCC3)cc1	2341531	DHNCHKQNSQEQBQ-QFIPXVFZSA-N	420.965	6.011	50	40	HKGB	
CCOP(=O)(OCC)C(C#N)=C1SCN(c2ccc(Cl)cc2)CS1	2351055	ZALVDCZZODGNLH-UHFFFAOYSA-N	404.881	5.500	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Br)cc3)o2)cc1Cl	3206728	XVFQPGQFIXTNFZ-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
CCCCCC(O)(CCCCC)C(=O)NN(C(=O)c1ccco1)c1ccc(C)cc1	4553012	MDDFNHOVGOXJNA-UHFFFAOYSA-N	414.546	5.158	50	40	HKGB	
O=C(N/N=C/c1ccc(F)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	12957367	SDOXCCWIXLROLL-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1Cl	28287346	NWFCWNMKTDFRIG-FMIVXFBMSA-N	417.679	6.452	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1)c1ccccc1	59245235	QHSFYGLWAFTSRX-GFHXCNCHSA-N	400.453	5.189	50	40	HKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	59473752	LVPWNVCDUZKXIQ-SCELWYEFSA-N	424.953	5.550	50	40	HKGB	
CCc1oc2ccccc2c1/C=C(\C#N)c1nc(O)c2cc(Br)ccc2n1	96305466	KVSLOISRUAUAFS-FMIVXFBMSA-N	420.266	5.471	50	40	HKGB	
CC(C)[Si](OCC/C=C/[C@@H]1CCC(=O)[C@@H]1[C@H](O)C1CCCCC1)(C(C)C)C(C)C	195772785	AIFDEPAJGQREQC-CWBKIBHBSA-N	422.726	6.661	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	408744440	FRGORCINQWYWCZ-PDGQHHTCSA-N	420.553	5.932	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	409065061	GYTGLCSONSLCSR-LDADJPATSA-N	408.885	5.188	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(F)c4)c3C)cc2c1	409186759	HOHOVYVOOPRALQ-WGARJPEWSA-N	419.456	5.142	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)c1	2262305	XIIGIGBPEUMNFH-DHRITJCHSA-N	410.901	5.561	50	40	HKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	4135171	XZSVUNMZRGEENB-XFXZXTDPSA-N	404.297	6.541	50	40	HKGB	
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)CCl)CCCCC1	4613925	DLYSUPDXAHZLDY-UHFFFAOYSA-N	412.961	5.212	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc2ccccc12	6496609	IKIBPLHAPGOPAU-ATVHPVEESA-N	400.821	6.726	50	40	HKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C/c4c(Cl)cccc4Cl)[nH]c(=O)c23)C1	9443377	KQSZTQYKTQBFMX-NGPGYTDTSA-N	416.333	5.480	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	28217499	MDNHXGQQIBKIPD-FSJBWODESA-N	401.297	5.557	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	58823172	LYVWLCQPUIAEQF-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1O[C@@H](C)CC	408567005	CDKPFCBZHCKZDC-PBTLCFMXSA-N	413.880	5.996	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C)nn2-c2ccc(C)cc2)cc1	408723898	ABNJIYFVDNZUHE-WPWMEQJKSA-N	408.505	5.228	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)c(Cl)c1)C(=O)Nc1ccccc1	408794504	JKXLZPKKDFDSIX-UDWIEESQSA-N	413.864	5.336	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1ccccc1Cl	408867654	LRGQOXAXIXJTCU-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)ccc1Br	408904466	JXEKFRHDGIUJOJ-UWVJOHFNSA-N	401.091	5.220	50	40	HKGB	
N#C/C(=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc12)c1cccc(F)c1	409389078	AHRNTGFADPPUNH-QNGOZBTKSA-N	424.431	6.530	50	40	HKGB	
CC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1	1082074	VPAXLOXNUMKTBK-OPAMFIHVSA-N	419.868	5.133	50	40	HKGB	
CCCCN(CCCC)NC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	1870095	LJSWUHCGXUGIMV-UHFFFAOYSA-N	423.384	5.163	50	40	HKGB	
C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	4713558	XVBLKXKJUOMOSZ-AGAQWUFHSA-N	422.956	5.688	50	40	HKGB	
CCOc1ccc([C@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	6355289	KJDKTPNNQKHWQD-JOCHJYFZSA-N	414.530	5.511	50	40	HKGB	
N#C/C(=C\c1ccc([C@H]2C[C@H]2c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	12080480	AGEDWEAXZSVYNK-AIEADPQKSA-N	423.299	6.403	50	40	HKGB	
COc1cccc(/C=N/NC(=O)c2occc2C)c1OCc1cccc2ccccc12	94992827	HTFXITPOIJKOPY-CVKSISIWSA-N	414.461	5.093	50	40	HKGB	
O=P1(Cl)N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1	100359390	JLJPNMVKWKBOOC-UHFFFAOYSA-N	403.677	6.048	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223555920	HVMLNAVDHRNIJJ-UOIFGXKSSA-N	401.554	6.041	50	40	HKGB	
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1	226336606	RHLZZHKHEILICN-HWKANZROSA-N	406.092	6.013	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc4ccccc4c3)c3ccccc32)cc1	408599240	QNWHTHIYASIGQM-STBIYBPSSA-N	417.512	5.915	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Br	408740932	FEKUVASHOHYOJY-ZROIWOOFSA-N	417.690	5.213	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(F)cc1	408853052	PLLUYFQVCNTWGB-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
CC(=O)N/N=C/c1cc(Cl)c(OCCOc2cc(C)ccc2C(C)C)c(Cl)c1	4575306	PDPJSLKLIOWKGJ-WYMPLXKRSA-N	423.340	5.353	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)c(C)n1-c1ccccc1	17167045	QTTSMPMDQFMRSD-YUMHPJSZSA-N	407.473	5.757	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)cc1	59224646	QIEDRBDUFCCBJF-HKWRFOASSA-N	416.452	5.349	50	40	HKGB	
O=C(NN=C1CCCCCCC1)c1ccc(CSc2ccc(Cl)cc2)cc1	59436937	HIFIJJAYNQTZTF-UHFFFAOYSA-N	400.975	6.462	50	40	HKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C2CCCC(O)=C2[C@H]1c1ccco1	100706475	QLXWYRLDYYQFNJ-HXUWFJFHSA-N	423.469	5.060	50	40	HKGB	
COc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1	408598505	BSRVIAQMBOKXEN-XNTDXEJSSA-N	418.434	5.396	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)NCc3ccco3)cc2)c(C)c1	408735076	NPHIPVIOYPAPEL-FYJGNVAPSA-N	400.478	5.007	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)c1	408764049	ICRXJJVLCUSYGZ-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(C)c1	408768009	RUIXKWISKMPTQQ-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C	408813769	RFDOVWKKTRVPIK-NBVRZTHBSA-N	404.897	6.136	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(OCc2ccc(F)cc2)c(C)c1	408844250	HMUHOSZSSXFHOD-HYARGMPZSA-N	414.480	5.876	50	40	HKGB	
COc1ccc(N[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)cc1	1744060	UXEZVBCVSICRIX-XMMPIXPASA-N	403.418	5.413	50	40	HKGB	
CCc1ccccc1NC(=O)[C@@H](Br)[C@@H](Br)c1ccccc1	1801173	HHRGOUXDRDTFTC-HOTGVXAUSA-N	411.137	5.087	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl	4711024	FIKSJWINNXQGOQ-WOJGMQOQSA-N	405.885	5.307	50	40	HKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)N(CCCl)N=O)CC[C@]34C)[C@@H]1CCC2=O	118929203	FULFKXIGCUQZJE-YTROQARVSA-N	424.969	5.326	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)cc1	208311473	PLRMIKKWAYTTMT-SBGXLDQMSA-N	401.554	5.907	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)c3ccc(C)cc3)cc2Br)cc1	209403923	JQDLQMOSOMWAKZ-LPYMAVHISA-N	418.334	6.709	50	40	HKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1OCC	408542232	KAACUZYWYBXYAC-SXGWCWSVSA-N	416.271	5.009	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1	408800870	RPGPHAJVPCMNTM-RGHBXIHOSA-N	411.288	6.038	50	40	HKGB	
CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408855639	FJCFAAMJZOTCSF-FBHDLOMBSA-N	421.678	5.011	50	40	HKGB	
CC/C(Cc1ccccc1)=N\NC(=O)COc1ccc(C(C)(C)c2ccccc2)cc1	408950059	GHZXGIOQHHGTDA-ZZIIXHQDSA-N	414.549	5.516	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408966442	LSHYCXLKKCPCLU-MFKUBSTISA-N	418.497	5.064	50	40	HKGB	
N#CC1=C(SCCOc2ccccc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409334355	LABZLLCBCRWIAN-OAHLLOKOSA-N	419.333	5.144	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1cccc(F)c1	409393930	TVRHFLHFECWLAF-GHXNOFRVSA-N	403.196	6.365	50	40	HKGB	
N#C/C(=C\c1ccc(-n2cc(C=O)c3ccccc32)cc1)c1c(Cl)cccc1Cl	2384378	DRTJCAGGNCRRFP-SFQUDFHCSA-N	417.295	6.814	50	40	HKGB	
CC(C)(C)[C@@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC(F)F)[C@H]2C1	8442017	CLQYRTAHHQWRTA-CFLQYTFWSA-N	422.479	5.154	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1ccc2ccccc2c1	9330678	VYZYARIYKJBPCE-DHRITJCHSA-N	423.303	5.691	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccccc1Cl	59117254	LFJWCQFRKOSZKR-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)c1ccccc1F	107721773	DGNUGOBOBMPNAE-XFFZJAGNSA-N	403.196	6.365	50	40	HKGB	
CC(C)(C)[Si](C)(C)OCCC[C@H](CO)N(Cc1ccccc1)Cc1ccccc1	196114740	ZOQBUEWQTGYMOU-XMMPIXPASA-N	413.678	5.852	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1	408579184	DIKGHBDAYKOZGT-BUVRLJJBSA-N	409.916	7.445	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Cl	408598545	CUJHDYGNJUBRKS-SFQUDFHCSA-N	404.926	6.281	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	408599230	QHOMHIWGDYMFGK-ODLFYWEKSA-N	420.852	5.900	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccccc1Cl	408788177	BQHQMYQLNKWYFN-DEDYPNTBSA-N	413.864	5.336	50	40	HKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408788342	CHIXNKQNAZFVGO-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)c1	408789630	NGRVRKLZXKJALO-ATVHPVEESA-N	417.421	5.188	50	40	HKGB	
Cc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408964233	CHZODFUNPUXNMM-QQXSKIMKSA-N	402.542	5.856	50	40	HKGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1	2578590	ACJDQNLZVSLKPU-RMORIDSASA-N	422.454	5.150	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc2cc(Cl)ccc2o1	4545319	XGCAAVTVDGLHLP-AFUMVMLFSA-N	404.853	5.429	50	40	HKGB	
O=C(N/N=C\c1cc(/N=N/c2cccc3ccccc23)ccc1O)c1ccc(F)cc1	4814023	MLVKVMHJOIHJTF-BBTJEBRRSA-N	412.424	5.864	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)cc1C	4922928	VGDDWUHOPWKPEO-SFHVURJKSA-N	409.942	5.176	50	40	HKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1C	7780346	LWMDATBSXPRRJH-WOJGMQOQSA-N	404.341	5.387	50	40	HKGB	
CCCSC1=C(C#N)[C@H](c2ccccc2)C(C(=O)Nc2ccccc2OC)=C(C)N1	19901073	KQNOOXFUAXNWLS-QFIPXVFZSA-N	419.550	5.173	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	20764566	VKCGGDXXXYZPCV-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1nc(COc2ccc(/C=C(\C#N)C(=O)c3c(C)[nH]c4ccccc34)cc2)cs1	21642412	GCRGKXRFRYCMRN-WOJGMQOQSA-N	413.502	5.610	50	40	HKGB	
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)c1	95346045	JEDRZCTUEJEVNX-GZTJUZNOSA-N	424.367	6.474	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c(OC)c2)cc1	209987593	BABFQLIDCVUDAZ-JCMHNJIXSA-N	412.489	5.382	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1OC	408579524	HIQIUGHYZWBUJO-CIAFOILYSA-N	419.908	6.309	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1	408756933	VJRBXRZVKYEECJ-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1	408784123	SZAMDFUOSQEKDH-SXGWCWSVSA-N	412.276	6.373	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	408797457	RQTPYHXPUCGEHZ-WOJGMQOQSA-N	410.901	5.466	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(OCc2ccccc2)c1	408805708	CEGYKWSOZOEGFV-XDHOZWIPSA-N	418.880	5.473	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1Cl)c1cc2ccccc2o1	408817435	XRLLDQXHUYFRCN-QFEZKATASA-N	404.853	5.429	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2cccn2-c2cccc(Br)c2)c1C	409015619	SSUUMTPSUMDHKN-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
Cc1cccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1C	1739463	CXIMUDDYVZORRS-CVEARBPZSA-N	411.137	5.142	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3c(F)cccc3Cl)c3ccccc3n2)cc1	2089634	FFKLFHWVHHVMDE-MZJWZYIUSA-N	417.871	5.767	50	40	HKGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C	3036146	IBFSQLOAJYSXJU-RPPGKUMJSA-N	416.399	5.111	50	40	HKGB	
CC(=O)N(/N=C(\C)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1	5274498	NLBBFKJCHUPVBD-LPYMAVHISA-N	414.328	5.350	50	40	HKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1cccc(Br)c1	5515419	OFMXVSRDTCJHJC-DQAKUKQTSA-N	411.752	5.124	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)CC3(C)SCCS3)c3ccccc32)cc1	6966037	RQKMMYURAFNRCH-ZVHZXABRSA-N	423.607	5.034	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(C(F)(F)F)c1	17088354	SSKPVBRFHYMSKZ-OQLLNIDSSA-N	409.791	5.408	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	20197425	PPAVOCUMDWJYPI-VULFUBBASA-N	416.399	5.518	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)cc1	39884458	PITGXPBDMWYHCB-GHRIWEEISA-N	401.422	5.271	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1cccc(C(F)(F)F)c1	59137569	KRBYVMYOTHIMKN-PDGQHHTCSA-N	415.459	5.469	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3cccc([N+](=O)[O-])c3)o2)c(Br)c1	107543442	LMELZNWQABPCHM-RVDMUPIBSA-N	409.239	5.990	50	40	HKGB	
COc1cc(C(=O)Cl)cc(Br)c1OC(=O)c1cccc2ccccc12	226364713	TWYGFFCGLJLEKD-UHFFFAOYSA-N	419.658	5.209	50	40	HKGB	
CC(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1	408728127	HYXFLIBLWFOWPK-VYYCAZPPSA-N	417.940	5.748	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C	408747498	OUCHZKOZPTVGOC-MTJSOVHGSA-N	403.913	5.279	50	40	HKGB	
N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(Br)c1	408752666	FXIKCAFWTUAXKS-WMZJFQQLSA-N	412.070	5.007	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1cccc(Cl)c1	408755047	TVEDPXVNZMKGJR-ZDLGFXPLSA-N	411.730	6.574	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(F)c1	408809861	SIDRXQFVDJXHNP-UJXHEIMFSA-N	422.500	5.015	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)o1	408964110	OKWCITGUAXEREU-RMORIDSASA-N	407.684	5.979	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c3ccccc32)c1	408997063	QKXBQJHSBMQUPZ-HAHDFKILSA-N	419.528	6.161	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc(Cl)c1OCc1cccc(C)c1	409190376	XWVXUGUVJGWQES-ODLFYWEKSA-N	424.928	5.202	50	40	HKGB	
COc1c(Cl)cc(Cl)cc1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	659659	QPABADFVZSHSFI-BHGWPJFGSA-N	413.260	5.665	50	40	HKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CC[C@H](C)C2	948293	MJKDIXUACCUMQI-BRFSQIRFSA-N	422.550	5.329	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	33704858	CTYWGIDBINJQIZ-AFUMVMLFSA-N	404.853	5.526	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1Cl	40889207	UHTSQJMMQLYMKL-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc2[C@H](C)CC1(C)C	260572653	XOLKMDZKNTZSEJ-LELXDKESSA-N	423.398	7.014	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3ccccc3F)ccc3ccccc23)c1	408880579	JWVQTWRCTXLMGL-HAVVHWLPSA-N	420.487	6.424	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)oc12	408970808	KOLHRZHKMNQUAI-JFLMPSFJSA-N	423.472	5.208	50	40	HKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	3092215	MNGDMYOPYSEFFD-XQNSMLJCSA-N	417.347	5.562	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(C(=O)OC(C)C)cc4)o3)[nH]c2c1	4494502	ZQRKJULTZKEXAO-CPNJWEJPSA-N	411.461	5.761	50	40	HKGB	
Cc1ccc(C(C)C)c(OCCOc2cccc(/C=N/NC(=O)c3ccccc3)c2)c1	4499404	NVDBLCDMESSGCS-OVVQPSECSA-N	416.521	5.340	50	40	HKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCCCCCCCCCC1	5746959	KFFWPCCFXUAXEL-INIZCTEOSA-N	413.389	6.538	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)c1nc2ccccc2s1	11990322	VOPGOEXFRDKJSB-QGOAFFKASA-N	402.906	6.593	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@@H]1C[C@H]2CC[C@@H]1C2	17091272	GVHDCDKVQJQNKZ-UHGPEFOUSA-N	417.940	6.097	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1	59297063	KDEGGQXECGRIFI-HMMYKYKNSA-N	416.452	5.349	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Br)cc1	208662572	TWHVPRBSKOQTQE-ATVHPVEESA-N	417.310	5.797	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	408806242	MHUMBXJTGPQUKI-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1	408868103	LJSJFSDMBCYENK-HMMYKYKNSA-N	402.881	5.485	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1	409000248	XZSGPEJQYOBBOG-PKAZHMFMSA-N	411.505	5.410	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)oc2Cl)c1	3074897	TWEMIZLSZAZHKQ-DHRITJCHSA-N	410.901	5.561	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)[nH]n1)c1cc(Cl)cc(Cl)c1	9363641	ALHKZIUIJKOXGJ-LSHDLFTRSA-N	407.688	5.191	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(C)c1	16438669	NYNMWRJKUZCKDH-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21	223481455	KLWBFAHRMJJJOB-UNOMPAQXSA-N	419.956	6.296	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2[C@@H](C)CC1(C)C	223556680	CHQMOSOGIMRHFB-LSPINASFSA-N	421.972	6.386	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)c1	223597821	USZXOVWOGCYSQW-CWGWECIMSA-N	415.581	6.350	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Br)cc1	408531123	NGHCYZFTTZNBFN-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Br)cc1	408579665	JIDCDFYMUVKIOL-YBFXNURJSA-N	424.725	6.746	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc4ccccc34)c2)cc1	408759622	ICDBPYRDWIOGNK-JLPGSUDCSA-N	418.496	6.273	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)c(C)c1	408794992	UIFMQXKBEQPAAS-OVCLIPMQSA-N	400.265	5.058	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)NCc1ccccc1	409023823	RCZCAWBTJHBGEZ-VBKFSLOCSA-N	410.951	5.776	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409199504	DVCNAVYSGUAEQP-BKUYFWCQSA-N	404.429	5.534	50	40	HKGB	
CCc1ccc(/C(C)=N/NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1	4402228	RERRCPUAGMCBMY-ZXVVBBHZSA-N	408.586	5.882	50	40	HKGB	
CCCCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)CC(=O)N1	12250586	QYSYVLYGHFERGP-IBGZPJMESA-N	422.550	5.146	50	40	HKGB	
Cc1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCOCC3)nc2c1	25266114	NRIQOJIAAZPFNK-XMHGGMMESA-N	412.518	5.054	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	58871467	NEQFDMNMQJSQGS-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1Br	59432657	QIYNYPCEGIQFCB-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccc2ccccc2c1	100927746	GSOHOCUBQHMZFL-DHRITJCHSA-N	414.292	5.281	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@@H]1C[C@H]2CC[C@H]1C2	107910596	GVHDCDKVQJQNKZ-ZCQORZAUSA-N	417.940	6.097	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c1C	408804954	HPSQECGQWCZYDR-OZCROYJBSA-N	409.961	5.658	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2[C@@H]1c1ccccc1F	646927	BMOLYNKJUGWKMR-OAQYLSRUSA-N	408.436	5.101	50	40	HKGB	
O=S(=O)(N[C@@H](c1ccccc1)[C@H](Cl)c1ccccc1)c1ccc(Cl)cc1	1066497	OHHMWQSOGNTQQA-UXHICEINSA-N	406.334	5.340	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccccc3Cl)C2)[C@H]1c1ccc(Cl)cc1	2278221	JIXOSOOWNHLCOH-XCLFUZPHSA-N	411.288	5.202	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(s3)CCCC4)c2C)cc1	2657754	NWRHLUYBIZNRHE-MFKUBSTISA-N	421.566	5.197	50	40	HKGB	
C/C(=N\NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	4155282	KDVRLZNPYJJPBR-KIQCMGJBSA-N	401.293	5.454	50	40	HKGB	
COc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1OCc1ccccc1Cl	4854407	OVXIDWWKLHTSEB-QGOAFFKASA-N	415.880	5.868	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(CC)cc4)CSC3=C2C#N)cc1	4922838	IDUHODGYGLNJPK-NRFANRHFSA-N	403.551	5.031	50	40	HKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)CCn1c2ccccc2c2ccccc21	6182394	DHKKMIQYAQYVMO-MTDXEUNCSA-N	421.500	5.497	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	17286330	BJVXVKLJFXCDCP-XMHGGMMESA-N	417.534	5.970	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1cccc(Cl)c1	58871446	OECNQYDSJDULFR-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1F	59117156	DFHFOPLGIBKMJC-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)Sc1nc2ccccc2[nH]1	408598579	DXBUXZPOYZCCFM-GXDHUFHOSA-N	412.301	6.786	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)cc1	408599153	PJXUNEVPJUTPKC-DEDYPNTBSA-N	400.507	5.636	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c2c1	408794965	KRBCDXSAGHIGDY-XSFVSMFZSA-N	414.505	5.800	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1F	408867169	JTSYIBKTHSQCJC-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(F)(F)F)c2)c(C)c1	408932268	BTZUMQMFCVPGKN-ATVHPVEESA-N	409.411	5.659	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	409048156	QRRFBXSKMRBKJQ-CXUHLZMHSA-N	401.293	5.721	50	40	HKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1C	1113462	DUXOKBIJCAKZBZ-DEDYPNTBSA-N	415.449	5.162	50	40	HKGB	
Cc1ccc(C)c(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)c1C	4724149	ZUZWFXADPLAAOX-VEVCQMGESA-N	416.481	5.262	50	40	HKGB	
Cc1ccc(CSC2=C(C#N)[C@@H](c3cccs3)C3=C(CC(C)(C)CC3=O)N2)cc1	5103523	CPZBGDBEKAOLFI-NRFANRHFSA-N	420.603	6.055	50	40	HKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C(c1ccccc1)c1ccccc1	5722763	KNMDIUDLRQBXOM-OAHLLOKOSA-N	413.304	5.330	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Oc1nc(Cl)ncc1F	9187456	BHEMPFOOWLODBG-MDWZMJQESA-N	421.819	5.010	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c1C	408585812	IXUPECCORGSYKQ-NVMNQCDNSA-N	415.751	7.427	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)cc2)c1	408744666	GJUZCOSSFRNSCO-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)cc1	408866029	FGTLLCFVHKAUOY-CJLVFECKSA-N	400.909	6.039	50	40	HKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408875978	LXEPQUWTLLUXQC-HAVVHWLPSA-N	404.469	5.964	50	40	HKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)c1	408964812	FBNZIUPFBZQBMG-BKUYFWCQSA-N	404.897	5.988	50	40	HKGB	
COC(=O)c1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)o1	409188913	KKJMDPWIRZHNPS-RVDMUPIBSA-N	420.852	5.241	50	40	HKGB	
Cc1cccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3OC(C)C)s2)c1	4749774	FZFQDAFUOGGNDE-DEDYPNTBSA-N	417.534	5.375	50	40	HKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1cccc(NC(=O)C2CC2)c1	5381109	LRWJABRZFBOANR-MSXFZWOLSA-N	411.914	5.057	50	40	HKGB	
COc1ccc(C(=O)Oc2ccc(/C=C(/C#N)c3cccc4ccccc34)cc2)cc1	6441503	BBHAJAWTGPPIEV-XLNRJJMWSA-N	405.453	6.132	50	40	HKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	6615577	VSLKKIWKDLORMG-OVVQPSECSA-N	400.522	5.256	50	40	HKGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1	13370509	KCKYLIIZEFECIZ-PDGQHHTCSA-N	418.909	5.785	50	40	HKGB	
COc1cc(/C=N\c2cc(Cl)cc(Cl)c2)ccc1N(CCCl)CCCl	104080179	DLWXPVSBORZXMV-FMCGGJTJSA-N	420.167	6.037	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1	137040956	KMJLTCWDIXTVKB-GNFOSXPUSA-N	416.908	5.703	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2[C@H](C)CC1(C)C	208317168	GLRYCYGNEVBSGX-RXWSAZGZSA-N	417.553	5.661	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc(Cl)c1O[C@H](C)CC	408567003	CDKPFCBZHCKZDC-ATDKOCKZSA-N	413.880	5.996	50	40	HKGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccccc1	408720313	YMQBOBRQXPQSOG-SECKTWPTSA-N	424.500	5.257	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408868368	PUDJIFGVWHFVTB-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1cc2cc(Cl)ccc2o1	409022776	SKVXVOYZNLWLTQ-SSDVNMTOSA-N	409.785	5.018	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	409068100	SSDYVMZOTWFRPZ-ZROIWOOFSA-N	404.272	5.278	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCC)c4ccccc34)cc2c1	409185030	PWTFQQPYUCPIMZ-MYYYXRDXSA-N	402.450	5.147	50	40	HKGB	
O=C(CCl)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1	3331451	PKDNBEYLPYQOSZ-UHFFFAOYSA-N	421.747	5.345	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)c2c(-c3ccccc3)n(C)c3ccccc23)cc1	5688520	VQHXPDNCUXDXEL-HEHNFIMWSA-N	406.485	6.034	50	40	HKGB	
CCCc1cc(C(=O)N/N=C(\C)c2ccc(NC(=O)Cc3ccccc3)cc2)cs1	17091936	HZHYIAJVDJVZOS-YZSQISJMSA-N	419.550	5.036	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)c(C)c2)cs1	100843653	FAPURXVCPFCZCS-AQTBWJFISA-N	403.507	5.580	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)ccc1OCc1ccc(C)cc1	107794526	WXNBJQZBOSRXAS-HMAPJEAMSA-N	423.516	6.222	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21	223486899	LBIQRDHWDAPTPT-UNOMPAQXSA-N	403.501	5.782	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Br)cc1	408527712	GGHPPPMCDYSAIR-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
N#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408798646	WGJHAPVMPCPQAF-KPKJPENVSA-N	406.656	5.095	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1Cl	408862890	JDEORHJNNYUTKT-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408986311	BSQRKHVOFBUOGW-CPNJWEJPSA-N	422.912	5.496	50	40	HKGB	
CC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)o2)c1	409022955	AAGHEWPVFCDFNJ-MSXFZWOLSA-N	406.825	5.313	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccccc1	1195525	ZBPYSUONRLOCCN-KGENOOAVSA-N	409.464	5.052	50	40	HKGB	
O=C(Cc1ccccc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	14134885	INXBVRVMYLRNLJ-CVKSISIWSA-N	401.897	5.036	50	40	HKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1	20132833	MILWUNFAKTZTHA-SNVBAGLBSA-N	420.170	5.259	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1-n1cccc1	35303863	BGHCDNOPLGITBG-QFEZKATASA-N	424.287	5.808	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c1	58823190	RIKZTSUBBPAPCD-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CN(CC#N)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]21C	59408732	JOKRPORJXQCDAP-FBAAGFKHSA-N	421.025	5.004	50	40	HKGB	biogenic
O=C(CCCC[C@H]1CCSS1)N1CCC(c2noc3cc(F)ccc23)CC1	79479133	KVAFTUJHEJECDF-INIZCTEOSA-N	408.564	5.387	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	100860101	OXFAVMFZEYKXNQ-JLHYYAGUSA-N	423.856	5.686	50	40	HKGB	
N#CC1=C(SCc2ccccc2)N=C2CCCC(O)=C2[C@@H]1c1ccc(Cl)cc1	104141891	FWEMQFVAXWMNHL-OAQYLSRUSA-N	406.938	6.543	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)o1	107607630	PMSAZXLLEFFQFC-LFIBNONCSA-N	419.487	6.430	50	40	HKGB	
CCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OCC	408533790	SEWVOETZDGNLFC-ITYLOYPMSA-N	404.510	5.110	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1ccccc1F	408872743	PNBXRABXWMAAKI-DEDYPNTBSA-N	418.443	5.500	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(F)c(Cl)c1	409002284	SUKXREOBULWYCD-VYYCAZPPSA-N	419.887	5.804	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(Cl)c1	409054178	SBEVKPVWBPIVOI-DHRITJCHSA-N	400.950	5.713	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1)c1ccccc1	409060273	ZCMAYDVNRYTLEJ-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(Br)cc2)cc1	3092209	YPFMPAKMXNSOHH-XQNSMLJCSA-N	417.347	5.562	50	40	HKGB	
Cc1ccc2nc(SCC(=O)N/N=C/c3ccc(Cl)cc3Cl)cc(C)c2c1	6281461	ZEOMOCGCUJHBEU-AUEPDCJTSA-N	418.349	5.401	50	40	HKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1	13596879	BCVLZWFOSZEDNP-FBHDLOMBSA-N	410.351	5.236	50	40	HKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	33654007	XNYKYAMFSLYIEY-NDENLUEZSA-N	420.306	6.240	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(CCCC)cc1	33782483	HKOPSHJTTDXLSX-ITYLOYPMSA-N	414.977	6.406	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccccc1F	59116711	XLTCAPWKGHGUKY-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c(C)c1	59201797	LTXVKVKYKMISPJ-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	59436864	LGDJQOAVWALNOL-FOKLQQMPSA-N	419.333	5.804	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc(F)c1	408565873	BXUAZWGCHBPGJW-MFOYZWKCSA-N	417.415	5.493	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2c(F)cccc2Cl)c2ccccc12)Nc1ccccc1	408988251	RUBDLFJAZUNXKN-LGJNPRDNSA-N	420.875	5.638	50	40	HKGB	
Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1	1407110	OSRAYXLIUSYNCD-XMHGGMMESA-N	420.509	5.176	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1OCc1ccccc1F	3947288	VXGJEWVWXORCRO-CPNJWEJPSA-N	413.452	5.364	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCCOc1ccc(C)c(C)c1	4196605	YHNQYKNFDHUCRL-ULJHMMPZSA-N	413.517	6.224	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1OCc1ccc2ccccc2c1	4506809	HRERRJFCGCQTBL-YDZHTSKRSA-N	414.505	5.249	50	40	HKGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	4724546	RFZSEVOBOGHIBK-JBAIQXCSSA-N	404.510	5.022	50	40	HKGB	
CCCCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	4805121	WMKFVRCISUGASH-UYRXBGFRSA-N	420.534	6.070	50	40	HKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)C3CCCCC3)ccc21	6026962	YHSLHIWBQKOEJE-WPWMEQJKSA-N	418.541	5.215	50	40	HKGB	
CC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1cc(C)ccc1C(C)C	9434598	RIZMWVZRFDCWDN-ZVHZXABRSA-N	402.922	5.090	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	11853090	KJBLHNJMNDOBRH-XMHGGMMESA-N	415.468	6.732	50	40	HKGB	
N#C/C(=C/c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1	13552456	YMVQUSJCSQGUHD-SSZFMOIBSA-N	419.893	5.113	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1	13955330	BNKFJQDJCCYZPE-MYKKPKGFSA-N	417.292	5.399	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	31858902	JUWNTTOJWCVYSI-NAHYFOQLSA-N	416.949	5.525	50	40	HKGB	
FC(F)(F)C(CCCCI)(C(F)(F)F)C(F)(F)F	95686660	ODAVUHMRDFNBCS-UHFFFAOYSA-N	402.038	5.265	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	96487963	QKXPTOGMPNTDDA-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Br)cc1	408526532	CJZNGOZTYRBTDA-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc(Cl)c1	408832442	YRFABYROGRAMCE-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Br)c2)c1C	408968855	ZTCVGENLSRDNSG-BKUYFWCQSA-N	405.339	6.483	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cccn3-c3ccc(Cl)cc3)cc2c1	409187845	VADQROHUFZZNTE-OYKKKHCWSA-N	407.857	5.040	50	40	HKGB	
CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c1	4148681	LDQIHZLMDJNPJB-ATVHPVEESA-N	413.458	5.096	50	40	HKGB	
CC(C)Oc1ccc(/C=C(/C#N)Sc2nc3ccccc3s2)c(OC(C)C)c1	6358456	RSAIGEYIRVCCMW-WQRHYEAKSA-N	410.564	6.527	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1C	59432625	DHUKWAHHRDNLOM-MHWRWJLKSA-N	421.840	5.671	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(O)cc1	107888698	OYQJTDHGFGNGSL-SSZFMOIBSA-N	406.894	5.742	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3OC)cc2[C@H](C)CC1(C)C	208319224	TVHVKZRFOSPOBJ-GTPWMTBTSA-N	407.558	5.188	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[C@@H](C)CC1(C)C	223576666	IWULVALLGMQMNI-CVHFWEDTSA-N	401.554	5.331	50	40	HKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1	252501738	UIWOISGNYUOCSV-GZTJUZNOSA-N	408.860	6.408	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408799223	YONOVQDNCFYQHU-XNTDXEJSSA-N	417.292	5.503	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(F)cc2)c1	408810067	OWIMWBSONSLDPA-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)Nc1ccccc1F	408815953	WCGQKJGYAUYKBV-KAMYIIQDSA-N	411.230	5.394	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1cccc(F)c1	408875655	GSOHQWGZJUEIDD-DEDYPNTBSA-N	416.452	5.066	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(C)c([N+](=O)[O-])c1	3177190	ZAJYUGIYAXIGQC-UHFFFAOYSA-N	414.490	6.118	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1cccc2ccccc12	3668356	ONYSTRQIRHSBSO-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1F	6157739	RIFGNXFKTVOZQC-VEILYXNESA-N	418.512	5.856	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1Cl	8192583	CKAZNAYCDAFRFT-XDHOZWIPSA-N	419.912	5.610	50	40	HKGB	
C/C(=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1	9183463	ZUZTWYSMQUJTQY-IHTUBPMPSA-N	423.343	5.840	50	40	HKGB	
CCn1c2ccccc2c2ccc(N/C=C(/C#N)S(=O)(=O)c3ccccc3)cc21	11692046	KDDTYLJYLZWPJI-MNDPQUGUSA-N	401.491	5.065	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cc1	20764555	YRIYWZMLKUJWAS-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
CCO/C(=C/[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104122148	YGECGQGJTIHKLN-WEMUOSSPSA-N	410.497	5.748	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)o1	408599057	OAGSETZZTNBBQU-LFIBNONCSA-N	402.435	5.696	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	408744780	MVZDHENSBNHMQL-XMHGGMMESA-N	419.912	5.692	50	40	HKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408790207	VCOORLGURMFHGT-MDWZMJQESA-N	405.668	5.204	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409043099	PTFKRUPAHPWISL-NTUHNPAUSA-N	418.236	5.012	50	40	HKGB	
Cc1ccc(NC2=N[C@](c3ccccc3)(C(F)(F)F)C(C#N)=C3C=CC=CN23)cc1	6044385	VGLKPQAMBXHLJK-QFIPXVFZSA-N	406.411	5.398	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	6205996	QXKJCXXUXANTFQ-FMIVXFBMSA-N	404.297	6.541	50	40	HKGB	
COCc1c(C(=O)NN(c2ccccc2)c2ccccc2)sc2cccc(F)c12	7781298	OBSPUADBJBBIGO-UHFFFAOYSA-N	406.482	5.670	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)c1nc2ccc(F)cc2[nH]1	408568623	KQZFBOIFFWVRCT-LCYFTJDESA-N	408.230	5.789	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(Cl)cc1	408791439	YVXJGOHGAOJNPB-ATVHPVEESA-N	410.304	5.947	50	40	HKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	408794868	KEHRYECAOUMNGK-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)c1	408989176	SJKHCLJHJAEJPI-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)cc(Cl)c1OC	2637020	TXVNQPPKQAMJBQ-QDEBKDIKSA-N	411.672	5.210	50	40	HKGB	
O=C(N/N=C/c1ccncc1)c1ccc(COc2ccccc2-c2ccccc2)cc1	3253086	KYUAVRQAPXDLOH-MTDXEUNCSA-N	407.473	5.092	50	40	HKGB	
CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@@H](Cl)c1ccccc1	5853029	SOJGZAYPCFPSDS-JYFHCDHNSA-N	403.953	6.488	50	40	HKGB	
Cc1ccccc1C[C@@H](C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	8861178	AWTKTNTWHGFKBE-NJRDNMGOSA-N	421.338	5.234	50	40	HKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)[C@@H](Cl)C(=O)C(F)(F)F)cc1Cl	197254154	VGYSINCEOMVZRL-GFCCVEGCSA-N	415.311	5.646	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C(C)C	223589119	JCSWDDCLOQWRTA-HSOLMKNUSA-N	411.977	5.913	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)cc1	408799150	JVKQIVQYZSJNFF-PXLXIMEGSA-N	412.489	5.437	50	40	HKGB	
Cc1cc(C)c(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(C)c1	408853918	ZUMKQXZECKRBMS-MIXAMLLLSA-N	421.544	6.142	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)c1C	408866971	IGCXEAIYLUIUNW-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CC[C@H](C)n1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	408905390	YHOJXENKQAESFO-IIHGDPFSSA-N	404.426	5.031	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	409009154	XRUQVZGALHRIRQ-AFUMVMLFSA-N	415.320	6.089	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)NCCCc1ccccc1	409221237	NDCWJLJCICNLEU-CYVLTUHYSA-N	424.422	5.621	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccc([C@@H](C)CC)cc1	4778801	ANFPAFWBZSUIOF-JXYIUTTOSA-N	404.510	5.281	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCc1cccs1	59534438	MYPUZOMYQJZSQM-FMIVXFBMSA-N	403.290	5.538	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\C=C\c1ccccc1	104164716	BUUOKQUXEQOYOS-KNQDAMDPSA-N	412.662	8.063	50	40	HKGB	
COc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Br)cc1	107686661	YBYCRNPTMYWRES-NSCUHMNNSA-N	423.104	5.336	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc([N+](=O)[O-])c1	408569204	ZLAYEGZYEQHDBC-SXGWCWSVSA-N	401.401	5.082	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)c1ccc(Br)cc1	408579874	KYSZMRWTRNJIIB-CPNJWEJPSA-N	408.270	6.231	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1OC	408581177	HDHQMEYKRQWFGC-DEDYPNTBSA-N	416.433	5.255	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)ccc1Cl	408691649	KCBPQJZDPACAMC-GDNBJRDFSA-N	417.852	5.343	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408923415	IJIRUJIHMLHRNR-WPWMEQJKSA-N	424.585	5.469	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Br)c2)o1)c1ccccc1	409239369	MZRDYGWIJWIFAN-LUJRCDHRSA-N	421.294	5.493	50	40	HKGB	
COc1ccccc1N1C(N)=C(C#N)C(C(F)(F)F)(C(F)(F)F)C2=C1CCCC2	721274	NMHYJSQFVFUCPF-UHFFFAOYSA-N	417.353	5.148	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2F)cc1)c1cccc(C(F)(F)F)c1	2301713	JXIGDGXNZPKRMN-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
CC[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/C(C)=C\c1ccc(C(C)C)cc1	4631360	WHLZZYNTMGIASO-CEISJWQZSA-N	420.582	5.763	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	33343634	ZBHUFNVPVJQSKV-UVTDQMKNSA-N	416.786	6.164	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)c1cccc(Br)c1)[C@H](C)CC(C)(C)N2C	208214947	BGXAUWRZETUZKQ-DZGUVLCISA-N	409.371	6.544	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	208265617	HSIMFVSIQQEBCB-GKBXUSSOSA-N	414.937	5.226	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)cc1	408745122	POKJWYYLDUYQHJ-RGEXLXHISA-N	403.457	5.178	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cccc(Br)c1	408750278	ZCQCLEVOXIDNPU-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
O=C(c1ccc(Cl)s1)[C@H](Cl)[C@@H](Cl)c1ccc(Br)s1	1685379	VOZIGMOIWKPGSM-VHSXEESVSA-N	404.565	5.996	50	40	HKGB	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1	15357231	DAPFAQCRUHANDI-QPEQYQDCSA-N	418.305	5.488	50	40	HKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(C2CCCCC2)cc1	17088736	ZBVYEGGOQOMPPX-MFKUBSTISA-N	410.970	6.756	50	40	HKGB	
Cc1ccc([C@]2(C)CC/C(=N\NC(=O)c3ccccc3)c3cc(C)c(C)cc32)cc1C	17424615	UTAJDXXHGYEEHE-NPAJZZOTSA-N	410.561	6.154	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc(O)c4ccccc4n3)s2)cc1	36636023	BDZUSLLOAPXONT-NTCAYCPXSA-N	401.516	5.921	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1	408583481	UXSZGUDFTPUVPY-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1-c1ccc(OCc2ccccc2)cc1	408835215	NHSPVZPMXYOAPU-HAHDFKILSA-N	413.521	5.105	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccccc1F	408865332	BVGGKHBVAVAYNA-LDADJPATSA-N	408.835	5.755	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Cc2ccccc2Cl)c1	408875012	HKYPDVDMQOJQRZ-FYJGNVAPSA-N	416.908	5.794	50	40	HKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCc2cccc3ccccc23)cc1	409127744	JPUHBPHCLXRLEB-SANMLTNESA-N	420.468	5.343	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(F)cc1)c1ccccc1	409241601	KGESSBWZLASYHA-CEZZIEKDSA-N	400.453	5.189	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccccc1O	4827617	LCFRVMQBLGCYJK-LSFURLLWSA-N	409.656	5.376	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1	15012102	OHCKHAWFVIKLBF-XDJHFCHBSA-N	411.461	5.844	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	20197690	CFUKDBNLSYQZEV-MFKUBSTISA-N	409.917	5.300	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1	59117637	LZMFAWRXXKJZSM-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1cc(C(=O)Cl)cc(Br)c1OCc1cccc2ccccc12	226327629	ZKRWQZNKMPZARB-UHFFFAOYSA-N	405.675	5.569	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl	408971643	KSEBYGAQNPQVPH-YXSASFKJSA-N	418.132	6.279	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408976136	PNCJCXIRNSHLPR-MKQJEUFKSA-N	412.533	5.695	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1	409265175	SSCFYSDSCNJUEY-WPWMEQJKSA-N	402.538	5.617	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1O[C@@H](C)CC	409389018	AEDKDZZRXGYDAD-DUPVFGOHSA-N	418.306	6.228	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OC)c(OCc4ccccc4)c3)[nH]c2c1	409392462	POPFUIZPLBWZBU-UNOMPAQXSA-N	411.461	5.223	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)NCCc1ccccc1	4544477	CBRVPIUSZYGTSL-JWGURIENSA-N	416.908	5.185	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)cc(Cl)c1O)c1ccc(OCc2ccccc2)cc1	14027701	DWQMUYDAISCZOF-WYMPLXKRSA-N	415.276	5.042	50	40	HKGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1	16398905	ZGCVMEJRYDADFG-AFPJDJCSSA-N	409.320	5.130	50	40	HKGB	
CC(C)(C)[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccccc2)[C@H]1Cl	26787285	SUDPZJQIHDPTGK-PJVNKMEESA-N	407.124	5.171	50	40	HKGB	
N#C[C@H](Cl)Cc1ccc(Cc2ccc(C[C@@H](Cl)C#N)c(Cl)c2)cc1Cl	59103303	UFJCXQOPQINIQO-IAGOWNOFSA-N	412.147	5.931	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1	59224630	MABNQGWYKDRCDM-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1	408808994	GGOFQSYFVLBMGL-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OCC	408991200	PPUCHIPDEVHOOQ-CPNJWEJPSA-N	424.928	5.720	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCC1	409189731	SCCPQFFSHZWOBZ-AQTBWJFISA-N	403.913	5.309	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cccc(Br)c4)o3)[nH]c2c1	409391740	KZRKWFPEEIEWGT-UVTDQMKNSA-N	420.266	5.658	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	3033359	RIBQOFOYEGHXIP-WPWMEQJKSA-N	416.521	5.092	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	4815019	FTTRBLHWTQWOSL-QGOAFFKASA-N	403.507	5.580	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1	12285065	JYTMTKCUDOJIJV-JLHYYAGUSA-N	415.301	6.283	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	12564850	JPYQTIYPHKOIPB-DWQBAWJJSA-N	400.856	5.327	50	40	HKGB	
CCc1ccc(-c2cc(C(=O)N/N=C(/C)CC(C)C)c3cccc(Cl)c3n2)cc1	17087814	DZSDSXZAWSDQLB-YUMHPJSZSA-N	407.945	6.269	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)cc2)cc1	209279393	WZKWBNUJHOBFIS-JWGURIENSA-N	412.489	5.518	50	40	HKGB	
CC(C)N1c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc2[C@@H](C)CC1(C)C	223563005	NHJHQSJAMXDJEX-QVMKDISWSA-N	403.526	5.697	50	40	HKGB	
COc1cc(C)c(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1C(C)C	408859405	WZKIMSUTTAEIET-CVKSISIWSA-N	403.526	5.298	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc(OCC)c1OCCC	409069883	BCGUSABSBBFZFS-HMMYKYKNSA-N	420.509	5.157	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409070048	ZKBNRBAAIPHYGD-RGEXLXHISA-N	418.949	6.654	50	40	HKGB	
COc1cc(C)c(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1C(C)C	2177717	QDMAWJUWLQEZAY-ZFVWIKOCSA-N	423.340	5.351	50	40	HKGB	
N#C/C(=C\c1cc2ccccc2nc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	3186212	YAIFLIULKNCVRX-NTEUORMPSA-N	401.775	5.453	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1O[C@@H](C)CC	6224613	TWOJQGIYGSYLCN-FBKCMUNRSA-N	418.306	6.228	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1	6812633	VQGRRAXDHZTVBX-PGMHBOJBSA-N	404.473	5.393	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OC(=O)c1ccc(F)cc1	8861737	CJSZMFJQSXHMIR-PDGQHHTCSA-N	418.380	5.026	50	40	HKGB	
O=C(CCCC[C@@H]1CCSS1)NC1(c2ccc3c(c2)OCCO3)CCCC1	9909712	JASCZHFGHOJXKG-QGZVFWFLSA-N	407.601	5.057	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(Cl)cc1	33644266	JOBCOSWOWQMWOZ-MFKUBSTISA-N	403.869	5.056	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3nccs3)cc2[N+](=O)[O-])cc1	33783304	JHBYAOPLNBSKDE-GDNBJRDFSA-N	422.491	5.057	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(C)c3)cc2)cc1	59297072	MZLTWZJCXNQSKS-JWGURIENSA-N	412.489	5.518	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1	208211331	NITDGNQBLYOQJP-LSPINASFSA-N	403.526	5.271	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1cccc(F)c1	408875970	MTUIKDUQKGNWER-DEDYPNTBSA-N	418.443	5.500	50	40	HKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1	408985110	VISLOHFHYDFQLA-BKUYFWCQSA-N	417.940	6.218	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	409041144	IOZLHOMIMAKUTF-NTUHNPAUSA-N	409.700	5.981	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2ccc(Br)cc2)s1	939459	YXWISWZRMCAIBX-MHWRWJLKSA-N	424.323	5.042	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1C	4663760	UAOWZJKOVPKXCL-BUVRLJJBSA-N	411.549	6.127	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1OC	6224100	GUXBFLLSOGSGBQ-LTKMBJGESA-N	412.917	5.688	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1	6410527	PKRFDCZZLQBCIN-LUYJPIOASA-N	411.288	6.038	50	40	HKGB	
N#C/C(=C\Nc1ccccc1F)c1nc(-c2cc3cc(Cl)ccc3oc2=O)cs1	9267233	MBQZXMOICHPPPT-JLHYYAGUSA-N	423.856	5.686	50	40	HKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c2c1	59513100	MVAULDYSIFVYKP-XMHGGMMESA-N	407.473	5.698	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc2ccccc2c1	408548992	OYNUMXSAZPVAFA-PDGQHHTCSA-N	400.821	6.726	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1nc2ccc(F)cc2[nH]1	408568753	WTXSHUSSPFYRHB-YVLHZVERSA-N	414.396	5.253	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Br)c1)C(=O)Nc1ccc(Cl)cc1	408745149	KFONWZGGQVQJFE-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408787765	FYALYAJOILUQKX-NTEUORMPSA-N	403.265	5.112	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1C	408857784	PVTKIWUEQXLIHE-MTDXEUNCSA-N	424.548	5.520	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)c(C)c1	408935900	IRWRRVHWGDOQMC-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1Cl	408939392	SBILPTFBEXKBMO-GRSHGNNSSA-N	420.871	5.912	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1	409255334	YUDQODFYPDOCLY-HYARGMPZSA-N	409.464	5.683	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)C(c3ccccc3)c3ccccc3)c2C)c1	409391572	JVUYHUGQPKMMSE-VUTHCHCSSA-N	421.544	5.685	50	40	HKGB	
C=CCc1cc(C=C(C#N)C#N)cc(OC)c1OCc1ccc(Br)cc1	4681253	CWVLRYBWCNQMCG-UHFFFAOYSA-N	409.283	5.196	50	40	HKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(SC)cc3)CC(=O)N2C1	4923260	VLYAERMZZYTMAW-IBGZPJMESA-N	421.591	5.190	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1	6618432	WTVUXPGPRIVRRN-CYVLTUHYSA-N	404.498	6.213	50	40	HKGB	
N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2ccc3ccccc3c2)cs1	9009940	NOUUQZQTKHDDQI-AQTBWJFISA-N	421.447	6.959	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1	9404893	LEASFLFWXZLXQF-SFQUDFHCSA-N	422.485	6.032	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)CSc1nc2ccccc2s1	12374206	LHYUCJNMIIGBHC-QRVIBDJDSA-N	421.547	5.091	50	40	HKGB	
N#C/C(=C\Nc1ccccc1SC(F)(F)F)c1nc(-c2ccc(F)cc2)cs1	13123240	WIPQIRSSKULZCF-JLHYYAGUSA-N	421.444	6.538	50	40	HKGB	
CC(/C=N/NC(=O)Cc1ccc(Br)c2ccccc12)=C\c1ccccc1	15134875	IKCDEZUITSNUEE-QBVSKOQHSA-N	407.311	5.350	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	23217712	KAPGPLNOXYYXJS-JLHYYAGUSA-N	423.812	5.062	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	59224577	HJONYTQNZKNBGQ-LFIBNONCSA-N	418.415	5.439	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1	408796393	YBEQJZXQJSFUAV-PXLXIMEGSA-N	423.472	5.082	50	40	HKGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1ccc(C(F)(F)F)cc1	409017943	WNBKHKBTZMDLHB-PTNGSMBKSA-N	417.228	6.323	50	40	HKGB	
CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1	409368176	OIPYEYYYLCRQMG-JOCHJYFZSA-N	419.525	5.150	50	40	HKGB	
CCOc1cc([C@@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1ccc(C)cc1	409368177	OIPYEYYYLCRQMG-QFIPXVFZSA-N	419.525	5.150	50	40	HKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1	985847	KRNAEFHYQVMNFJ-HSZRJFAPSA-N	420.516	5.647	50	40	HKGB	
ClCCN(CCCl)c1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1	1682296	PHUJVYPVOODXKN-UHFFFAOYSA-N	422.787	5.827	50	40	HKGB	
CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2310605	HWSPTOSZKPYTBP-JOCHJYFZSA-N	402.519	5.058	50	40	HKGB	
CCCCCCc1ccc(-c2csc(NC(=O)[C@H](Cl)c3ccccc3)n2)cc1	3269627	BLTHWYCSCHELLA-OAQYLSRUSA-N	412.986	6.852	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C	59336501	OMHIQNPFMNILRR-LGMDPLHJSA-N	413.304	5.832	50	40	HKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2[nH]1	100171851	HGMWKRHBPRQDBB-LFVJCYFKSA-N	424.570	5.155	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1cccc(Cl)c1	408601650	LEGAXDTVZMCVGA-JYRVWZFOSA-N	401.224	5.938	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(Br)c1	409017340	FUYTVJWYFCHHLX-LGMDPLHJSA-N	420.310	5.348	50	40	HKGB	
C[C@@H](Br)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-]	2570442	ICIXXVHIHXCABC-SECBINFHSA-N	415.696	5.121	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c1C	4047926	HPADRESTVRQBDP-IWIPYMOSSA-N	405.501	6.101	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccco1	4710675	LDFOGLWBCOUQQW-LDADJPATSA-N	415.880	5.159	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1OC(C)C	6155359	XPXUEPRKZXJWOO-DHDCSXOGSA-N	404.279	5.838	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C\C2=Cc3ccccc3O[C@H]2C)nc1-c1ccccc1	6824321	KPZFOEVDZBUCON-HYTQYMIGSA-N	413.502	5.540	50	40	HKGB	
N#Cc1ccccc1OCC(=O)N(/N=C/c1ccccc1)c1cccc(C(F)(F)F)c1	13098406	SSOAIHXQMWPOTA-RWPZCVJISA-N	423.394	5.023	50	40	HKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccc(F)cc2)o1	13943721	CIYXNKZJPNICDI-JVWAILMASA-N	414.436	5.282	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccc(C(C)(C)C)cc1	48573905	AZZUYNFOUFTWRZ-OEAKJJBVSA-N	415.331	5.075	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1	59201049	AIORRYMVIYMLRP-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]21C	68568917	OTVRYZXVVMZHHW-BKFDKJCYSA-N	405.110	8.635	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1ccccc1F	408801657	VDQFVHKHMRJWMJ-DEDYPNTBSA-N	420.447	5.246	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)cc(C)c1OCc1ccc(Cl)cc1	408852009	PKLGOFQUOUGJIA-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1C	408967080	PDEJFTUDCMSJFO-ZHZULCJRSA-N	403.913	5.856	50	40	HKGB	
CCOP(=O)(OCC)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	2324849	QQDVBZYTBRQHKB-GXDHUFHOSA-N	400.198	6.384	50	40	HKGB	
C/C(CC(C)(C)c1ccc(C)o1)=N\NC(=O)CSc1nc2ccccc2s1	5024941	RYUHHQKRPQXCIO-LPYMAVHISA-N	401.557	5.150	50	40	HKGB	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	5986550	FZGSSOZLXBYLLO-QGOAFFKASA-N	414.465	5.165	50	40	HKGB	
N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(F)cc2)cc1	8812464	DUCUWOKBEBDFEO-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
CC(C)(C)[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccccc2)[C@H]1Cl	26787289	SUDPZJQIHDPTGK-MMNCZIGJSA-N	407.124	5.171	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(C)c2)cc1	59117638	HQJMHCLMHSWIFC-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1c2ccccc2cc2ccccc12	59473156	MIGGOOUWZDUNAS-VULFUBBASA-N	418.949	6.030	50	40	HKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(OC(F)F)cc4)nc(O)c23)C1	96669420	CUPSTAAKILIBSF-KWJWQAOWSA-N	413.449	5.187	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@H](c2ccccc2)S1	101636698	TWLQYWPBHJODKX-QCXLXSPFSA-N	407.495	5.012	50	40	HKGB	
BrCCCCCCCCCCCCCCCCCCBr	103646489	WXHAZAOZCQDUFE-UHFFFAOYSA-N	412.294	8.018	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)ccc4[nH]3)o2)c(Br)c1	107661408	WGTLXIFJLINPPD-RVDMUPIBSA-N	418.294	6.266	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260568170	NPLNGGKXYSTEAR-WTTSBOSASA-N	422.573	5.660	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br	408579603	ILTSMSWEWJPUKH-NTEUORMPSA-N	407.105	5.674	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1	408866135	FVLGGLVENMDBJF-XDHOZWIPSA-N	407.300	6.130	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2)cc1	409242417	UTECOHUOQIEHFT-RGEXLXHISA-N	418.949	6.654	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cccc(Cl)c2Cl)c1C	9201433	VSIGPUDTHTYAQU-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1ccc(OCc2ccccc2)cc1	23411418	FPZYAHXMEIIPPM-CIAFOILYSA-N	404.473	5.274	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1F	33347199	ZBFJIIXPGRICGV-MOSHPQCFSA-N	418.424	5.776	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc12	35077895	RZRVCIPQDDEVTO-FOWTUZBSSA-N	413.502	5.206	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)c1	59426991	KGSOYYGLTJKXBC-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1F	108984618	SFTPTDRVFQRZIK-ATVHPVEESA-N	421.302	7.200	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1)c1ccccc1	137040907	KMJLTCWDIXTVKB-LUJYGJGBSA-N	416.908	5.703	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(Cl)c1	408599644	YBQUVJCFUUBTKX-ODLFYWEKSA-N	424.725	6.746	50	40	HKGB	
Cc1ccc(Nc2nc(-c3ccc(C(=O)N/N=C/c4ccc(C)o4)cc3)cs2)cc1	408848318	VUHMJLMCOFCPRF-ZMOGYAJESA-N	416.506	5.527	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1F	408877330	UWFNNKQBGZKWHW-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCc2cccc3ccccc23)cc1	800391	KOLHRAUEGNPMEU-RUZDIDTESA-N	422.484	5.234	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1	3885204	JPYQTIYPHKOIPB-KYCHXARBSA-N	400.856	5.327	50	40	HKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	4905418	SJSDAHHZYJBBPN-CDKRMOJJSA-N	408.505	5.062	50	40	HKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccccc3F)CC(=O)N2C1	4922721	JXVVOINABTVZIX-HNNXBMFYSA-N	413.905	5.007	50	40	HKGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(Cl)cc2Cl)nc2ccccc12	6527948	YMTZKUKXOBWCBC-LSHDLFTRSA-N	404.322	5.092	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(F)cc1	59255484	NCEVTOIAADNVLY-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1	408583041	RGNAESWXPOHGEY-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2C)c1	408755201	QDGWLUQKXFVPFU-OGLMXYFKSA-N	424.548	5.574	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)[nH]c2c1	408966800	NMVJGHVCKZEHMS-QNGOZBTKSA-N	408.549	6.641	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1	409005955	GQPBQUWVYSIHML-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409110483	CMNUESWEGIXQFB-FSJBWODESA-N	424.397	5.223	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1Oc1ccc([N+](=O)[O-])cn1	409319338	DSHNPPWSAOKKMD-UYRXBGFRSA-N	423.428	6.008	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)cc1OC	409375520	LYNMIIVRCDPJOU-TUTDSIAXSA-N	409.835	6.609	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2cccc3ccccc23)cc1	409384651	DVCOQROYLNWBTQ-JLPGSUDCSA-N	421.500	5.514	50	40	HKGB	
C[N+](C)([O-])CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1	605697564	KDHIASPFJAGSRF-QPLCGJKRSA-N	421.968	6.228	50	40	HKGB	
ClCCN(CCCl)CCN1c2ccccc2Sc2ccc3ccccc3c21	1690559	HZORJLWDEIPPQX-UHFFFAOYSA-N	417.405	6.222	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1C	1782589	RHHGQDDDDBIJNQ-MMDHUZEPSA-N	410.901	5.118	50	40	HKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	3109526	SUFONNJNIGPUHF-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
Cc1cc(C(=O)N/N=C2\CCCC[C@H]2C2CCCCC2)c(C)n1-c1ccc(F)cc1	12602275	NGSALRCXPVHWPG-ZIFYCWIVSA-N	409.549	6.090	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1Cl	28217393	NNBVCGFMGISUCT-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c1	39884502	MNMXWXDEYAOFMF-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
CCN1c2cc(C)c(/C=N\NC(=O)Nc3ccccc3OC)cc2[C@H](C)CC1(C)C	208325319	KGVWMEADIFDOHR-WZJLVRHISA-N	408.546	5.271	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1	209280683	WGLXMVQNCQPYDJ-CEZZIEKDSA-N	416.908	5.703	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)cc1	260572701	XXNBFZAULCMUCC-VXIUPONVSA-N	421.972	6.170	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	408788915	NBIMXASMBKEBOX-RIYZIHGNSA-N	403.265	5.112	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)c(Cl)c1)c1cc2cc(Br)ccc2o1	408854346	CXGSLRGJWNKJTI-ZBKNUEDVSA-N	412.070	5.266	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408861088	MOBPBIPJZCSLCE-AFUMVMLFSA-N	424.953	5.470	50	40	HKGB	
O=C(N/N=C\c1cccc(Cl)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl	408970603	JCCACXRNYGIDSW-YXSASFKJSA-N	418.132	6.279	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2cccc(F)c2)cc1)c1cc2cc(Cl)ccc2o1	409023779	PMEHASZVGQCCJZ-ZMFRSBBQSA-N	422.843	5.568	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nn2c(C)ccc2C)c1C	409379362	WKGWRZCCZCEZFC-JAIQZWGSSA-N	406.917	5.152	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	2263947	OPIGJAOXPJLDIJ-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
CC(=O)C1=C(C)NC(SCc2ccccc2C)=C(C#N)[C@H]1c1ccccc1[N+](=O)[O-]	13282360	UMVFRMBUCKSHJT-JOCHJYFZSA-N	419.506	5.122	50	40	HKGB	
CCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2s1	32520718	STMHQIKEYLNJDM-HYARGMPZSA-N	413.568	5.108	50	40	HKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccc(F)cc1)c1ccc2ccccc2c1	408549870	APHNUAILJGBNFD-KQWNVCNZSA-N	422.459	6.061	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1	408581665	YNNMPPIEFCPBKI-FYJGNVAPSA-N	416.908	6.039	50	40	HKGB	
CCOC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2cccc(Cl)c2)c1C	408598980	MQDVFFNXNHBDHP-MOSHPQCFSA-N	404.897	5.988	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	408737633	FJEPGLGAHPMANX-BOPFTXTBSA-N	417.377	5.368	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C	408744833	NKXKLSMNNWMYRJ-UNOMPAQXSA-N	419.912	5.610	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C	408852377	KBSHWPBALYWMGD-MXAYSNPKSA-N	421.884	5.266	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Br)cc1)C(=O)Nc1ccccc1	408869475	SGNXTHBUGVENAY-HMMYKYKNSA-N	417.306	5.586	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(F)cc1	408872540	FZOJNMHRWKMPJW-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2F)c1	408937172	MSXDMCQSXZUMOQ-ODLFYWEKSA-N	420.871	5.912	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)cc1	409361035	GKKNPPNYQMRYRW-QQXSKIMKSA-N	406.913	5.174	50	40	HKGB	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)c3ccccc3n2)cc1	2759790	DSEYHSPUZWZXOZ-CVKSISIWSA-N	415.880	5.328	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1	4746751	ROKONMGGLKXEEZ-CVKSISIWSA-N	401.897	5.415	50	40	HKGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	5021949	MVLTZMGWSYOANB-BKUYFWCQSA-N	402.519	5.998	50	40	HKGB	
O=C(NN=C1CCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	20240629	YGKFVLOMRNMVTC-UHFFFAOYSA-N	403.570	5.191	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1C	28217428	JRAPUYFQZIXKTO-WYMPLXKRSA-N	424.888	5.036	50	40	HKGB	
CCCCCCCCC(=O)[C@@H](C=C(C)C)P(=O)(c1ccccc1)c1ccccc1	98175069	OXAUEEWMXMZJLE-AREMUKBSSA-N	410.538	6.655	50	40	HKGB	
Cc1ccc(NNP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104075049	XVMDEONYSLIGDA-UHFFFAOYSA-N	418.908	5.510	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1O	106156520	WFLRFGJKVFENSG-VGOFMYFVSA-N	412.287	5.111	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208458204	QIPCGAYMERLNRD-BRJLIKDPSA-N	416.352	5.697	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1	408776988	SXPLMNISNKJLAE-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1F	408895723	NYMYSNXGEUUINI-LICLKQGHSA-N	424.834	5.743	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)cc2)cc1	409248286	PDKQVRDETCMHSE-BWAHOGKJSA-N	410.517	5.230	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCc3ccccc3)o2)c(Br)c1	1206541	ONFIDLZTMBFRCQ-SFQUDFHCSA-N	421.294	5.241	50	40	HKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	1454891	CODDMKHOSFPYPY-GZTJUZNOSA-N	418.301	5.900	50	40	HKGB	
O=C(CC(O)(c1ccccc1)c1ccccc1)NN(c1ccccc1)c1ccccc1	2251642	AIEDMOHNAFNETI-UHFFFAOYSA-N	408.501	5.182	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccccn1	6083947	MQOVJEHELHUCQR-ZTKZIYFRSA-N	421.500	5.482	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	13763990	BBLNVSWHPQZBLW-WJDWOHSUSA-N	411.324	6.035	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3Cl)n2)cc1	13774601	XOHWMVORFFJJTC-RAXLEYEMSA-N	402.306	6.102	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3)n2)cc1	17186375	BDQMCHXBFLLKNS-KAMYIIQDSA-N	412.312	5.558	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)c(C)c1	20194588	LHQSOGRTUPEGIP-LQKURTRISA-N	409.533	5.308	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1ccc(Cl)cc1Cl	408579256	FKDHZAZUAXQSQD-WOJGMQOQSA-N	424.283	6.335	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1	408579408	HASKDVFCEQIVMW-DEDYPNTBSA-N	423.921	5.789	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)Cn3cnc4ccccc43)o2)cc1Br	408691531	CGPKAWVUYBAOKX-YBEGLDIGSA-N	418.294	5.974	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1	408850741	DNSBGUONWAAGGQ-ONUIUJJFSA-N	424.460	5.125	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1	409242258	QECOZDBSTNDPNB-SWEXZPIWSA-N	418.949	6.276	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(OCC)c1	650394	VDMPBJYSXQFYQZ-MFKUBSTISA-N	402.450	5.147	50	40	HKGB	
O=C(CBr)c1ccc(OC(=O)c2c3ccccc3cc3ccccc23)cc1	2572108	QHXHFBODVCCJIP-UHFFFAOYSA-N	419.274	5.790	50	40	HKGB	
CN(C)c1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1	4561516	PSFUJYUSGYXBLP-LFIBNONCSA-N	408.914	5.075	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	9262931	MSILRGYAVKNRKX-FSEGOYHTSA-N	403.309	6.025	50	40	HKGB	
COc1ccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1	27585338	LNEYBKXWVPSZCH-UHFFFAOYSA-N	406.917	5.547	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	34838935	OMKPINITZOLGRK-GRRFOWRYSA-N	419.308	5.725	50	40	HKGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@H](Br)C2=O	100868206	UDOMTLSWGZGSJW-DQYPLSBCSA-N	419.146	5.091	50	40	HKGB	
O=C1Oc2ccccc2C(=O)/C1=C1\SSC(c2ccccc2)=C1c1ccccc1	104199820	LQAFJOXGTGBZNP-BSYVCWPDSA-N	414.507	6.006	50	40	HKGB	
COc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408568055	RXTBHTQDDVWWQM-WMZJFQQLSA-N	406.642	5.191	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Cl)c(Cl)c1	408587632	SPFDWZNWTLOOJY-XYOKQWHBSA-N	409.099	7.624	50	40	HKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	408787465	AMROTLMTLNRRIV-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	408799337	YPCPIVXXRDUOLY-DTQAZKPQSA-N	408.910	6.192	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)cc1	408854768	AWKIPRMPJGAVNY-VULFUBBASA-N	406.913	5.608	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1c(Cl)cccc1Cl	408882787	SFPONUACZYMHFF-SAPNQHFASA-N	417.336	6.498	50	40	HKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2C)c1	408967384	QGPXDDNTZYMIQA-MOSHPQCFSA-N	410.477	5.211	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)o2)c1	408989338	HKINIBCAAAQPCB-NBVRZTHBSA-N	411.486	5.833	50	40	HKGB	
Cc1cc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1	898841	SDOBLPQLTBEZII-NRFANRHFSA-N	411.892	5.876	50	40	HKGB	
Cc1ccsc1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2	1058102	DUAIEUXHAGFAJU-LJQANCHMSA-N	423.969	5.651	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(OC)cc3OC)n2)cc1	4817163	SZRXWARHZOYVSX-SSZFMOIBSA-N	407.495	5.203	50	40	HKGB	
N#C/C(=C\Nc1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1	6088191	CHCVLNGZVNCXJI-UKTHLTGXSA-N	421.227	5.263	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OCC	6429490	FGOBYPUGHWZQSH-XDJHFCHBSA-N	408.498	5.209	50	40	HKGB	
CCCCCC(=C\c1ccccc1)/C=C(\C#N)c1nc(-c2ccc(F)cc2)cs1	44835340	PXNPABYRLMZXQU-RQRAPYSXSA-N	402.538	7.520	50	40	HKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4ccc(OC(F)F)cc4)nc(O)c23)C1	96669419	CUPSTAAKILIBSF-NASPGAHYSA-N	413.449	5.187	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/C#Cc2ccccc2)cc1	100969279	OLIFAPGEIFKWBM-SZXQPVLSSA-N	404.554	5.973	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Cl)c1OCC(=O)O	408587050	PQGGYGHIZAYEPG-QCDXTXTGSA-N	412.656	5.183	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1	408796950	QLGBXCPHDFSDBY-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc2c(c1)OCO2	409366754	XYTUYUQTYDRLDF-QRVIBDJDSA-N	405.453	6.212	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(Br)cc3)c2)cc1	409369683	VMZKCASBWKXZQT-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)N(c3ccccc3F)C3=C2C(=O)CCC3)s1	706064	BUSNFOBDALBLIF-OAQYLSRUSA-N	421.541	5.489	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	2702323	DVHDGHNLSPSTGO-OVVQPSECSA-N	409.489	5.455	50	40	HKGB	
CCCCCOc1ccc(O[C@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2756949	GNFZZJKCUNQDBI-WNIQNGNASA-N	420.509	5.032	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1	6148895	IMZUFAAWAOIEEX-XFXZXTDPSA-N	417.679	6.452	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OC(C)C	16575564	BOBAKZCLDQLRGK-RIYZIHGNSA-N	412.287	5.185	50	40	HKGB	
CCCCCCCC[C@@H](Br)C(=O)c1cc(C)cc(Br)c1O	100932593	LILWLOYXVAKOFO-CQSZACIVSA-N	420.185	6.160	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2	101158250	GVHDCDKVQJQNKZ-OGIFFYTISA-N	417.940	6.097	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Br)cc1	408535603	ZAKKFBJEORAQNG-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1cccc(F)c1	408583437	UPWLAQMIFHZJSP-FYJGNVAPSA-N	403.453	5.876	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccccc1Cl	408599778	ZRAACZCJVLEDLN-ODLFYWEKSA-N	410.300	6.645	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408711804	LJMLFDSAPMFTPS-QQXSKIMKSA-N	422.912	5.011	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408745731	OOBJIWAOZJRXSV-JYRVWZFOSA-N	405.668	5.204	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	408749049	KPDQOQIKCAMYEB-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)o1	408792703	BMCNIZVRNXODDF-GZTJUZNOSA-N	401.422	5.326	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1C	408865591	CYTMXCBOTRKUKF-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
O=C(Oc1ccc(Cl)cc1/C=N\NC(=O)c1cccc2ccccc12)c1ccco1	409220370	XZTPPLNACJPHTM-QFEZKATASA-N	418.836	5.069	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)Nc1ccccc1	1409232	AEOULIDRZOIRAQ-XMHGGMMESA-N	411.892	5.889	50	40	HKGB	
Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3csc4ccccc34)c2Cl)cc1	2768510	SPKQOBBJYWIUGP-FOKLQQMPSA-N	408.914	5.121	50	40	HKGB	
Cc1cc(C)cc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1	4132171	XKLIECSTIZFXHQ-RPPGKUMJSA-N	416.399	5.111	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)nc2c1	5387301	XVSNRWHGSMSCIV-UKTHLTGXSA-N	404.813	5.757	50	40	HKGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)c1nc(-c2ccc(Cl)cc2)cs1	40139787	ZMMFYZXMUKCOLH-NTEUORMPSA-N	406.923	6.046	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC	59296897	UUYLUXZYJUYZCD-SFQUDFHCSA-N	413.315	5.346	50	40	HKGB	
c1ccc([C@]23C[C@H]2COP3(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104194434	BXVSDQHJARXQCQ-RBJSKKJNSA-N	408.481	5.377	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc(Cl)c(Cl)c1	408588308	VNOXJFOJSKZZQP-GHXNOFRVSA-N	419.651	6.879	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccccc1	408793244	DJKFGTHJEFJVPS-JJIBRWJFSA-N	404.469	5.964	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3sc(C)c(C)c3C#N)c2C)cc1	408852900	XCZPOLNZFZIDRU-JAIQZWGSSA-N	414.534	5.498	50	40	HKGB	
N#C/C(=C\c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1	409091561	RJTSROVUQVMZGB-SFQUDFHCSA-N	410.351	6.470	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	1424684	KAOSFTXLIJLGPR-GOSISDBHSA-N	401.249	5.068	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CCCC2	1940196	ALYILYVMLJHSEJ-QGOAFFKASA-N	422.550	5.473	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@@H]2CC2(c2ccccc2)c2ccccc2)cc1	6997711	HKTPGWKMFVCVLI-JJBJMVQMSA-N	412.533	5.322	50	40	HKGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1ccc(Cl)cc1Cl	40139620	DGRWHQCQJJWRAC-YRNVUSSQSA-N	401.278	5.058	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(Br)c(N4CCCC4)o3)[nH]c2cc1C	59249296	GLVJLADLEXIXMS-ZROIWOOFSA-N	411.303	5.200	50	40	HKGB	
C[Si](C)(C)O[Si](CCc1ccccc1)(O[Si](C)(C)C)O[Si](C)(C)C	198493884	UWPPXTSMFUQOBA-UHFFFAOYSA-N	400.816	5.723	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OCC)c2)cc1Cl	408747047	YKAPJNYFKDUPRH-DHDCSXOGSA-N	417.292	5.503	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1	408815186	RTQJHUFLRQXKBN-YBFXNURJSA-N	410.300	6.645	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(C)c(C)c2)c1	408816238	YBMVWYZDLXMDIS-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)o1	408996583	QEJDOWOPWNVIRO-PCLIKHOPSA-N	421.566	5.323	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	409363862	OEAOTNSVYBXPSM-ZMOGYAJESA-N	401.293	5.509	50	40	HKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1F	4135178	PFIMSERCYZTCQR-PTNGSMBKSA-N	403.438	5.341	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(F)cc1	8812281	UIVOOOXXFWMXTL-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)[C@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OCC	28632495	QIBBAULVNPPRLU-OYQKTGNTSA-N	408.542	5.035	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(OCC)cc2)cs1	90427169	UOKJLQFKKHLOJB-VKAVYKQESA-N	419.506	5.362	50	40	HKGB	
CCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	98210399	NEOGUXPCNJGTPD-MRVPVSSYSA-N	408.139	5.983	50	40	HKGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2c1	408729102	XKHLNLOIMYLMJH-LSHDLFTRSA-N	404.322	5.092	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1cccc(Cl)c1	408761548	FYMHEJRRHIKROV-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c1	408871147	WERUILGONUDWMW-HZHRSRAPSA-N	414.936	6.402	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccccc1Cl	408884102	SPYUPNGKENVKCC-YSMPRRRNSA-N	422.912	5.390	50	40	HKGB	
COc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408963898	BDJZLTSIBQDDQS-QQXSKIMKSA-N	418.541	5.556	50	40	HKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl	409050148	ZLKXCMOTGCHGBB-CAOOACKPSA-N	403.309	5.252	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)C(=O)NCCCc1ccccc1	409238943	XIKHFMCRBOJTTN-SDXDJHTJSA-N	422.937	5.740	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1ccc(Cl)cc1	409344978	JVIKXBHVOWMEBP-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	409369321	KXKRDESEWLJPQH-XKZIYDEJSA-N	414.892	6.254	50	40	HKGB	
CCCCCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615259	CFRCTPNZOKRPHU-MEDUHNTESA-N	422.157	5.599	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)c2c(-c3ccccc3)noc2C)cc1	4710295	DOSAXUDEULZBRG-KOEQRZSOSA-N	404.514	5.040	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1Cl	4922738	KFSNWBJDHIUGCT-MRXNPFEDSA-N	413.905	5.007	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1	12564847	JPYQTIYPHKOIPB-AIZPKQFESA-N	400.856	5.327	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	40006608	JAYPIIXLBYNSIF-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2C(C)=CC1(C)C	208520990	ZXDNPWVFEOKOFV-XKZIYDEJSA-N	413.565	6.179	50	40	HKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1OC(C)C	213118269	KUAMUXXIRKDIQD-ZROIWOOFSA-N	405.281	5.335	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc4ccccc4c3)c2C)c(C#N)c1C	408598462	AXDYTDWLMULMFD-MZJWZYIUSA-N	410.477	5.093	50	40	HKGB	
O=[N+]([O-])c1ccc2nc(SSc3nc4ccc([N+](=O)[O-])cc4s3)sc2c1	8780896	MFCGAIPEIISLHT-UHFFFAOYSA-N	422.494	5.522	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1	13838622	VHRDDKGCCGQCAT-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1	59116918	IZRQQZKLBAOADJ-AQTBWJFISA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccccc1Cl	59117256	XAIKUPWIWVCQEX-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br	408549464	UAUJTTPYAPKASC-NDENLUEZSA-N	422.322	6.464	50	40	HKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)cc1	408813370	QSSOGVMWTBCBQF-BOPFTXTBSA-N	406.869	5.140	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C/c2cc(C)c(OCc3ccc(F)cc3)c(C)c2)cc1	408854592	JBGCBNAUMFRJJB-VULFUBBASA-N	405.473	5.486	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	409121389	WQNQCNJACIJXAO-YNYZQSIGSA-N	419.594	5.650	50	40	HKGB	
O=C(CCc1ccccc1)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	409136647	XZWVGPNUIILZMC-TURZUDJPSA-N	408.501	5.502	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc([N+](=O)[O-])c1	409392865	OEUILORPEFXVKZ-GRSHGNNSSA-N	404.397	5.386	50	40	HKGB	
N#Cc1cc([N+](=O)[O-])ccc1[C@H](Br)[C@H](Br)c1ccccc1	4266313	OSZGSUAGFFSIGF-CABCVRRESA-N	410.065	5.039	50	40	HKGB	biogenic
C[C@@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	5920383	OZYJRDBIZZJJSB-KSXCTLEASA-N	401.897	5.597	50	40	HKGB	
C/C(=N\NC(=O)COc1cc(C)cc(C)c1)c1ccc2c(c1)Nc1ccccc1S2	13029795	PECCBGAISACDOU-YZSQISJMSA-N	417.534	5.431	50	40	HKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1	15013742	KJCWUQHQZZCVKI-QGOAFFKASA-N	406.844	5.561	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2)cc1	59297124	LQDGWUUMWFQIEN-LFVJCYFKSA-N	418.496	6.273	50	40	HKGB	
N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccccc2)cs1	100843730	CKGPUZQHQRZYRU-JLHYYAGUSA-N	400.276	5.688	50	40	HKGB	
Cc1ccccc1-c1nnc(S[C@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)o1	103118186	ZODGTVZIUDOHRA-LKCUONQHSA-N	420.519	5.048	50	40	HKGB	
Cc1ccccc1-n1cccc1/C=C(\C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	108273482	QYBRDNCQIRFJRZ-GHRIWEEISA-N	412.518	5.143	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc(F)c2)c1)c1ccc(Br)cc1	408578742	ANULEMQZBNEZCY-YBFXNURJSA-N	408.270	6.231	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)c1ccc(Br)cc1	408579876	KYYNEEUSRRVPGW-CPNJWEJPSA-N	408.270	6.231	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)cc1OC	408582448	OEGMNTRSEZDLNH-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	408794308	RXGFMGWKXJWRPB-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2cccc(Br)c2)cc1C(C)C	408845508	FZLZYYXVPKVLHU-WSDLNYQXSA-N	403.320	5.044	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Cc2cccc(F)c2)c1	408870576	WOQPUZHXRICTOH-KGENOOAVSA-N	400.453	5.279	50	40	HKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409015625	CSFIMVNMULBVRH-XKZIYDEJSA-N	416.955	5.254	50	40	HKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccccc2)cc1Br	409046198	JMGMUHGMSWHJIG-RIYZIHGNSA-N	407.105	5.674	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409394400	ZYLDUSKDSPNUEF-SXGWCWSVSA-N	400.247	5.063	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12	942674	BZLXRIGBLNGHQL-QPJXPZJXSA-N	404.469	5.358	50	40	HKGB	
CSc1ccc(/C=N/NC(=O)c2[nH]c(-c3ccccc3)cc2-c2ccccc2)cc1	2134061	DSOKVGDLKCCIFW-YZSQISJMSA-N	411.530	5.835	50	40	HKGB	
CC/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccccc1	5864660	PKVWWCGJOHXIMX-WEMUOSSPSA-N	409.489	5.358	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1	8768867	HWGLCFAJMVTASN-RAXLEYEMSA-N	423.812	5.062	50	40	HKGB	
CCOc1ccc(/C(C)=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	20247393	OPHZDALZOHRJNQ-YZSQISJMSA-N	416.546	5.429	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1F	59534981	JXKLIVRZMPYDBS-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
CC(=C/c1ccccc1)/C=N/NC(=O)c1ccc(N/N=C/C(C)=C/c2ccccc2)cc1	96399220	DKCIZWQYJOZOAX-KGIUUXADSA-N	422.532	6.007	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3cccc(Cl)c3)o2)ccc1Cl	408598875	KQPSKQYUUHKHGE-WJDWOHSUSA-N	412.272	6.494	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	408793168	DGZHWTZFVVFDCF-SDNWHVSQSA-N	407.813	5.362	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408793661	PVVWRXZIOLZRIM-OQLLNIDSSA-N	421.840	5.671	50	40	HKGB	
CCCCCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccc(Cl)cc3)cc2)cc1	1950919	KTKUQYAYTASMSR-UHFFFAOYSA-N	420.940	5.815	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	4502207	XYVPKEBLOLMIMP-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)c1nc2ccccc2s1	6162812	CNYRDVNRLATTRE-LTGZKZEYSA-N	418.521	7.093	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1F	6342271	YOHVUHBIWXCBHV-UKTHLTGXSA-N	401.224	5.938	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1cccc2ccccc12	6537976	VTXVAMXFVKFEQJ-PXLXIMEGSA-N	413.517	6.340	50	40	HKGB	
BrCc1cc(Br)c(Br)cc1CBr	137286803	QOSUUORMRZRRJA-UHFFFAOYSA-N	421.752	5.001	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1cc(Cl)ccc1Cl	408549283	RXPDVJSNZCUDAQ-XKZIYDEJSA-N	417.339	7.618	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)c3ccc(Br)cc3)c2C)cc1C	408739581	CTUZSDKVKSTBSH-FYJGNVAPSA-N	405.339	6.538	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br	408753124	LOAGZZPMEKISBN-WOJGMQOQSA-N	421.294	5.547	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1	408892042	ABCFNPYLOHZVPQ-UKTHLTGXSA-N	423.812	5.062	50	40	HKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1	409047873	PWQVBFOMZJVTED-CAOOACKPSA-N	403.309	5.252	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc2ccccc12	6496607	JNFVPPBDJLGOFB-VBKFSLOCSA-N	400.821	6.726	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc([N+](=O)[O-])cc1	33343938	OSODBVVPMZBVHF-ATVHPVEESA-N	408.816	6.030	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)c1	59432825	JCQGDTZNBYFADB-LFVJCYFKSA-N	418.496	6.273	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Br	59433645	YGFXHMLCRYTOLK-SFQUDFHCSA-N	411.299	5.122	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc21	223507414	FMHSSRNRYLVZCM-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
CC1(C)[C@@H]([C@@H](Br)[C@@H](Br)c2ccccc2)CC[C@]1(C)C(=O)O	245239403	IPAYRHXWIXEEOF-UMPJEAMMSA-N	418.169	5.413	50	40	HKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408719896	OLSCQKOBKHLWMF-PTFSYIGCSA-N	404.535	5.038	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C	408808039	CVNYOXYTVICVBK-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1ccc(Br)cc1)Nc1ccccc1Cl	408857063	MQAXLKPVCIZDER-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
C=CCOc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	409030633	GYXJHJQOYHYAGB-OVVQPSECSA-N	407.473	5.231	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3CC)c2C)cc1	409187180	NCHYTPCVVDZUGZ-JWGURIENSA-N	413.521	5.601	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1	2090808	DWSKZSDCBHDILN-CVKSISIWSA-N	415.880	5.328	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)C	3277884	QAZAVMFGQIJNQO-OQLLNIDSSA-N	404.388	5.047	50	40	HKGB	
O=C(N/N=C(\c1ccccc1)C1CCCC1)[C@@H]1CC1(c1ccccc1)c1ccccc1	5584417	KJXUARYHNQRYPH-XLPMDEKGSA-N	408.545	5.703	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1	5863104	IJQPHJSKIVBXPI-CJLVFECKSA-N	415.512	6.122	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc(Cl)c1O[C@@H](C)CC	6160344	QLQXCCMFYDXAFT-HAKPAVFJSA-N	409.917	6.165	50	40	HKGB	
CCc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1	9187304	WDBLSTQVUFUIOC-HMMYKYKNSA-N	422.488	5.207	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1	59297007	PTWSEULEUGDUFW-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccc(Cl)cc1	104164726	IBVQVCUMDDMUQA-QYQHSDTDSA-N	421.069	8.052	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	408526143	AHRWGQNLZXDAMU-STBIYBPSSA-N	423.516	5.289	50	40	HKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccco2)cc1-c1cccc2ccccc12	408724211	HXHIMIIQQNWURA-WPWMEQJKSA-N	420.472	5.358	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)cc1	408760332	WTTVLMGBGKCLMU-WGOQTCKBSA-N	412.445	5.040	50	40	HKGB	
CCN1/C(=C/C=C/C2=CC(=C(C#N)C#N)C=C(c3ccccc3)O2)Sc2ccccc21	685944559	LZGDXFAPCIZXFY-GWDFSCDVSA-N	421.525	6.315	50	40	HKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	1185088	YGKDVNBQCSKPOC-CAPFRKAQSA-N	409.445	5.693	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	4071335	KNMUKTIFQMXVNJ-YRDQYSPCSA-N	402.494	5.060	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1cccc(C)c1	4672261	LDKFTFCBPOQWLB-BUVRLJJBSA-N	411.501	6.071	50	40	HKGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	4917472	YDUWCBVMGRJCAI-UHFFFAOYSA-N	404.809	5.683	50	40	HKGB	
Cc1cc(C2=NN(c3ccc([N+](=O)[O-])cc3)[C@@H](c3ccccc3)C2)c(CCl)s1	5111298	YNKOHNKTVGDZID-HXUWFJFHSA-N	411.914	6.059	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc4ccccc34)cc21	208246215	ILYIZMBZPPHUKX-WJGWSCHNSA-N	419.956	5.979	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c(C)c1	216049328	VHOXLTKTPQGDTR-OGLMXYFKSA-N	409.533	5.308	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	408885758	AGPFUUKCIYZPTI-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cccn2-c2cccc(C(F)(F)F)c2)cc1C	408931200	IJDRLVHUJJDHRW-MXAYSNPKSA-N	400.404	5.269	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Cl)c1Cl	409208522	CDUBLVCZGPIDCV-BOPFTXTBSA-N	412.276	6.373	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2	409359980	CTMXFGWGXYQPQP-NVMNQCDNSA-N	424.283	6.365	50	40	HKGB	
COc1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)s3)c3ccccc3n2)cc1	673549	QEOILDKTHUSVLF-ZVHZXABRSA-N	401.491	5.044	50	40	HKGB	
Cc1ccc(C)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	5091925	CKJUXQHMFKNBLP-GXDHUFHOSA-N	400.334	6.710	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1	12564853	JPYQTIYPHKOIPB-CWLSQAQVSA-N	400.856	5.327	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1	59116684	QECQRAKLKHPYNS-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1	59432728	AACIAXMFCBYWJG-HAVVHWLPSA-N	404.469	5.964	50	40	HKGB	
C[C@@H]([C@@H]1CCC[C@@H]1P(c1ccco1)c1ccco1)P(C(C)(C)C)C(C)(C)C	261361437	TXXOLTAZYVLMPD-FHWLQOOXSA-N	406.487	6.941	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1	408599758	KLNOTGBUUDYRSM-WGOQTCKBSA-N	403.526	5.164	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br	408742988	QZLFCEUSEIODGU-AQTBWJFISA-N	420.310	5.402	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1cccc(F)c1	408877629	WKDWOJYHXCMRRK-KGENOOAVSA-N	400.453	5.361	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc([N+](=O)[O-])c1	409045024	XLYSJWINSBSAOH-NTUHNPAUSA-N	420.252	5.236	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409060385	ZMAZODINIZZKFW-MKQJEUFKSA-N	412.533	5.695	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccccc1	409228483	APVABEDTWCICPV-FMNVXAMXSA-N	420.852	5.083	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccco2)c2ccccc2n1Cc1cccc2ccccc12	409371153	GKQWMIOMZPLCDW-JVWAILMASA-N	407.473	5.508	50	40	HKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C	3226654	VTJLNRSOHKYTLP-JFLMPSFJSA-N	415.468	5.159	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[nH]c2c1	4123681	QWNUDUVVXQLRGX-UKTHLTGXSA-N	404.813	5.757	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1OC	5525130	OTHUHRKFJFMJIP-CAPFRKAQSA-N	422.525	5.599	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)c2ccccc2F)cc1I	5976100	GYGXHTKSPOVEQA-UVTDQMKNSA-N	405.210	5.059	50	40	HKGB	
CCCc1cc(=O)oc2cc(OC(=O)/C(C#N)=C/c3cc(C)n(CCC)c3C)ccc12	7780244	IXYLYUMUVXUIAJ-UDWIEESQSA-N	418.493	5.086	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)cc2)cc1OC	408583405	UHTVNZVBVGIHMU-FYJGNVAPSA-N	415.445	5.045	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1C	408587461	GBRLFJPBXRSVRV-OGLMXYFKSA-N	409.533	5.557	50	40	HKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	408776193	UYXDHVHUETVQHF-WGARJPEWSA-N	423.944	5.147	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	408783473	LQRQTRCWDHJRFN-QINSGFPZSA-N	400.463	5.161	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1	408806622	FWWONXPYWDGZEU-XDHOZWIPSA-N	418.880	5.479	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)c1C	409008625	YWXXFCAVEWVLFQ-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl	409201118	LVPDRFZSLOGOTI-YSRRJJCPSA-N	411.354	5.413	50	40	HKGB	
ClCCN(CCCl)c1ccc(-c2csc(COc3ccccc3)n2)cc1	1704852	VDYMQBJZQMXSID-UHFFFAOYSA-N	407.366	5.673	50	40	HKGB	
C/C(Cc1ccccc1)=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	5725340	CMQWLAXAHCHYMA-OGLMXYFKSA-N	413.908	5.904	50	40	HKGB	
Cc1ccc([C@H](Br)[C@@H](Br)C(=O)c2ccc(Cl)cc2)cc1	101673937	XXMVXJKXJBKZRP-LSDHHAIUSA-N	416.540	5.731	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c2ccccc12	408745399	RMXCMKYYRXKPFE-QINSGFPZSA-N	407.267	5.157	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408805354	AKJSAAUXKTXZPW-HESIGYJKSA-N	408.929	5.521	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	408845274	VOLCNNLATRNECM-GGYPHYNPSA-N	408.929	5.521	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cc(C)cc(C)c1	408892393	AYDCBLPVQODQQQ-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)cc1	409067827	ZSIKRZNFDNLNDE-MFKUBSTISA-N	424.884	5.321	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2cccc(Cl)c2)c1OCc1ccc(C(=O)O)cc1	409184855	ONWAREZWFXALDR-NDENLUEZSA-N	419.864	5.690	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cc(Cl)ccc1Cl	409214834	UUYLKJDSRKKJFC-YVLHZVERSA-N	412.276	6.373	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc(Cl)c1OC(C)C	409390948	GIONNQPUCDKBBK-NVNXTCNLSA-N	411.889	5.475	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	867576	DBUOKZBZYKGPME-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc(Cl)cc2)cs1	1827815	ARFHVNTYMSZZQR-JLHYYAGUSA-N	403.841	6.041	50	40	HKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C1CCCCCCCCCCC1	5747963	KFFWPCCFXUAXEL-MRXNPFEDSA-N	413.389	6.538	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	5792361	ZOEGJSXOJKKXLH-SDNWHVSQSA-N	407.813	5.362	50	40	HKGB	
CCCCCCCCOc1ccc(C(=O)N/N=C/c2c(Cl)cccc2Cl)cc1	8427003	RKZZYMFTSCXLSP-PCLIKHOPSA-N	421.368	6.497	50	40	HKGB	
CCCCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)CC(=O)N1	12250585	QYSYVLYGHFERGP-LJQANCHMSA-N	422.550	5.146	50	40	HKGB	
N#CC1=C2SCN(C3CCCCC3)CN2C(=O)C[C@@H]1c1cccc2ccccc12	20238363	XUKJSFXFBMNCPA-OAQYLSRUSA-N	403.551	5.187	50	40	HKGB	
CCN(C(C)=O)c1nc(/C=C(\C#N)c2nc3cc(C(F)(F)F)ccc3s2)cs1	26226498	AOHOUNXDSWTXTH-IZZDOVSWSA-N	422.457	5.209	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc(C(=O)O)cc4)cc3)[nH]c2c1	33510355	FGBUKLKUYSTPSK-MOSHPQCFSA-N	409.445	5.213	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1	33620795	QCSPEHBIZDUJFG-ZHZULCJRSA-N	422.488	5.261	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1	96663187	IIJRARCEKGSRTN-JWGURIENSA-N	418.500	5.702	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc2ccccc2c1	408723213	RDJCBIAFDQSQTM-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	408746378	SFJXAJYAJYSIFR-ATVHPVEESA-N	410.304	5.947	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccccc1	408809445	HOBLDPXPVVVGGK-CPNJWEJPSA-N	403.312	7.061	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OCC(C)C	409044731	HNENBHRCZUJTGM-LZYBPNLTSA-N	403.309	5.882	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1c(Cl)cccc1Cl	409119549	WWUNXZNVGZUEDZ-QPSGOUHRSA-N	422.164	5.684	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc21	409368293	RHDCSGXECGARFD-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	1735435	VRBIEAXXLIBHTF-JUWMQZRYSA-N	418.500	5.688	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccccc3OC)c2c1	4544224	QOWMHQKTIFQDKF-JXAWBTAJSA-N	416.477	5.191	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(C(F)(F)F)c1	5072537	FCXGOCLPOSUQJM-GZTJUZNOSA-N	406.411	6.053	50	40	HKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)c1C	7942537	QQTPVCXPBNCSOT-HMMYKYKNSA-N	423.520	5.604	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@H](Br)C2=O	9164678	VOVBTBDAIMOLGY-JLZZUVOBSA-N	419.146	5.091	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccccc2c(=O)[nH]1	9348926	BJCDGFKHECPFCB-FMIVXFBMSA-N	408.244	5.554	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3cccc4ccccc34)cs2)cc1OC	16959944	BJFBCMNXFCWVKV-SAPNQHFASA-N	413.502	5.957	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccco1	33408142	XGQKQRONBAEJEC-DIBXZPPDSA-N	410.473	5.680	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117433	HLJPTYQYAMEHND-LCYFTJDESA-N	417.679	6.452	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2[C@@H](C)CC1(C)C	223535812	XIANATOOJMNJOD-BEWREHSGSA-N	421.972	6.306	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(C#N)c1	408568832	WXTVGWCCOGTFEV-NHDPSOOVSA-N	415.290	5.964	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	408582667	OQRMDPFCFBCZQE-DEDYPNTBSA-N	420.306	6.101	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1OC	408583035	RFCHXOIWCJYMRL-UDWIEESQSA-N	405.881	6.000	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1	408712017	VWJUWILNUIJRKG-QQXSKIMKSA-N	422.912	5.011	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c1	408829332	PIGVHIYZRSVGSS-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)C(C)(C)C	4502986	KNHWSUFTXIMFHS-NHFJDJAPSA-N	405.586	5.293	50	40	HKGB	
COc1cc(C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1	4503091	QPMCNTQHXNFMSX-UHFFFAOYSA-N	413.813	5.055	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(Cc2ccccc2)c1C	6201992	GEEATLXOPSQCNA-JVWAILMASA-N	411.505	5.079	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2cccc(Br)c2)cs1	8767888	GVXOJZHPBCUYJC-XFXZXTDPSA-N	418.266	5.827	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1OC	9090724	LWIBSJJEUKNFOY-LZYBPNLTSA-N	418.474	5.646	50	40	HKGB	
Clc1ccc(Br)cc1-c1nc2cc(CBr)ccc2o1	226317948	WNFMZWADRMQQRA-UHFFFAOYSA-N	401.485	5.806	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(OC)c2)cc1OC	408583695	WRVBSTLNJSMUKF-RGVLZGJSSA-N	419.452	5.495	50	40	HKGB	
CCCOc1cc(Br)c(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408584034	ZODZMDOHMZPJCJ-GZTJUZNOSA-N	416.315	5.709	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)cc1Cl	408599737	ZDMHWNHBYWCUPQ-YBFXNURJSA-N	418.953	6.589	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c(Cl)cc1OC	408790749	YEWWEFKVXDLXPY-VGOFMYFVSA-N	405.281	5.255	50	40	HKGB	
COc1c(Cl)cc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408791168	VCVIYDJLLPIPEY-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1C	409232662	BAFMXLJSTDYPKG-UQQQWYQISA-N	411.549	5.367	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc(Br)c1OCC	409364693	OTEKLQKAGMOMJB-CHHVJCJISA-N	416.271	5.039	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1	4922413	QLDOPAXMCLBVEZ-LJQANCHMSA-N	409.942	5.122	50	40	HKGB	
N#C/C(=C\c1cc(Br)c(Br)o1)c1ccc(Cl)cc1Cl	9323434	JEICYLDWWJWUFR-XVNBXDOJSA-N	421.903	6.176	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OC(F)F	15978512	BCFYWQDLIABLPK-YRNVUSSQSA-N	413.207	5.149	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc2ccccc2c1	408548682	LCPSRPZSGDALCY-JLPGSUDCSA-N	418.927	7.560	50	40	HKGB	
N#C/C(=C\c1ccc(Br)s1)C(=O)Nc1ccc(Cl)c(Cl)c1	408794291	RWRYPPDNFFABBZ-VMPITWQZSA-N	402.100	5.363	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4cccc(C)c4)c3C)cc2c1	409184775	NKGCHLAIZZZSIN-YSMPRRRNSA-N	415.493	5.311	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccc(Cl)cc1	409323257	MUZAHMSLVZZJBX-HNNXBMFYSA-N	423.752	5.919	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)cc2)cc1	409393749	ZWABDISNDTUEHD-STBIYBPSSA-N	423.516	5.289	50	40	HKGB	
N#C/C(=C\c1ccccc1Oc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	2775619	GKEBAARXELANDT-GHRIWEEISA-N	408.379	6.043	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)c(OC)c1	4318494	BNLABSVYKCMRFG-WOJGMQOQSA-N	419.506	5.158	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	4498245	JMDNSBCKBAFIBJ-UYRXBGFRSA-N	419.912	5.692	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	4821811	VLWQVKJAXFKPMO-PKNBQFBNSA-N	406.725	6.747	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	17286315	IBACUSOBNPMUJW-GHRIWEEISA-N	423.925	6.007	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)c1	59201308	NJTZAPGDTDXRBM-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
S=c1sc2c(s1)S[C@@H]1C[C@@H](Br)[C@@H](Br)[C@H]1S2	101463574	WLRYZLICTXBSLV-AIHAYLRMSA-N	422.279	5.405	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OC	408539961	KYQZFAOZXIGJSL-ITYLOYPMSA-N	404.510	5.571	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1Cl	408549757	YKDSHGWPEOHEPA-XKZIYDEJSA-N	417.339	7.618	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)o2)ccc1OCc1cccc2ccccc12	408728734	SDTRUFGJPZNGFE-CVKSISIWSA-N	414.461	5.093	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)cc1	408793637	FYLOXZLPZQVJFC-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1cccc(Cl)c1	408861682	FLRYVEBOJMPTFQ-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1	408887286	NJYRTFIBRPJGOQ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3cccc(Br)c3)cc2)cc1	409238703	NMBLXQLSGURXEB-UYRXBGFRSA-N	406.348	6.973	50	40	HKGB	
N#CC(C#N)=C1SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1	18177092	MLADKRXBDKHQRM-YJZCZVOBSA-N	405.486	5.959	50	40	HKGB	
CCCCCCCCCC[C@@H](Br)C(=O)c1cc(C)ccc1OC(C)=O	100931361	FJTCPGTXNAIAAY-LJQANCHMSA-N	411.380	6.397	50	40	HKGB	
O=P(Cl)(Cl)C12CC3C[C@@](Br)(C1)C[C@@](Br)(C3)C2	101051832	STCISZFNVRSMJE-ZNHWEVIXSA-N	410.901	5.661	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc21	208475071	QHVTXPICQDESRJ-GRSHGNNSSA-N	405.929	5.195	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC2CCCC2)ccc1OCc1ccccc1Cl	209280135	MDTIEXSAZQDASA-UYRXBGFRSA-N	424.928	5.283	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Cl)c(Cl)c1	408585417	DDKREVXWCYVGHQ-LFIBNONCSA-N	422.340	6.972	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2c3ccccc3cc3ccccc23)c1	408785275	XWOOIYCAZOSGQE-QNGOZBTKSA-N	406.485	6.326	50	40	HKGB	
Cc1sc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)c(C#N)c1C	408850017	CUFHELKURNEIQN-ROTLSHHCSA-N	416.506	5.154	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1	408859375	WMJRPNAAHOQXHP-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])c1	408883430	RCHGUDDCFQZEPA-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccsc3)c3ccccc3n2)cc1	2109893	CEOXXNWETXPPQM-CVKSISIWSA-N	413.546	6.025	50	40	HKGB	
CC(=O)N/N=C/c1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1	4600335	FSKUQBPMABOPHU-PCLIKHOPSA-N	414.933	5.316	50	40	HKGB	
Cn1c(C(=O)N/N=C(\c2ccccc2)c2ccc(Cl)c(Cl)c2)cc2ccccc21	9113795	OWPYPGLTSYIQDW-XTCLZLMSSA-N	422.315	5.668	50	40	HKGB	
Cc1ccc(N2C(S)=C(C#N)C(=O)N[C@@H]2c2ccc(-c3cccc(Cl)c3)o2)cc1	16807371	VBKDNNGZNVOLBK-FQEVSTJZSA-N	421.909	5.208	50	40	HKGB	
CC(C)c1ccc([C@H]2CC(=O)N3CN(Cc4ccccc4)CSC3=C2C#N)cc1	20238216	ZFXQPUIOKNPWBT-OAQYLSRUSA-N	403.551	5.025	50	40	HKGB	
FC(F)(F)c1cccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c1	98005796	ABGIIVDTVYFQMK-UHFFFAOYSA-N	421.402	6.515	50	40	HKGB	
C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2CC[C@@]1(C)C2(C)C	100757786	LTVYYZVESNBABP-BTZRARBUSA-N	404.591	6.000	50	40	HKGB	biogenic
COc1ccc([C@@H]2CC(c3ccccc3)=C(C#N)C(=O)[C@H]2C(=O)c2ccccc2)cc1	103114095	ZKMAEMWRXOFJJS-UKILVPOCSA-N	407.469	5.228	50	40	HKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(C)C)cc2)o1	252500517	SXCHEKTULYMYRK-NBVRZTHBSA-N	414.461	5.402	50	40	HKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21	257198775	IBUFIYXHQCZETR-OZOVBHBASA-N	420.688	5.122	50	40	HKGB	
COc1ccc(CC(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260569995	TXASVDGWDYUISZ-AKALQGJJSA-N	421.585	5.197	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1	408580178	AZVHVWMZZOANEL-FYJGNVAPSA-N	419.908	6.390	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)cc1	1439427	OKBDIWGBZWIAGS-PXLXIMEGSA-N	410.473	5.377	50	40	HKGB	
CCOc1c(/C=C(/C#N)C(=O)OC)c2ccccc2n1-c1c(Cl)cccc1Cl	13750020	IZAQSWOCGXSNNN-QBFSEMIESA-N	415.276	5.416	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	59117218	LRQRIXIOBJLUMP-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1cccc(Cl)c1	59401531	BTMMLTDLVBWBDV-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
C/C(=N/O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	103438736	KMBAZBGFHSLASV-MEFGMAGPSA-N	410.457	5.694	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1C	207055911	VOTFYLRIPBOKMO-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc21	208454744	XCZYOMQKROCNMX-WQRHYEAKSA-N	405.929	5.826	50	40	HKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)NN=Cc2c[nH]c3ccccc23)cc1	245241999	VYVXTUCYSMDSLK-UHFFFAOYSA-N	411.505	5.023	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccc(O)cc1	408793403	FDROPOVVMKSXGA-XQNSMLJCSA-N	420.468	5.670	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3C)o2)cc1Cl	408981275	ACOVNRCMFIPING-SXGWCWSVSA-N	420.852	5.461	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409183385	BOTYYBKDEPRSQM-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)NC(=S)N1	409369775	WQILCTKTAQCRFV-IBGZPJMESA-N	411.958	5.262	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	2801639	HHDFNPLCDKJOBR-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	5750460	LUGLKECNYZDFHD-FOKLQQMPSA-N	407.684	5.600	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	15012231	CIKDWAZASZYSRZ-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
Cc1ccc(-n2ncc(C(=O)NNc3ccccc3C(F)(F)F)c2C(C)C)cc1	40080094	AERMNRJQFHXIDA-UHFFFAOYSA-N	402.420	5.080	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc(C(F)(F)F)cc1	59302096	KSCWNEKPVKDAIT-QINSGFPZSA-N	417.228	6.323	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)c3cccc(Br)c3)cc21	208455581	ZJQYLXRYHGAUOF-GRSHGNNSSA-N	407.355	6.453	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408804037	CHLDQAHWIICVEE-IZQUAUAFSA-N	403.309	5.855	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408809938	ISPRBLVADJMCSF-QGOAFFKASA-N	404.897	6.136	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)o1	408982151	GGOBNSQVIPAOEX-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1Cl	408983184	FYEKDXRBIVHROI-NQMHRUMFSA-N	416.868	6.315	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c3ccccc32)c1	408996668	MHPFIXKDDAXTFJ-UNOMPAQXSA-N	417.339	7.369	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	4784482	XJEKLCOAKYENSM-AYQSFACRSA-N	416.521	5.308	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(CSc2cccc3cccnc23)cc1)C1CCCCC1	13140405	KKAUGAMJYGFEIQ-IMRQLAEWSA-N	417.578	6.213	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)cs2)cc(Br)c1O	31904627	YQRKTBNESOUTNI-AUWJEWJLSA-N	413.296	5.351	50	40	HKGB	
CCN(CC)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	33346398	CLTRRJMDVFAPPX-USHMODERSA-N	422.532	5.512	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c(C)c1	59201802	VQKNRGYGTGPDGB-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2F)C2=C(CCCC2)C1(C(F)(F)F)C(F)(F)F	100085799	IGIJSKNQHSZMCV-UHFFFAOYSA-N	405.317	5.279	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1Cl	408589916	NMHQHQQXXPPARU-JFLMPSFJSA-N	415.924	5.973	50	40	HKGB	
Cc1c(/C=N/NC(=O)CCc2ccccc2)c2ccccc2n1Cc1ccc(F)cc1	408590874	QXNFLYRAZNCXRP-OGLMXYFKSA-N	413.496	5.220	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408963773	ASJOXXLJMRDBOB-JVWAILMASA-N	417.553	5.473	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1	409233637	GXTHIHWZZMYUDL-BWAHOGKJSA-N	411.549	5.313	50	40	HKGB	
C/C(=N/NC(=O)c1cccc(C)c1)c1cccc(NC(=O)c2ccc(Cl)cc2)c1	4646923	QOHWVXOIUGYIMX-QQXSKIMKSA-N	405.885	5.055	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccccc4CC)CSC3=C2C#N)cc1	4922868	QCEQTPUJSGTXPO-HXUWFJFHSA-N	403.551	5.031	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	5379984	KXVQFIVOQPXAQW-WPWMEQJKSA-N	416.521	5.092	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC(F)F	9339459	XUUTXYYWFPVSLG-IZZDOVSWSA-N	413.207	5.149	50	40	HKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	13882106	OGWDCFIYUCHMPR-NAXQRJDYSA-N	417.896	5.411	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21	208202206	WZTWCPALQUNDPN-JIAMHWFNSA-N	417.475	5.120	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1	208241393	UHLJLAZVKSCRJK-HAKPAVFJSA-N	423.944	5.616	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OC(C)C	408798503	JAFBFVUVINTPAZ-VIZOYTHASA-N	419.308	5.643	50	40	HKGB	
CC(C)COc1ccc(/C=N/NC(=O)COc2ccccc2Cl)c2ccccc12	408915184	PMMFNTKLNOTKPT-DHRITJCHSA-N	410.901	5.057	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1C	408995584	BGSOVOMIQIIIIG-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
O=C(Nc1ccc(Cl)cc1)[C@H](Br)Cc1ccc(Br)cc1	1453028	KSQRJAYFYDAPHE-CQSZACIVSA-N	417.528	5.047	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc(C)c1Cl	3039966	ZRTIFRPXYQQXTH-MZJWZYIUSA-N	416.908	5.792	50	40	HKGB	
CC(C)[C@@H]1C[C@@H](C)CC[C@H]1OC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2	4031857	XDESLZPXEGCJAM-KNTHIECLSA-N	411.424	5.970	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2cccc3ccccc23)cs1	4996088	LFAPWPHXTWRMNG-SFQUDFHCSA-N	406.432	7.046	50	40	HKGB	
CC(C)(C)[C@@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccccc2)[C@@H]1Cl	26787282	SUDPZJQIHDPTGK-BYACCURGSA-N	407.124	5.171	50	40	HKGB	
Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)c2ccccc2)cc1	27020728	GKXQWGIIQYBUHP-UHFFFAOYSA-N	416.571	6.311	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1	59505975	UFDACCXKQNNDLF-ZMOGYAJESA-N	420.340	5.376	50	40	HKGB	
Cc1nn(C)c(C)c1Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	79495017	LYSQHJAYQZKISW-LJQANCHMSA-N	403.617	5.280	50	40	HKGB	
Br[C@@H]1[C@@H](SS[C@@H]2[C@@H]3CC[C@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100695576	GDJQKRKZFGZASH-SLSSAEIFSA-N	412.256	5.492	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c1C	260562726	BMSFSWHHSQEDFC-DZGUVLCISA-N	421.972	6.225	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1C#N	408544411	SVLMDODRKJBAKS-QRVIBDJDSA-N	424.456	5.298	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Cl)cc1Cl	408581756	ZEDSRPKVOGYQDB-LICLKQGHSA-N	414.719	7.290	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)Cn1cnc2ccccc21	408691958	ZYFLHAASYLDTMZ-JWGURIENSA-N	415.496	6.376	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	408760335	WXPDRHXFOYYNTR-MOSHPQCFSA-N	403.913	5.856	50	40	HKGB	
COc1cc(C)c(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1C(C)C	408849649	XIRDUSUCXBFTCU-CVKSISIWSA-N	403.526	5.298	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1	409023869	LGVTYPYJNWMRBO-SRZZPIQSSA-N	407.347	5.970	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1cccc(Cl)c1	409069737	WAEULTCIOKFIBG-OEAKJJBVSA-N	415.920	6.720	50	40	HKGB	
CCOc1ccc(NC(=S)SSC(=S)Nc2ccc(OCC)cc2)cc1	3182348	MOMGEIZUDCRKSX-UHFFFAOYSA-N	424.638	5.959	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1cccs1	5781526	NWLGPPJDSYRNND-PCLIKHOPSA-N	401.491	5.029	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	5928497	FXTJXHLOANHQRD-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)NN=C(Cc2ccccc2)Cc2ccccc2)cc1	6364029	JRTWUBLTIVGRGC-UHFFFAOYSA-N	414.549	5.321	50	40	HKGB	
CCCCCCC/C(C)=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1	97982293	FSPOBQTYNGFXFT-LGUFXXKBSA-N	414.977	6.694	50	40	HKGB	
CCCCCCCCCCCCc1ccc(/C(C)=N/NC(=O)c2ccc[n+](C)c2)cc1	104183231	LSSCFFOKHKMCEO-WEMUOSSPSA-O	422.637	6.129	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1	107997268	XJYLWBZCSCZZPO-XKZIYDEJSA-N	414.461	5.945	50	40	HKGB	
C[C@@H]([c-]1cccc1P(C(C)(C)C)C(C)(C)C)P(c1ccccc1)c1ccccc1	206531689	ADRPYIBXATYKPJ-NRFANRHFSA-N	421.525	7.304	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc21	223482429	YMGWGRCCKUPIQR-NDENLUEZSA-N	421.382	6.924	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[C@@H](C)CC1(C)C	223529336	CEKKMRZJWHIFTD-DCMOEJRUSA-N	415.537	5.421	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(OCc3ccccc3)ccc3ccccc23)cc1	408785807	ZOGOMIYCALTCCZ-QJOMJCCJSA-N	418.496	6.273	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C)c(Br)c3)o2)n1	409388882	XCKUHLUQQGUAAP-CXUHLZMHSA-N	410.271	5.078	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)o1	3226482	SBTILYAADUVOGX-WSDLNYQXSA-N	407.520	5.254	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2c(Cl)c2ccccc12)c1ccc2ccccc2n1	3254952	ZNTANRMYRGKFEO-JFLMPSFJSA-N	409.876	5.959	50	40	HKGB	
N#C/C(=C\c1c(Cl)nc2sccn12)c1nc2cc(C(F)(F)F)ccc2s1	12558379	GRJRKVNPSHLXHV-VMPITWQZSA-N	410.833	5.742	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1	13764809	RPYUYBXIOLXLIV-HEHNFIMWSA-N	420.468	6.593	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c1	28215962	KEPYXGFFSOVOEJ-LGJNPRDNSA-N	423.557	5.234	50	40	HKGB	
CCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	100703095	QAVPBNLIDXDOPJ-HSZRJFAPSA-N	416.546	6.288	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccccc1Cl	108279274	UNQCVUMSHTVNNJ-NDENLUEZSA-N	419.864	5.690	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1	209405727	DDDVAMNSUYCRME-VXLYETTFSA-N	412.291	7.084	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408793364	FCZHBYPKBMVSLD-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
BrCCN(CCBr)c1cccc(/C=C/c2ccccc2)c1	1557987	HRQFZMXSZCXOSJ-MDZDMXLPSA-N	409.165	5.453	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2)cs1	4135197	BPJKBNWGMKPQJZ-FMIVXFBMSA-N	400.822	5.487	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccccc1Cl	4524308	ITAKLQYHPFGBQF-CPNJWEJPSA-N	424.928	5.283	50	40	HKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2s1)c1ccc(Cl)cc1Cl	5031496	SUAHVNAEQSUOHB-FBHDLOMBSA-N	410.351	5.236	50	40	HKGB	
O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1)c1ccc(O)c(CCCl)c1	12939592	PJNPVJOYXXRRDK-RMKNXTFCSA-N	413.882	5.706	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3)o2)cc1	23411075	MKXRMVPHIMQZFQ-QFEZKATASA-N	410.901	5.427	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)c1	408818281	PISTVIPHPUOPKY-DICXZTSXSA-N	407.473	5.508	50	40	HKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)NCCc1c[nH]c2ccccc12	408946551	AOEQIVSPEARAKZ-JWGURIENSA-N	415.496	5.740	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N\NC(=O)c2cc3ccccc3o2)cc1OC	408950745	UFECQFWKAUDCFA-JFVYAULHSA-N	400.862	5.036	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)c(C)n1Cc1ccccc1	409021396	FOEBZJPZDUIMGN-MXAYSNPKSA-N	405.885	5.317	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccccc1Cl	857783	ZXXNLFDIYKZCKF-BUVRLJJBSA-N	411.958	5.380	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)cc1	1912689	HGLTYSVQHHUGSR-XSFVSMFZSA-N	417.534	5.761	50	40	HKGB	
Cc1ccc(C(=O)CSC(Nc2ccc(Cl)cc2Cl)=C(C#N)C#N)cc1	2313374	VFROJUOZHANENR-UHFFFAOYSA-N	402.306	5.589	50	40	HKGB	
COc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)c3ccccc3n2)cc1	2761992	OGYGOGSQUQETFI-MPCPQKGKSA-N	407.473	5.339	50	40	HKGB	
CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N/N=C\c1c2ccccc2cc2ccccc12	6782557	NVAQMBCHVWXZDG-IDLGODMKSA-N	411.332	6.034	50	40	HKGB	
C[C@H](c1ccccc1)N1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1	20348121	QJCMPYCCQIBKQI-DNVCBOLYSA-N	409.942	5.116	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/C2=Cc3ccccc3O[C@H]2C)nc1-c1ccccc1	34982818	KPZFOEVDZBUCON-NPRIEWAGSA-N	413.502	5.540	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)cc1	55082653	FLKYLXGFZOTGEN-SFHVURJKSA-N	414.553	5.227	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1	59137901	PTLZNTFOIZWRTD-VBKFSLOCSA-N	408.910	6.247	50	40	HKGB	
COc1cc(Br)c(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OC	408581351	WIGIVYAISGCTJU-VZUCSPMQSA-N	413.098	5.837	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)c1ccc(Cl)cc1Cl	408581451	WYHUXVAHVQDVMJ-GZTJUZNOSA-N	414.719	7.290	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1	408583218	SMQJHAARSSBCHX-DEDYPNTBSA-N	420.306	6.101	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1[N+](=O)[O-]	408880018	GPZPIUQSUUBKMB-NBVRZTHBSA-N	423.469	5.108	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2c(O)c(C(C)(C)C)cc3oc4c(c23)CCCC4)cc1	2276260	YWCVPTIJHZWBOT-VULFUBBASA-N	420.509	5.087	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCC	4723152	KZVPTCUAVATZNQ-UNOMPAQXSA-N	424.928	5.720	50	40	HKGB	
C/C(=C\NNC(=O)COc1cc(C)c(Br)cc1C(C)C)c1cccs1	9348804	XRASBCDQSAZZHZ-GXDHUFHOSA-N	423.376	5.003	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3c(C)[nH]c4ccccc34)c2C)cc1	13527231	PDKIKHXJNRDHAI-RCCKNPSSSA-N	423.516	6.072	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C#N	13943561	QFINGYVALJYIBV-NDENLUEZSA-N	406.445	5.086	50	40	HKGB	
COC(=O)c1ccccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1C	33789143	RDPLVOHGQMFTHD-UYRXBGFRSA-N	410.477	5.130	50	40	HKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)c1cc2cc(Br)ccc2o1	59679987	PLXMHSOXGWHTIF-FSJBWODESA-N	423.266	5.121	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C)cc2)cc1	100035110	PKQNXPGBLSPGNF-HPNDGRJYSA-N	408.586	6.669	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(C)cc2C)cs1	100843651	KGRXPDALXDIYEK-LGMDPLHJSA-N	403.507	5.580	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccc2ccccc2c1	253561904	CQHLOUSNVRNALJ-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccc(C)cc3)n2)cc1	408724043	CXGZLZBFZQQDOZ-WPWMEQJKSA-N	408.505	5.228	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)c(Cl)c1	408794633	JTZYRQQMWQPVDH-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1	408905208	VFKLYDSFLMCYTA-HKMXWPIPSA-N	404.308	5.090	50	40	HKGB	
C/C(=N\NC(=O)CSCc1c(Cl)cccc1Cl)c1ccc(C(C)(C)C)cc1	409109961	OPJXFXJFECHYGI-ZVHZXABRSA-N	423.409	6.065	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1	1905743	UZPIDOAHYMZDED-XSFVSMFZSA-N	417.534	5.458	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(C)cc2C)cs1	5022965	KGRXPDALXDIYEK-GHRIWEEISA-N	403.507	5.580	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(=O)c2cccc(Br)c2)cc1	9668269	NACMAYSPMYVCQR-LFIBNONCSA-N	412.283	5.190	50	40	HKGB	
CCCCC/C(=N/NC(=O)c1ccc(OC)c(Br)c1)c1ccccc1	19798463	DEWJTQUMCOKZHE-PYCFMQQDSA-N	403.320	5.172	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)c(C)n1-c1ccccc1	28216452	BJEAKTQWWXHGOB-ZZQPOVDQSA-N	411.958	5.378	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccccc2)c(C)n1-c1ccc(Cl)cc1	28216994	OGPQSDAIDGAXAL-BUVRLJJBSA-N	411.958	5.380	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1OC	33654690	ZGAAAHJCKBKYEH-AISSWFOISA-N	410.728	6.897	50	40	HKGB	
CCCCCCCCCCCCCCCCCCC#CC(C)(C)OOC(C)(C)CC	97949671	JFUFDSASJFNLAY-UHFFFAOYSA-N	422.738	9.557	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)c(Cl)c1	107630436	KBNAWJVODPRDIN-RQZCQDPDSA-N	412.276	6.373	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NC1CCCCC1)[C@@H](C)CC(C)(C)N2C(C)C	223606938	BTYCGPDVZFLTND-IAFWPLRWSA-N	407.602	5.852	50	40	HKGB	
CCOc1cc(/C=C(/C#N)Cn2cnc3ccccc32)ccc1OCc1ccccc1	408691934	YRPQUWXAJDFMDU-HMAPJEAMSA-N	409.489	5.621	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(N(CC)CC)cc2)c2ccccc12	408785128	YUNRVSQBXVLIQA-JZJYNLBNSA-N	413.521	5.630	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408809804	JHVVLLAWFDNUAA-GXHLCREISA-N	420.852	5.208	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(Br)c(Sc3ccccc3)o2)cc1	409001809	KSHSNQNHPFDJEI-CIAFOILYSA-N	415.312	5.266	50	40	HKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccccc1	409055381	IIGGAKZMUJIYPC-RIYZIHGNSA-N	407.105	5.674	50	40	HKGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409301196	DEWAYQNNZGQTHF-OAHLLOKOSA-N	419.333	5.274	50	40	HKGB	
Cc1cc(NNC(=O)c2ccccc2)nc(SCc2ccc(Cl)cc2Cl)n1	832559	ASXQHAQXANOTSR-UHFFFAOYSA-N	419.337	5.141	50	40	HKGB	
N#CC1=C(Nc2ccccc2Cl)S[C@H](c2c(Cl)cccc2Cl)NC1=O	1048844	RHVREMBVGBIQKS-QGZVFWFLSA-N	410.713	5.356	50	40	HKGB	
N#CC(C(N)=O)=C(SCc1ccc(Cl)cc1)SCc1ccc(Cl)cc1	2195082	WRQXTHUFJLXRIU-UHFFFAOYSA-N	409.363	5.380	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(O[C@H](C)CC)c(OC)c1	19727450	WTCMCGGGKDFQLA-JQFNYASXSA-N	412.917	5.634	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1	20194334	WOFXMIJPJDHKGR-LGJNPRDNSA-N	400.400	5.275	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	20197694	ZIZLJBLGQKOVKD-MFKUBSTISA-N	409.917	5.300	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1	34705691	KEXRXGNKZOFFNS-PDGQHHTCSA-N	416.477	6.087	50	40	HKGB	
CC1(C)CC(O)=C/C(=N\NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C1	103445414	JHNUWXKWVMVALY-WPWMEQJKSA-N	403.457	5.389	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccccc1OC	104166622	JFDPMXAAAZBSQG-VYIQYICTSA-N	416.650	7.407	50	40	HKGB	
COc1ccc(C)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	223164825	KWGCNYBAWNNZMX-UYRXBGFRSA-N	419.912	5.610	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)c1ccc(Cl)cc1	408579900	LGEPFKFDOFMRJR-RCCKNPSSSA-N	413.879	7.275	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc(Cl)c1	408599437	UWASRUTZYYXMHT-ZDLGFXPLSA-N	414.719	7.290	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1	408744959	ITWWYDIMXQSMHY-BOPFTXTBSA-N	417.421	5.026	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1Br	408746284	YEFHYMQDERHRGT-ZSOIEALJSA-N	419.706	5.355	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N\NC(=O)COc3cc(C)cc(CC)c3)c2C)cc1	408755516	VHDWASDXOJFLNT-YUMHPJSZSA-N	417.553	5.056	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cccc(OC)c3o2)c1C	408966957	OGEIYVGFXOJQSJ-CVKSISIWSA-N	415.493	5.175	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	409067463	YFHBEYACFCLNBG-UDWIEESQSA-N	403.913	5.910	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)nc1	409237068	VREYTDNYODIIHM-ZDLGFXPLSA-N	424.426	5.362	50	40	HKGB	
CCCNC(=O)Nc1ccc2c(c1)Cc1cc(N(CCCl)CCCl)ccc1-2	1730843	GLJZANKYEVWKEB-UHFFFAOYSA-N	406.357	5.073	50	40	HKGB	
O=P(C(=S)Nc1c(Cl)cccc1Cl)(c1ccccc1)c1ccccc1	1766784	IRWNUOWPGCXCKB-UHFFFAOYSA-N	406.274	5.704	50	40	HKGB	
CCCCCCCc1ccc(C(=O)NNC(=O)C2CCC(CCCC)CC2)cc1	33353016	XMLMOJDFHFENLE-UHFFFAOYSA-N	400.607	5.957	50	40	HKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(Br)c3)sc2c1	34780849	YXVUSRIQCHAKPG-UKWGHVSLSA-N	407.720	5.390	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cc(Cl)ccc4C)c3C)[nH]c2c1	35403459	CJUCPJFJNDPRAY-ODLFYWEKSA-N	400.913	6.305	50	40	HKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	59474308	QERRYYDNRSATOE-KSXCTLEASA-N	418.949	6.277	50	40	HKGB	
N#C/C=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1	107793046	VGEGAVDNIGSOMU-OWOJBTEDSA-N	411.068	5.466	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223557383	HWKOYIVHVPDSJC-HBEGMLAUSA-N	415.581	6.295	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)cc1C	408735322	QSAHLLGBPBXSTF-FYJGNVAPSA-N	417.940	6.218	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1	408788076	ICMLERACBBRDMX-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(Cl)cc1	408998478	QRWQBWUTGCFUOE-UVTDQMKNSA-N	416.727	6.911	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OCC)c1OCC	409073723	HZTSYORFUORAKW-KGENOOAVSA-N	404.510	5.375	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(C#N)cc1	409368222	PXPMRXXKRYSMGI-BKUYFWCQSA-N	415.290	5.964	50	40	HKGB	
O=C(COc1ccc2ccccc2c1)N/N=C\c1cc(/N=N/c2ccccc2)ccc1O	9948536	IOTIMBKTFWHDHI-CTBJQWLQSA-N	424.460	5.490	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1C	208240339	WWLQDFLPGMWTMI-KCBNLNMNSA-N	421.972	6.225	50	40	HKGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	256283525	CBKCVNIAWQFPNS-QJAPXLAMSA-N	402.695	6.621	50	40	HKGB	in-vitro
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408734134	DJTLHNIQSXTFKP-UDWIEESQSA-N	403.913	5.910	50	40	HKGB	
N#C/C(=C/c1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)c(Cl)c1	408751801	CLBBGEPEYUDNKQ-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1	408777343	XWWJAMAIVWYTSF-PXNMLYILSA-N	419.308	5.013	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)c1C	408873786	XBGPMLCXNZBEFZ-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
N#CC(=C\c1ccc(-c2ccc(F)cc2)o1)/C(O)=N/c1nc(-c2cccs2)cs1	3207652	ULZPTBQRPJKARJ-GXDHUFHOSA-N	421.478	6.466	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Br)c1O[C@H](C)CC	6224094	TWOJQGIYGSYLCN-KWZJRMENSA-N	418.306	6.228	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	16439411	RFWDYWCKVUAOPY-JLHYYAGUSA-N	423.812	5.062	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2ccccc2F)o1	33402601	LQCQLYWATWDQJC-LGMDPLHJSA-N	412.424	5.126	50	40	HKGB	
CC(C)/N=C1/CCC[C@@H]1C(=S)SSC(=S)[C@@H]1CCC/C1=N/C(C)C	96900244	SNLSXBAIXLUAAE-WLUFFHHOSA-N	400.704	6.322	50	40	HKGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	107950505	CIDBGJRXLNHWCI-NDENLUEZSA-N	418.290	5.687	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc2ccccc2c1	108047471	FQSMOPQLZFKWLD-QQXSKIMKSA-N	409.492	6.779	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccccc1F	108069954	QBDSYSBAPUDFBP-AQTBWJFISA-N	408.270	6.231	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(F)c1	409393266	PLTIGYXDPSXBOT-YBEGLDIGSA-N	405.341	5.499	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](N=C=S)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	1857795628	OTQCKYVOOJVJQT-IHBPWPMGSA-N	415.599	5.167	50	40	HKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccccc1CC2	5776014	YTVZLFNXDWIOAZ-BRJLIKDPSA-N	400.425	5.296	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)cc1	9934809	KDCQCGMWIYZBPP-ZGQMNJRFSA-N	421.888	5.332	50	40	HKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)[C@@H]1CC1(c1ccccc1)c1ccccc1	13305491	ABDNXIGDXVBXKD-LKSMXUKOSA-N	406.485	5.002	50	40	HKGB	
Cc1cccn2c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c(-c3ccccc3)nc12	16806262	PBDQOHLNEMZVHI-QGOAFFKASA-N	412.880	5.509	50	40	HKGB	
O=C(N/N=C\c1ccc2c(c1)CCC2)c1ccccc1/N=C\c1ccc2c(c1)CCC2	31719672	WDIHVDGOWYHGCW-SZVCAHDZSA-N	407.517	5.179	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OCC)c1	207150333	GQBRGCXUHSMLNU-GDNBJRDFSA-N	404.388	5.048	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2C(C)=CC1(C)C	208515673	CDXLGRSKHQANLN-UNOMPAQXSA-N	419.956	6.216	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccc(C)cc1	408744283	KEAHFXBXOINLKF-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1	408811108	KDHZNVRQELDUCK-QTCOBDOFSA-N	423.491	5.613	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408811867	MDNGKEZKYUEJEM-OQLLNIDSSA-N	419.308	5.727	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccc2)cc1	408890255	QKHKMBGAKYPBJT-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	408965117	GGVSREBQIWOTRD-YSMPRRRNSA-N	422.960	6.201	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1cccc(F)c1	409392479	MUWIXMQEAIHLAX-QINSGFPZSA-N	414.221	5.285	50	40	HKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	3275253	NEXZMYZAZDFPAW-MFKUBSTISA-N	423.969	5.462	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	59255666	QRKVNUWRUJCDOO-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1	408791870	DOBYIHLPURTSNV-XDHOZWIPSA-N	418.880	5.479	50	40	HKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(C)C	408855416	MQUXGEFQOFPOJL-LICLKQGHSA-N	416.443	6.082	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3cccc4cccnc34)o2)cc1	408991039	MKLSGDRPEWLENW-NBVRZTHBSA-N	411.486	5.833	50	40	HKGB	
CCN(CCCl)Cc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1	1705586	MQSRNZPDNDCRIN-UHFFFAOYSA-N	423.987	7.874	50	40	HKGB	
N#CS[C@@H](C(=O)c1cccc2ccccc12)[C@H](Nc1ccccc1)c1ccccc1	5338482	AFMVJKSMTPBTCH-AOYPEHQESA-N	408.526	6.459	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	5570916	ZJBRLWINJOHOEX-ZHZULCJRSA-N	409.464	5.683	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	9693151	PWUKVQMZMNBDKQ-IBGZPJMESA-N	423.969	5.430	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)Sc1nc2ccccc2[nH]1	408598815	KAVPVDFFFVRLQB-LFIBNONCSA-N	411.408	6.498	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	408711962	SNFYIMZZEGWBGK-QQXSKIMKSA-N	422.912	5.011	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1	408746596	SXNKVFFQRILONB-RAXLEYEMSA-N	423.812	5.062	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)cc1C	408856700	JWFCWCUWYWKQTK-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1F	408879048	AJRJFMLJEIQICS-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1cccc(Br)c1)c1cccc2ccccc12	409009733	HUNKIPVZNJROCM-BUVRLJJBSA-N	418.294	5.157	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(N2CCCC2)c2ccccc12	409202866	STIIYFHCVQYHMM-MFKUBSTISA-N	423.969	5.336	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)c1	2326599	POIAQPHHEUHTFX-DHRITJCHSA-N	410.901	5.561	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1	4047929	WULQODAXNWWPDC-XYGWBWBKSA-N	419.528	6.355	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccccc4Br)o3)[nH]c2c1	4678115	BZXBQUQVSCGFNQ-SDNWHVSQSA-N	404.267	5.958	50	40	HKGB	
O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	5741006	HRXOHHILDHADDU-JVWAILMASA-N	415.924	5.426	50	40	HKGB	
C/C(=N/NC(=O)CCn1c2c(c3ccccc31)CCCC2)c1ccc2ccccc2c1	6302117	VGYZBSFLQOPWHY-USHMODERSA-N	409.533	5.604	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4)c4ccccc34)[nH]c2c1	33659357	WENVBYSYTDGNMD-QNGOZBTKSA-N	402.501	6.247	50	40	HKGB	
O=C(CSCc1ccccc1)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1	34782372	QGKMUEXPYSAEBL-QFEZKATASA-N	424.953	5.303	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473003	FWUHURPUCPJAHE-NLRVBDNBSA-N	418.562	5.922	50	40	HKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)NCc3ccccc3)c2c1	59513150	UINVNSBBVPNTOW-XSFVSMFZSA-N	407.473	5.067	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	108207790	FZAGERLEERYAFD-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208208464	NOWDPPGBTFENKF-WBILBPDKSA-N	401.510	5.031	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408745651	OBJBUZSLHLCCJE-ZROIWOOFSA-N	403.265	5.112	50	40	HKGB	
CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(C(C)C)c1O	408855536	GAMCOCFUCWGYRN-VIZOYTHASA-N	417.336	6.491	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(F)cc1	408997183	LQAMHGYQFMYHCF-UVTDQMKNSA-N	400.272	6.397	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1	948749	WOPYHTXZXKSELC-CPNJWEJPSA-N	416.864	5.413	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)c3ccccc3n2)cc1	2109421	BQGKNDIBJDDGNA-ADXYVXIDSA-N	408.505	5.574	50	40	HKGB	
CCCNC(=O)N(NC(=O)Nc1ccc(C)cc1)c1nc(-c2ccc(C)cc2)cs1	3768097	BHADWVQAHJMFHO-UHFFFAOYSA-N	423.542	5.090	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)cc(C)c1Cl	4724145	CTMJJWFOCQMAPM-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	4995899	MKDRMJQARCVOGX-RAXLEYEMSA-N	405.832	6.459	50	40	HKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3\C[C@H](C)CC(C)(C)C3)cc2)n1	5751166	MMLSAFBYSXHPQA-KERFUJQDSA-N	410.587	5.318	50	40	HKGB	
N#C/C(=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(C#N)cc1	14608541	NDMDAFSCRYGIAA-JAIQZWGSSA-N	405.284	6.508	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C	253618462	OTVRYZXVVMZHHW-KDUSNYIGSA-N	405.110	8.635	50	40	HKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2[C@H](C)CC1(C)C	260562606	AQOKFWDDFMZFPE-WKTMJKCCSA-N	413.565	6.104	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260568197	NVABTEQLAXQQCL-GTPWMTBTSA-N	407.558	5.268	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)c1C	408788195	IYCJGJGQGXAWFZ-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(Oc3nc(Cl)ncc3F)c2)c1C	409063545	MIUOJJGQPUPIAV-CXUHLZMHSA-N	422.847	5.224	50	40	HKGB	
CCOP(=S)(OCC)Oc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N	2581877	CIQVYLYSFSKGLM-UHFFFAOYSA-N	422.390	5.377	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	4923371	LXAGZBLELANRJT-QFIPXVFZSA-N	417.578	5.592	50	40	HKGB	
Cc1cc(C)c2nc(C)cc(SCC(=O)N/N=C/c3ccc(C(C)C)cc3)c2c1	5006995	NTWKRPGRLBZWKM-DHRITJCHSA-N	405.567	5.526	50	40	HKGB	
C/C(CCc1ccccc1)=N\NC(=O)CSC1c2ccccc2-c2ccccc21	20247429	UKGBVUIQGDJDRO-NLRVBDNBSA-N	400.547	5.615	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1C	59224497	FWLXSOCANUMAGR-MTJSOVHGSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1nc2ccc(F)cc2[nH]1	408569887	QVQGIORXYBXLTM-XFXZXTDPSA-N	411.914	6.632	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(C(=O)O)cc2)cc1	408579393	GTGKYFCVDBHBMX-CIAFOILYSA-N	403.865	5.990	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408802283	YUYZVVUEOUOLMZ-VMIBXBSJSA-N	424.544	6.021	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2C)c1C	408807925	IIXCIMWQDLRIIA-FYJGNVAPSA-N	417.940	6.218	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)C(=O)Nc1ccccc1F	408818790	YYFVJFQHJBXJHF-KQWNVCNZSA-N	422.459	6.104	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c(C)n1-c1ccccc1	408922964	HXRYVIOKFIIJMH-SFQUDFHCSA-N	410.304	5.947	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	409365698	VXFAZZLUVUHEGR-WGOQTCKBSA-N	406.913	5.174	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1	6473521	HOZVKFCBNQLRQE-UNOMPAQXSA-N	401.378	5.146	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc2ccccc12	6496657	SAFXAQTXSQOEDR-ITYLOYPMSA-N	411.504	7.636	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)S(=O)(=O)c1ccccc1	16741423	DIYDYGNFTJOPDR-LFIBNONCSA-N	404.274	5.592	50	40	HKGB	
COC(=O)c1ccc(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	39383886	UTHKBZAQTWORFJ-HZHRSRAPSA-N	422.509	6.328	50	40	HKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102928294	UCOVZWQEYYWLAI-NRFANRHFSA-N	419.506	5.229	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C	223597669	GQCLUVBMQPKGIR-UOIFGXKSSA-N	401.554	6.041	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Cl)c(Cl)c1	408585498	GDOWYGIDPNJHIJ-KPKJPENVSA-N	409.099	7.624	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1Cc1cccc(F)c1	408866647	HPPBEYVPFGAHMH-YBFXNURJSA-N	420.871	5.624	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1	409361350	GZPVRMVXUIAIGY-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
O=C(NCc1cccc(CBr)c1)OCC1c2ccccc2-c2ccccc21	521219280	KSDALLIGYMUBOX-UHFFFAOYSA-N	422.322	5.620	50	40	HKGB	
Cc1ccc(N(C(=O)Nc2ccccc2)C2=NC[C@](C)(CBr)S2)cc1	2361607	KYBNTAMACFQULU-IBGZPJMESA-N	418.360	5.290	50	40	HKGB	
CCOC(=O)c1c(N/C=C(\C#N)c2nc(-c3cccs3)cs2)sc(C)c1C	5047340	PZBRHSZGTZEWDW-UKTHLTGXSA-N	415.565	5.703	50	40	HKGB	
O=C(Cc1csc(-c2ccccc2Cl)n1)NNc1cccc(C(F)(F)F)c1	57808772	IETYRCJHMGJYJQ-UHFFFAOYSA-N	411.836	5.168	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c(C)n1C1CCCCC1	59104524	NTTANMDRROBMMG-JCMHNJIXSA-N	414.553	5.357	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc2ccccc2c1	408549555	USEMVTGNRQQOOT-VEILYXNESA-N	411.504	7.636	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1OC	408886404	GVRJPKMJEWUDFB-RIYZIHGNSA-N	405.281	5.255	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1	408936547	KYOCDLUOUDRLSB-NDENLUEZSA-N	402.881	5.773	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl	409023916	MYOLXUHMCVDGLF-QNEYSMKTSA-N	405.281	5.681	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)c1	409366518	VLEHESJVQRYRCO-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1cccc(F)c1	409391131	HMWKUCBTFBJAIA-ZDLGFXPLSA-N	421.302	7.200	50	40	HKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1	714367	SWTPSDIDUXZIFY-AUFJSOOLSA-N	409.316	6.323	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	1922853	CLTRRJMDVFAPPX-TURZUDJPSA-N	422.532	5.512	50	40	HKGB	
O=C(N/N=C(\c1ccccc1)C1CCCC1)[C@H]1CC1(c1ccccc1)c1ccccc1	5584422	KJXUARYHNQRYPH-BFFRAMDSSA-N	408.545	5.703	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)cc2)cc1	6966376	FRWLCCHCADKEKV-CVKSISIWSA-N	403.551	5.325	50	40	HKGB	
N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9183457	XUYXFGYFGYOXAK-SXGWCWSVSA-N	418.865	5.984	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccccc3OCc3ccc(C(=O)O)cc3)nc2c1	9263382	CCBMEDPAOQZLRX-DEDYPNTBSA-N	409.445	5.213	50	40	HKGB	
CCC[C@@H](Br)C(=O)Nc1nc2c(CC)cc(Br)cc2s1	20132644	MWCVONXADAMEDX-SNVBAGLBSA-N	420.170	5.123	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc(OCC)c1O	59250411	BEWGOMMEFQORGJ-DHDCSXOGSA-N	417.292	5.372	50	40	HKGB	
COc1cccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	59473362	KIQBWDOMSKNXBT-ZVHZXABRSA-N	410.926	5.405	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)c1	223486730	GHTKOALUVZYMSP-NDENLUEZSA-N	415.537	5.651	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2)cc1Cl	408735242	OWIXPGBXUNIAAR-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc2ccccc2c1	408764139	LKVMEZPGEKFBDC-XQNSMLJCSA-N	418.452	5.605	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C	408796690	PORXEUYHJUXECN-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408814460	VPILZOAMNLVTOF-NTEUORMPSA-N	419.706	5.437	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c1C	408964836	FEMUVVNYBJGDGI-OVVQPSECSA-N	410.521	5.211	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc2ncccc2c1	408968174	WXIMHZXBAHTXDR-VULFUBBASA-N	402.885	5.060	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Sc4ccc(C)cc4)o3)cc2c1	409188527	ZXOCOLFDEITLQG-OYKKKHCWSA-N	420.490	5.648	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cccc(Cl)c3)c(C)s2)cc1	937398	OPVDDBWBKLLJQA-GZTJUZNOSA-N	423.925	5.716	50	40	HKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccccc1	1453700	CEFJNOIRHJQORP-QGOAFFKASA-N	402.475	5.137	50	40	HKGB	
O=[P@@](Nc1cccc(Cl)c1Cl)(c1ccccc1)c1nc2c(s1)CCCC2	3176296	VQVPEUAQZBQEJR-VWLOTQADSA-N	423.305	5.670	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc([N+](=O)[O-])c3)c2C)cc1	6569998	LICOHKIOSSZGIC-JCMHNJIXSA-N	414.509	5.913	50	40	HKGB	
CN1CCC(=NNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)CC1	55082643	ZVNLSQSLWXYYPX-UHFFFAOYSA-N	414.553	5.011	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	58917502	ABMGAYJBIHSPGU-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	59335465	DFPVDDSELQUKKX-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OCC	408540201	OOIJUGZPYKIMBV-JLPGSUDCSA-N	402.922	5.462	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc2ccccc2c1	408551600	OLNOPJWDVPHBRX-XYGWBWBKSA-N	405.453	6.181	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2ccc(Cl)cc2)c1OCc1ccc(C(=O)O)cc1	409186555	DSJNVYXEWUEWBN-MOSHPQCFSA-N	419.864	5.690	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1	4923251	PSWBJUFJDGECNB-FQEVSTJZSA-N	421.591	5.190	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2cccc(Br)c2)cs1	9066645	NMYYPLIRANCIER-XFXZXTDPSA-N	418.266	5.827	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1	30937354	YTQHDFSCGCDRCY-MFKUBSTISA-N	415.965	5.112	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)Sc2nc3ccccc3s2)c1C	108106796	XYEUTJCZVFEVRB-CPNJWEJPSA-N	401.560	6.669	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1	408580637	QFIXBFSPSRVHEX-DEDYPNTBSA-N	423.921	5.789	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1Cl	408794040	HOWCGSWNMWYMFC-MHWRWJLKSA-N	401.293	5.666	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(F)c(Cl)c1	408817448	LQYQVMISYDVVCW-MFOYZWKCSA-N	418.821	6.970	50	40	HKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)c1	408846339	JOESHUWLACDHMU-WGOQTCKBSA-N	416.912	5.302	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	408878332	ALEZMNBAEQLEER-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCCCc1ccccc1	409235450	QCHSWFWZXBWMAP-MOHJPFBDSA-N	419.528	5.346	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1	409369886	GYFIGZIOYSIMTN-MOSHPQCFSA-N	405.885	5.015	50	40	HKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NN=C(c1ccccc1)c1ccccc1	5721553	KNMDIUDLRQBXOM-HNNXBMFYSA-N	413.304	5.330	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1Nc1cccc(C(=O)O)c1	9187511	IWAYFECNJKSCCF-LDADJPATSA-N	424.460	5.468	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1	59255069	RAQJNVOSHUIFFG-KGENOOAVSA-N	416.908	6.027	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1	59432922	FBKJXMGKDXWRPC-MHWRWJLKSA-N	421.840	5.671	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208218274	QVERNADUCFLSOD-WOLHVBPDSA-N	403.448	5.191	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208436916	XUKHYXRIPKTXGM-DHRITJCHSA-N	407.901	5.482	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)c1nc2ccc(F)cc2[nH]1	408568746	WPDDGYZYFQHERI-WQRHYEAKSA-N	413.408	5.043	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccc(Br)cc1	408568896	XIMBYPYRTSDSFM-NDENLUEZSA-N	402.295	5.793	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c1C	408960448	LWDQOARQSJDEHG-NDENLUEZSA-N	409.360	7.336	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)cc1Cl	408995693	DGNPOEREOHVNNN-LFIBNONCSA-N	420.852	5.241	50	40	HKGB	
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1ccccc1	409079655	LJKURBFHHYEVOE-SFQUDFHCSA-N	410.351	6.470	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)NCc1cccs1	409207007	YJWHYRYRJQMMHO-LDADJPATSA-N	408.910	5.204	50	40	HKGB	
N#C/C(=C\Nc1ccccc1C(N)=O)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	1829753	RSIJCDURFSZSFZ-FMIVXFBMSA-N	415.305	5.192	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	6707239	WFNANOIKUTWHFC-PMFHANACSA-N	412.917	5.688	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)[C@H](Br)C2=O	8384938	AHSLWDCWEZENFO-JLZZUVOBSA-N	419.146	5.091	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1	20194303	SCZHENBMKXWMIS-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
Clc1cccc(Cl)c1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	98008923	OLVNHEVLVGWBFR-UHFFFAOYSA-N	422.295	6.803	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc(Cl)c3)cc21	208249715	QHODPRLTYCZLHL-ZGUVFNMESA-N	404.341	5.479	50	40	HKGB	
Br[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1SS[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br	217400202	GDJQKRKZFGZASH-MMUYANBASA-N	412.256	5.492	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(Cl)c2)cc1OC	408581570	XYJQTFOBTBJZEN-CIAFOILYSA-N	419.908	6.309	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1	408599625	XTRBGPKSUSKYFF-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
Cc1ccc2ccccc2c1COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	408814497	PLDUEGVZUTVMPZ-HAVVHWLPSA-N	418.496	6.273	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)o1	409037914	OEYQQCFQGLUEQT-VULFUBBASA-N	418.880	5.738	50	40	HKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1O	409037917	USMJOYWABYCFGE-PKAZHMFMSA-N	407.473	5.100	50	40	HKGB	
COc1ccc2ccccc2c1/C=C(\C#N)c1ccc(I)cc1	409373008	VCFVUJGDFFBJNV-FOWTUZBSSA-N	411.242	5.517	50	40	HKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)c1nc(-c2cccc(Br)c2)cs1	8934352	PBGOKNQJGHPWIC-MKMNVTDBSA-N	411.280	5.365	50	40	HKGB	
C=CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N1	20348242	NCCZVLJCSBHVTE-SFHVURJKSA-N	408.548	5.064	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C	33760214	GMSHHGCOZUSTML-BOPFTXTBSA-N	421.884	5.007	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1	59281592	ULDQGPIRSSMFNL-GZTJUZNOSA-N	413.315	5.344	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c(Cl)c1	208246875	AHOOCAPACBVSHY-DSKMXOTJSA-N	418.368	5.788	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1	408569677	PLCKZAAGLKQZLH-PDGQHHTCSA-N	400.457	5.572	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Br)c3)c2C)cc1	408759924	OENBJQCOXXRNHG-ZVHZXABRSA-N	424.342	5.183	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)cc1	408881202	KEYYUPOCZJLDIV-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(/C#N)C(=O)NCc3ccccc3)c2c1	408992499	AEDGLPYEFCZIAL-JCMHNJIXSA-N	405.501	5.675	50	40	HKGB	
CCCCCCCC1CCC(C2CCC(CI)CC2)CC1	2049254	MKXXKSYSCSMPNU-UHFFFAOYSA-N	404.420	7.395	50	40	HKGB	
O=C(N/N=C/c1cccs1)c1ccc(CSc2nc3ccccc3s2)cc1	2629913	PZWBRFVKXDJMOT-CIAFOILYSA-N	409.561	5.414	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Cl)c1	4815523	RFIYSXANDTWCJF-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)cc1	6407786	QEQZGEYVSTWYRX-CVKSISIWSA-N	407.945	5.809	50	40	HKGB	
CCOC(=O)c1sc(NC(=O)c2cc(Cl)ccc2Cl)c(SC#N)c1C	8880010	JROOTVLTTSYMIH-UHFFFAOYSA-N	415.323	5.366	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1Cl	12273700	KLNCJGAHOJKJIO-KPKJPENVSA-N	409.099	7.624	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1Cl	33613457	YQVGCDVAYLGNRS-UFFVCSGVSA-N	417.874	5.014	50	40	HKGB	
CCCC[Sn]1(CCCC)OOC2(O1)C1CC3CC(C1)CC2C3	195999587	BIAHEZUVXIQDQO-UHFFFAOYSA-M	415.162	5.160	50	40	HKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	408527979	GZCYHKOGOKZZJK-KBKYJPHKSA-N	421.806	5.181	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(Br)c1	408868705	OCFAJHKFUKXWNS-GZTJUZNOSA-N	413.315	5.344	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)o1	408959558	AYYKXCMCQZBGJF-PDGQHHTCSA-N	400.434	5.116	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccc(Cl)cc3)c2C)cc1	409189026	HGWHBNUOXWNGLS-OYKKKHCWSA-N	410.905	5.302	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccccc1Cl	59117229	DUQHRWSEIDAMJJ-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	67192516	YZZABNUUYLEKIH-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	408579859	KRZSUFFGXKDWQJ-WOJGMQOQSA-N	400.316	6.009	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408812441	LWHLDYVHHQFQKD-ISPQVQRCSA-N	413.861	5.110	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408880916	JJPHUXSLFTZNQP-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)COc1ccc(Cl)cc1	409012357	JKVGURGUWHWPDQ-MFKUBSTISA-N	410.901	5.201	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc4ccccc34)c2C)cc1	409186403	BQSUYAMNTIPCPV-WPWMEQJKSA-N	411.505	5.410	50	40	HKGB	
CCO[Si](CCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(OCC)OCC	627276282	AXHJOCFUYJQPGG-UHFFFAOYSA-N	424.376	5.488	50	40	HKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(-c2cccnc2)nc2ccccc12	6189840	JZVUHKQGSURQNP-CCVNUDIWSA-N	420.394	5.080	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	9057364	PCPWVSIDTCPIBP-LFIBNONCSA-N	419.824	5.586	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C)[C@H](C)CC(C)(C)N2C	223570700	QUTINIROPSTEMH-KLSKMWHSSA-N	421.972	6.225	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C	223577145	GLRYCYGNEVBSGX-YNGKYYQNSA-N	417.553	5.661	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccc(Br)cc1	408533454	SHJSXJVVYSHOQH-LCYFTJDESA-N	419.105	7.080	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C	408548268	FKGQGBPKPPSCQI-UCQKPKSFSA-N	423.472	6.228	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1	408744900	NXMVJLQGAAAAPD-ZHZULCJRSA-N	402.881	5.773	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Cl)c1	408866186	GIYPIKOZKCZSPQ-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(C)c(C)c1	408878037	VSXFLZKEJWUHJN-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408959672	CWIJHJROTCBOBP-STZFKDTASA-N	417.940	6.164	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1	409250994	SLLQHAKBLWHAFD-BWAHOGKJSA-N	410.517	5.230	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(F)c1	1053562	QEYNVCSVXWVARU-YSURURNPSA-N	402.212	5.028	50	40	HKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(\C#N)c1cccc(Br)c1	2836940	JBIKUGABFHBMDO-LICLKQGHSA-N	413.315	5.131	50	40	HKGB	
O=C(CSCc1ccc([N+](=O)[O-])cc1)NN=C1CCCCCCCCCCC1	4714600	XPFYERDFFYUEDW-UHFFFAOYSA-N	405.564	5.605	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2cccc3ccccc23)cc1I	6441644	HISULXMJTZPUKQ-LFIBNONCSA-N	411.242	5.517	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)cc1	8380268	KAHBZFNQVWHDIG-AQTBWJFISA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1	12560508	UNSLMRLGJFYJDV-NTEUORMPSA-N	401.716	6.290	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccccc1	33337487	HMMYNKIRFAABKT-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc2C(C)=CC1(C)C	208505883	LAHCDSADOQYQAC-ODLFYWEKSA-N	407.355	6.535	50	40	HKGB	
O=C(Cl)c1ccc(OCc2cccc(Br)c2)c(Br)c1	226327537	QLWLYZRVKNYBMQ-UHFFFAOYSA-N	404.485	5.170	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(-c2ccccc2)n1-c1ccccc1	408789583	MOWIRWOJMVGREP-BWAHOGKJSA-N	417.512	5.676	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2)cc1	409240096	OJYUAYNJWYPEIN-VULFUBBASA-N	414.452	5.929	50	40	HKGB	
N#CC(C#N)=C/C=C(\Sc1nc2ccccc2s1)c1ccc(Br)cc1	8445449	MTWJVOGOLYAWDL-YVLHZVERSA-N	424.348	6.166	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2cccc3ccccc23)cs1	9075587	PPCFPIFAKMJQDU-NTCAYCPXSA-N	416.437	5.987	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)cc1Cl	39383574	HHLAFQMRMNACMW-CVKSISIWSA-N	402.881	5.754	50	40	HKGB	
CCOc1ccc(N2Cc3ccc(C(=O)N/N=C/c4ccccc4Cl)cc3C2)cc1	58872033	VXPPLKBFZSLCHX-VULFUBBASA-N	419.912	5.023	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)c1	59447254	WSOFXWIQZCMOIV-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1	83327517	OTIZWMRSSPUINC-MXAYSNPKSA-N	413.304	5.645	50	40	HKGB	
C[C@@]12CC[C@@H]3c4cc(CN(CCCl)CCCl)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	104388252	YOJVFPIMXJSMJL-BNUXRISVSA-N	424.412	5.097	50	40	HKGB	
N#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408789936	STEMKFALFUPZEQ-WUXMJOGZSA-N	406.656	5.095	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cccc(C(F)(F)F)c1	409002394	UHJPKNKNUONEHP-ZRGSRPPYSA-N	419.834	5.530	50	40	HKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl	409214783	YTKKLBSIBCPSBB-ZVBGSRNCSA-N	417.745	5.288	50	40	HKGB	
N#C/C(=C\c1sc2ccccc2c1Cl)C(=O)Nc1cccc(C(F)(F)F)c1	1405738	WZYNTADNGUHKMF-DHZHZOJOSA-N	406.816	6.119	50	40	HKGB	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)s1	2109690	RKXWGCSSPMNCBL-MFKUBSTISA-N	415.518	5.298	50	40	HKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	3035324	COZAERMNJBCLDC-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
Cc1ccc(C)c(OCCCOc2cccc(/C=N/NC(=O)Nc3ccccc3)c2)c1	4550901	PPOYNUKUIHAHKE-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1	4749779	SNBJRYOPHOIHIW-XSFVSMFZSA-N	417.534	5.377	50	40	HKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1	6404211	MYXNILDFFUROER-HMAPJEAMSA-N	414.480	5.876	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2c(s1)CCCC2	33409132	YAAAJLIRFOFLBO-CYVLTUHYSA-N	408.530	5.939	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3ccccc3F)cc2Br)cc1	33749736	ZGVGEBJWWZCCQK-UNOMPAQXSA-N	422.297	6.540	50	40	HKGB	
N#C[C@@H](Cl)Cc1ccc(Cc2ccc(C[C@H](Cl)C#N)c(Cl)c2)cc1Cl	59103299	UFJCXQOPQINIQO-IRXDYDNUSA-N	412.147	5.931	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)cc1	59137449	VXZWDDKFASSGCH-UNOMPAQXSA-N	423.438	5.967	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	59245279	GINTWUJSPJHMFC-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408874227	ZKVJOZFDKXZHBO-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)c(C)c1	409023507	GAZQUWQSHAZDLI-VBKFSLOCSA-N	424.978	6.715	50	40	HKGB	
CSC1=C(C#N)C2(CCCCC2)[C@H](c2nc(-c3ccc(C)cc3)cs2)C(N)=N1	5490753	DWCPWXFYGZPYPS-SFHVURJKSA-N	408.596	5.622	50	40	HKGB	
CCCC[C@H](CC)COC(=O)CSSCC(=O)OC[C@H](CC)CCCC	14982204	YREDCFUZMPDCSM-HDICACEKSA-N	406.654	5.887	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)cc1	28216213	IGCSTHZKQBTIIH-ZMOGYAJESA-N	411.958	5.298	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N\c2nc(-c3ccccc3)cs2)cc1	104052724	CQWSLNNFMLSFFG-UCQKPKSFSA-N	404.366	5.845	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)c3ccccc3F)cc2Br)c1	107868295	MFCKBBRHJTVNAD-UNOMPAQXSA-N	422.297	6.540	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccccc2Cl)cc1	408712019	VXHUYFZTSKOZBI-QQXSKIMKSA-N	422.912	5.011	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1Cl	408984905	UFTHGABCHYINGX-SXGWCWSVSA-N	421.840	5.671	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1ccc(Cl)cc1Cl	409017145	WZMQAEYRIDSCNX-DHDCSXOGSA-N	408.244	5.671	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc2ccccc12	409310714	WGGHZCAWXRTOCD-JWGURIENSA-N	418.927	7.560	50	40	HKGB	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@H]3c2ccc(Cl)cc2Cl)cc1	999225	LOHAXWTWYPWHPV-LJQANCHMSA-N	411.292	5.014	50	40	HKGB	
N#CC(=C1CCC(c2ccccc2)CC1)c1nc(-c2cc3ccccc3oc2=O)cs1	1065193	UAVAEQVKGGLESU-UHFFFAOYSA-N	424.525	6.551	50	40	HKGB	
O=C(Nc1ccc(Cl)cc1)OC[C@@H](CCl)OC(=O)Nc1ccc(Cl)cc1	2171545	WENULKCMFDBEDE-OAHLLOKOSA-N	417.676	5.398	50	40	HKGB	
N#CC1=C(c2ccccc2)NN(Cc2ccccc2)[C@H](c2ccc(Cl)cc2)CC1=O	5886847	BFAAWCBZYPUSGJ-QHCPKHFHSA-N	413.908	5.296	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1Br	14608545	BGZUKSAVFMZBGW-ATVHPVEESA-N	417.310	5.797	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(Cl)c2)cc1	59201680	NCEXHTRDWJYRPY-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1C	59266518	LKVBWJDVDLAPDW-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2[C@@H](C)CC1(C)C	223581444	TZOMEIDILYXZGV-LSPINASFSA-N	405.517	5.792	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Cl)[C@@H](C)CC(C)(C)N2C(C)C	223589268	OODIGFMLRPEBHU-HSOLMKNUSA-N	411.977	5.913	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1	408539723	YGOGNUJFUNLHPK-XYGWBWBKSA-N	421.566	5.842	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(C)c1	408788903	GJCMOFXKVDAUKZ-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)NCCCc1ccccc1	409243653	ZJUWYHOQIVIHEO-KQWNVCNZSA-N	414.480	5.061	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	409363080	KWTRHSPESCMLCK-JFLMPSFJSA-N	415.924	5.344	50	40	HKGB	
CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	4814817	HSYNMAHGOCPCNI-JJIBRWJFSA-N	421.569	7.577	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	6168195	MGRYXMCICBZQDM-LTKMBJGESA-N	412.917	5.688	50	40	HKGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	8836472	BFELJMGWCRVXLO-ZSOIEALJSA-N	412.268	5.545	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c(C)c1	28216393	ARHMSENUFZIQPA-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
CCCN1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1	55082611	DKAKYOIBVDZCER-UHFFFAOYSA-N	420.944	5.147	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C2\C(=O)Nc3ccccc32)cc1	100037924	QKVYVDAZFHRCCD-UHFFFAOYSA-N	421.541	5.292	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	223165432	YSVLLPKUEOTXBZ-UNOMPAQXSA-N	419.912	5.610	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C	223577645	CLIKTUGEQQJQBJ-BRLDDBHUSA-N	423.398	6.934	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Cl)cc1Cl	408581115	UTFVPBFSCVOELK-LICLKQGHSA-N	414.719	7.290	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1OC(C)C	408952848	WBIPEEULSSEQFP-FMCGGJTJSA-N	400.862	5.036	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)cc1	408989905	UNDHHFOFMSPPEQ-CAPFRKAQSA-N	420.509	5.259	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	409039789	DNVBTPAGOIPWKP-MDWZMJQESA-N	409.700	5.981	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	409361195	ANHCRYZNKZQXIX-WGOQTCKBSA-N	406.913	5.174	50	40	HKGB	
CCc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc2c1	650444	KLUOOFIKVUDJCL-QFIPXVFZSA-N	411.892	5.822	50	40	HKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1c2ccccc2cc2ccccc12	3080008	XMIVBKFWYXCZJV-STBIYBPSSA-N	403.485	5.708	50	40	HKGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1	5554954	OGYQPZSDHWAOHA-SFQUDFHCSA-N	401.516	5.494	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1	59535651	XRBGZDDYRYVIFH-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccccc1Cl	104813466	MHUOMBMCSPKBNE-JVWAILMASA-N	420.900	5.218	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc(C(C)(C)C)c1O	408881729	OHDRLYHPBJROKF-LFIBNONCSA-N	420.509	5.231	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccccc1Cl	409392099	KXUHFCLGJDUGJK-NDENLUEZSA-N	407.872	6.521	50	40	HKGB	
Cc1c([C@H]2[C@@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1Cc1ccccc1	2447752	OVTNPQZDYPTFLH-HYBUGGRVSA-N	408.973	5.483	50	40	HKGB	
N#C/C(=C/Nc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1	2561563	UTCSIJYRWACDFO-QNGOZBTKSA-N	410.882	5.383	50	40	HKGB	
Cc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4ccccc4)cs3)n2)cc1	5243803	JJDDSQBHYMOXRK-UHFFFAOYSA-N	408.914	5.149	50	40	HKGB	
CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=N/NC(=O)c2cccnc2)C(C)(C)CCC1	8622504	RZZQUTADLRVOLI-UUFALGQFSA-N	403.570	6.329	50	40	HKGB	
Cc1ccc([C@@]2(C)CC/C(=N\NC(=O)c3ccccc3)c3cc(C)c(C)cc32)cc1C	17020707	UTAJDXXHGYEEHE-SVNRFNMRSA-N	410.561	6.154	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1	20243941	WHYHSNRVLJJWDH-WSDLNYQXSA-N	419.388	5.130	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)cc1Br	408567613	FVPLESFZFWGFKP-UGMNDJHYSA-N	414.278	5.706	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1cccc2ccccc12	408818644	OGWXXPWFYTVLCJ-QNGOZBTKSA-N	409.464	5.932	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1	408869498	PSFHXMOXWVIBHG-CPNJWEJPSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cn(Cc3ccccc3C)c3ccccc23)c1	409360301	DQFFSLWFAVISCH-LQKURTRISA-N	409.533	5.308	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	1791228	DBSHMNJPRDQLBX-FMIVXFBMSA-N	417.277	6.002	50	40	HKGB	
N#C/C(=C/c1cccc(Cl)c1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1	4175088	IZQZVVJGINQQPC-MLPAPPSSSA-N	401.274	5.910	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2C(C)=CC1(C)C	208525559	HDSNORRFXIBKRZ-ODLFYWEKSA-N	419.956	6.216	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(C(=O)O)cc1	408542031	JGCJGOXPZGZKRR-JLPGSUDCSA-N	405.453	6.181	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1C	408568018	RNRMIBHRWVDUBW-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408789985	SZKONLUXSGABNY-MDWZMJQESA-N	407.684	5.757	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)cc1	408799868	IUCVJKIFLMKVSX-PXLXIMEGSA-N	412.489	5.437	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc(Cl)c1OC(C)C	408801466	TXRDIQBETLYGCR-WOJGMQOQSA-N	412.917	5.634	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	408963858	BAOUZFDXWPFJDB-STZFKDTASA-N	405.339	6.483	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)cc1	409214928	YPDCUYXSZOOCRD-JWGURIENSA-N	414.509	5.913	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	409364865	QWIMQDDUODXHBD-QQXSKIMKSA-N	406.913	5.174	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc3ccccc3c2)cs1	5023441	GKJHOXATFYRKSD-ATVHPVEESA-N	405.885	6.732	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	5525149	HLKRNJBPEFNNDO-NBVRZTHBSA-N	412.917	5.853	50	40	HKGB	
Cc1ccc(C(=O)/N=C2/C(Cl)=C(Cl)C(=O)[C@](Cl)(C(C)(C)C)[C@@H]2Cl)cc1	26787292	VLLAYAKXNFZRRZ-CQBWLUPDSA-N	421.151	5.479	50	40	HKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1cc2ccccc2nc1Cl	408729149	XYOMQCVWHXFZBR-JHAVZTMOSA-N	404.322	5.173	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2cc(Cl)ccc2OC(=O)/C=C/c2ccccc2)cc1	409219638	OPYGHYDDTOUAFV-ZPACDPCRSA-N	418.880	5.031	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1O[C@@H](C)c1ccccc1	2969138	UVYWXYVCJRWPPP-LUJYGJGBSA-N	414.461	6.198	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2)cc1	3661190	LRXGFEJWFXEMME-AFUMVMLFSA-N	424.953	5.470	50	40	HKGB	
C/C(=N/NC(=O)CSc1nc2ccccc2o1)c1ccc(-c2ccccc2)cc1	4310755	WJMYFBGJZQPMTE-XYGWBWBKSA-N	401.491	5.127	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1	12375267	MANRUTXTPFCDCL-GZTJUZNOSA-N	420.299	6.513	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)c(Cl)c3)n2)cc1OC	13765705	ZUVLSGIBDURUEY-RVDMUPIBSA-N	411.914	5.766	50	40	HKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1Cl	16439216	YDHRUDXUHCCRIX-XNTDXEJSSA-N	411.292	5.342	50	40	HKGB	
O=NN(CCCl)C(=O)N[C@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21	16954248	XTNGPCORSCMZFO-HNNXBMFYSA-N	419.095	5.648	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)c(C)c1	20194963	OYNSFGXAWUAWKH-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCCOc1ccc(C)c(C)c1	26607954	YHNQYKNFDHUCRL-JJIBRWJFSA-N	413.517	6.224	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N\c2ccc(/C=C/c3ccncc3)cc2)cc1	104380119	XJGVHMQZSFVITC-SQDFYGDKSA-N	424.375	6.287	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)cc1	408582969	QCHBGVCAIUVIIQ-VXLYETTFSA-N	423.871	6.139	50	40	HKGB	
O=C(N/N=C/c1ccco1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408724027	COPIBILHCHIXNP-YZSQISJMSA-N	406.445	5.049	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	408754179	DVOOXSOGNOEYDU-WQRHYEAKSA-N	405.885	5.302	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(C(C)C)cc1	408817223	XIAXXTCWLYSDHG-STZFKDTASA-N	401.485	5.902	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	409050317	UJVQKVZSTZHYHQ-NTUHNPAUSA-N	407.684	5.757	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OC(C)C)ccc4ccccc34)cc2c1	409187053	LKBPIIUWDUAGNL-YSMPRRRNSA-N	416.477	5.536	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C\c3ccc(OC)c(OC)c3)n2)cc1	4793375	RHWZZORWYNEJBP-MOSHPQCFSA-N	404.535	6.234	50	40	HKGB	
CCOc1c(Br)cc(/C=C(/C#N)c2cccc3ccccc23)cc1OC	6354821	UTHFVYFVWYGBHQ-BOPFTXTBSA-N	408.295	6.074	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc2ccccc12	6423368	DKYOEPUGIMRCQG-CJLVFECKSA-N	418.927	7.560	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1nc2ccccc2s1	13387935	IINVSCUOMRTFQT-SDNWHVSQSA-N	416.418	5.010	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1C1CCCC1	15231229	GZRJQHHRVFPOLP-YBEGLDIGSA-N	402.325	6.073	50	40	HKGB	
COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)[C@H](Br)[C@H]21	104038303	UMARPJVAPXVBEX-RCVZYCBYSA-N	407.348	5.007	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2[C@H](C)CC1(C)C	208329046	KJZDGPUGNMNLHE-ZWAQGKOVSA-N	415.581	6.270	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3ccc4ccccc4c3)c2C)cc1	408993350	VQGUWDNRRRXBKN-CEUNXORHSA-N	423.560	6.354	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1cccs1	409078263	HQDCPHBUSLNJAP-SSDVNMTOSA-N	405.306	5.398	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	409119206	RYYYROHWOZRUNV-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
C[C@H](P)[C@@H]1CCC[C@H]1P(c1cccc2ccccc12)c1cccc2ccccc12	585656276	FJSLNVSKVUMXRX-KIVTUJJHSA-N	414.469	6.858	50	40	HKGB	
CCCCOc1cccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)c1	2109859	FTIDQBINIFHCNK-MTDXEUNCSA-N	424.504	5.240	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2cc3ccccc3oc2=O)cs1	9090502	HIGYINGFKIVQDE-OQLLNIDSSA-N	424.403	5.999	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2cccc(Cl)c2)c(C)n1CC(C)C	12899461	OZEYGBKITOSOSE-YEWRBRKMSA-N	412.917	5.136	50	40	HKGB	
Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(Cl)cc2)c1CCCl	27585329	ANVPEFUUAWPUJE-UHFFFAOYSA-N	411.336	6.191	50	40	HKGB	
COc1cc([C@@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)ccc1O	103541279	IJQVUQYQRDWVLG-JOCHJYFZSA-N	418.518	5.604	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1cccc(Cl)c1	408592595	ZOPWYXAIAAGDKB-ZMOGYAJESA-N	400.309	5.094	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C)nn2-c2ccccc2C)cc1	408726646	SGYOMMRVDFWHQJ-WPWMEQJKSA-N	408.505	5.228	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2cc(C)cc(C)c2)cc1	408876429	OZJUFZRXEBZVOF-PCLIKHOPSA-N	424.544	6.011	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1Cc1cccc(F)c1	408884426	XUGQAONNHJOYMH-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1	409228849	FZAODKDEJLXSLQ-SUCHYCSPSA-N	424.978	6.337	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@@H]1c1ccc(Cl)cc1	409323259	MUZAHMSLVZZJBX-OAHLLOKOSA-N	423.752	5.919	50	40	HKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)s1	1454093	BWTNKNWCYNXCOC-GXDHUFHOSA-N	414.552	5.108	50	40	HKGB	
Cc1ccc(NCCCC(=O)N/N=C/c2ccc3ccc4cccc5ccc2c3c45)cc1	2079919	HLCYRQJAEQDOEB-UXHLAJHPSA-N	419.528	6.235	50	40	HKGB	
N#C/C(=C\Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2cccc3ccccc23)cs1	2205169	BIPDGMZAHFRLKX-NTCAYCPXSA-N	416.437	5.987	50	40	HKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(Cl)cc2)cc1	3193770	OGJDGLVSSUQHSH-AFUMVMLFSA-N	400.950	5.583	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c(Br)c1	4741521	NKEOWAQNZFERQG-SDNWHVSQSA-N	404.267	5.958	50	40	HKGB	
CSc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1	4923236	RPCLICPJZQLIHB-FQEVSTJZSA-N	421.591	5.245	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccccc2F)ccc2ccccc12)c1ccccc1O	10041794	QXKUSYAHMJGDLF-JFLMPSFJSA-N	414.436	5.027	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2)nc1-c1cc2ccccc2o1)c1ccccn1	49573537	BJYSFOOIBVTDGJ-STZFKDTASA-N	402.457	5.804	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)cc1	408599876	NKTYIKYFQPGILL-STBIYBPSSA-N	423.560	6.059	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2ccc(F)cc2)c1	408844054	GPIQZJBEECMODH-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccccc1F	408866488	GBHJWELZUGZBHD-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
Cc1cc(Br)c2nc(NC(=O)[C@@H](Br)C(C)C)sc2c1C	20133309	VEOPQEODVDTCMU-JTQLQIEISA-N	420.170	5.034	50	40	HKGB	
N#CC(NC(=O)c1ccc(F)cc1)=C(Sc1ccccc1)Sc1ccccc1	27988126	UYOTZUFNMMEVGA-UHFFFAOYSA-N	406.507	5.833	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccc(C(=O)O)cc1	33382372	FNVSRHTTXAABLU-ODLFYWEKSA-N	424.283	6.335	50	40	HKGB	
Cc1cccc(COc2c(Cl)cc(/C=C(/C#N)c3ccccc3F)cc2Cl)c1	33773865	LKFLHLBJLHMCKN-ZDLGFXPLSA-N	412.291	7.084	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)c1	208454693	MKNMKDMTWRSZPJ-ODLFYWEKSA-N	401.510	5.181	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc21	208466913	PBWIBFHDANOCRP-WYMPLXKRSA-N	402.325	5.389	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1Cl	408793866	QQLUPQDJUPQCIT-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408802545	YPYARCHMBKNGNX-NTEUORMPSA-N	419.706	5.435	50	40	HKGB	
N#C/C(=C\c1cccc(OC(=O)c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1	408883729	UOBNTRGEXGUUQT-QGOAFFKASA-N	402.837	5.105	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)C)cc1	408994940	IDNORISIBBTVAX-QRQIAZFYSA-N	409.533	6.135	50	40	HKGB	
CCOc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409190868	XHCWVSFLKIRGJH-XKZIYDEJSA-N	415.902	5.639	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1	409380607	OIVADLNZENALJK-MOSHPQCFSA-N	405.885	5.015	50	40	HKGB	
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCCCCl)c1ccccc1S2	2179105	FRUGVXUESPRRQP-UHFFFAOYSA-N	404.919	5.793	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\C=C\c2ccccc2)cc1	17167420	JYEDMWLKBSJUPO-RSVVTINCSA-N	405.501	5.882	50	40	HKGB	
Cc1ccc(/C=N\NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br	103129814	RUGCPZLVYBHZJQ-FMCGGJTJSA-N	407.267	5.421	50	40	HKGB	
C=C(/C(C#N)=C/c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1ccccc1N	110251004	XHRSARHXAKSXSI-XSFVSMFZSA-N	420.343	6.703	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	207148566	BCBUIDVTMNXUCG-KQWNVCNZSA-N	419.528	6.106	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C	208234248	PDATZXXNHFMFTE-PKIWBCANSA-N	401.554	5.825	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1C	408735282	PODRXAIKMWERMN-UDWIEESQSA-N	403.913	5.910	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1-n1cccc1	409019155	YGPWTRZBOMMKCK-ZXVVBBHZSA-N	411.505	5.573	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1OC	409376356	XNKBMDFLVODXMP-WPBJZHHJSA-N	409.835	6.609	50	40	HKGB	
N#C/C(=C\c1ccc2c(c1)OCO2)c1ccc(/C(C#N)=C/c2ccc3c(c2)OCO3)cc1	624532	VFOJFZBZLHOTFM-VGENTYGXSA-N	420.424	5.272	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	1190360	YSKSTVALBKXSOE-QNGOZBTKSA-N	421.500	5.552	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1	3150163	WMXXJRNVMWWEIE-RPPGKUMJSA-N	416.399	5.111	50	40	HKGB	
CCOc1ccccc1/C=C(/C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4020313	XKOYIOGALQAEMC-KQWNVCNZSA-N	408.526	6.940	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(F)(F)F)n2)cc1	5007574	AAHOIKRCNNTBRS-NTCAYCPXSA-N	415.440	6.204	50	40	HKGB	
C[C@@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	9096144	KXNCQRGGNKGHDE-UVHFLKEJSA-N	412.533	5.695	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2ccccc2C#N)ccc2ccccc12	9202468	JKSIQQZVGVZCES-STBIYBPSSA-N	419.484	5.363	50	40	HKGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	13576225	IWOKRHQBUSVFBU-SCELWYEFSA-N	424.953	5.550	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1F	40006620	BPSJIPNJTADCNV-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C)cc1	59116714	PXIBRXAMMJLRPJ-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(C#N)cc2)cc1	96499077	DYXAGKSCEAACGH-VEILYXNESA-N	404.473	5.088	50	40	HKGB	
CN(CC#N)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118918450	JOKRPORJXQCDAP-NKPDLQHQSA-N	421.025	5.004	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1	209377197	GCKUUXBRCZFQRY-ZROIWOOFSA-N	413.260	5.808	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1-c1ccc(-c2ccccc2)cc1	408734165	FASGDKJIMUGNKS-LFVJCYFKSA-N	421.500	5.578	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Br)c2)c(C)n1-c1ccccc1	408758755	QKZOTJWEQRVYNS-LDADJPATSA-N	420.310	5.402	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1	408781449	SKRMXQYMLPCMKH-XLNRJJMWSA-N	404.469	5.964	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408802348	ZJKWFZXULCYGBG-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OC(C)C	408808771	FZCUSEWXPZMVGA-OQLLNIDSSA-N	419.308	5.725	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)c(Cl)c1	408892535	CFICLGVQJJDZDJ-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccccc1Cl	409073973	OOIOZFBLDDUGQP-HZHRSRAPSA-N	415.920	6.720	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1F	409190971	XIZKYSRNHJBYRS-MZJWZYIUSA-N	419.887	5.554	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(C#N)cc1	409372804	QTICYUKVTIEMKS-WQRHYEAKSA-N	412.361	5.231	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3OC(F)F)n2)cc1	1247912	XRTLLSIHPNNDBL-NTCAYCPXSA-N	413.449	5.787	50	40	HKGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2cccc(C)c2)c2ccccc2n1	2089658	QABDISIRUGHOMK-WPWMEQJKSA-N	409.489	5.373	50	40	HKGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	4180482	OHRKVEDZXDCBTI-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1	6471781	WQQKHCZWBQDHMI-ODLFYWEKSA-N	401.378	5.146	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	20197816	QXDRXVDZPQKNDB-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC	35105504	XTFQUICPXDERMZ-XYGWBWBKSA-N	416.949	5.770	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@H]([C@H](Cl)C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl	104105650	RRUNQYYWDSEOKB-RBSKTQHPSA-N	401.375	5.712	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Cc2cccc(F)c2)c1	408866540	HYVZKWOGGAZPFQ-CPNJWEJPSA-N	420.871	5.624	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br	694370	ZODDKAFSMXZPOK-FSJBWODESA-N	423.266	5.121	50	40	HKGB	
CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC#N	1774543	MHNLBQJRFRWFAR-UHFFFAOYSA-N	408.595	5.401	50	40	HKGB	
CCCCCc1ccc(OCC(=O)N/N=C/c2c(OCC)ccc3ccccc23)cc1	2166127	DRXCXYIVHWQNJB-OVVQPSECSA-N	418.537	5.500	50	40	HKGB	
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c(C)c1	9369702	JZMAJWAERQLZKE-GZTJUZNOSA-N	424.367	6.474	50	40	HKGB	
C[C@@H](c1ccccc1)N1CSC2=C(C#N)[C@@H](c3ccc(Cl)cc3)CC(=O)N2C1	20348123	QJCMPYCCQIBKQI-HNAYVOBHSA-N	409.942	5.116	50	40	HKGB	
Cc1ccc([C@@]2(C)CC/C(=N/NC(=O)c3ccccc3)c3cc(C)c(C)cc32)cc1C	31671580	UTAJDXXHGYEEHE-XBKCOONKSA-N	410.561	6.154	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	35105572	ZDJKBYQUYNDKDE-LDADJPATSA-N	414.889	6.280	50	40	HKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](Cl)CC1=C[C@@H]3N	118924796	WIKSGAWKTUOFRC-XIVKUWEPSA-N	420.125	7.572	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccccc3-n3cccc3)cc21	208457669	DYMMWXLCBJFDRP-WPWMEQJKSA-N	412.537	5.181	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Cl)c1OCC(=O)O	408579608	IPWSNWROZJUKIT-NYYWCZLTSA-N	412.656	5.183	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)c(Cl)c1	408815040	RHOWOLJMAPHRDB-NVNXTCNLSA-N	419.714	7.258	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	408832664	YLTOBOMTQMPLBV-WGOQTCKBSA-N	405.885	5.055	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2cccc(F)c2)c1OCC(=O)Nc1ccc(F)cc1	409394391	ZVVYJBHSAXYYKK-PDGQHHTCSA-N	420.415	5.055	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)o2)cc1Cl	4893903	KNRZZKBLHAXOHP-DHRITJCHSA-N	404.853	5.531	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cccn1-c1ccc(C)c(Cl)c1	6390971	PYXCASLYLXAHGZ-CVKSISIWSA-N	417.896	5.365	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)nn3-c3ccccc3)o2)cc1	12461970	AQUFGDHBRGGNLS-HMMYKYKNSA-N	408.461	5.295	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c(C)c1	20194316	YDHFILHWMWKNLT-YDZHTSKRSA-N	411.299	5.019	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1Cl	59165222	VQMXDOCAPGHPAE-DHRITJCHSA-N	400.950	5.713	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223505253	WUSFMRCNHOLUGJ-JFLMPSFJSA-N	419.569	5.486	50	40	HKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1	226340922	XVICVHGUBVZBQS-ZZXKWVIFSA-N	404.062	5.599	50	40	HKGB	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408767062	VHEZVYGJDIDATI-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1C	408795099	LDZDKSCFVKDNJV-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1nc2ccccc2[nH]1	409212183	PVSGHWCBZSKGCD-KQWNVCNZSA-N	424.507	6.783	50	40	HKGB	
CC1(C)CC(=O)C2=C(C1)N(Cc1ccccc1)C(N)=C(C#N)[C@@H]2c1ccc(Cl)cc1	715083	GFXFEIYYHVYRPJ-QFIPXVFZSA-N	417.940	5.276	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	4599439	QIWFRQIUAZYYEL-RCCKNPSSSA-N	421.500	5.552	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1	6155529	SWIXSXHMLQNQCO-XKZIYDEJSA-N	414.461	5.945	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCSc2ccc(Cl)cc2)c(C)n1-c1ccccc1	28217010	ZYKBBUZURJDTMT-BUVRLJJBSA-N	411.958	5.380	50	40	HKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59474263	SYBJGLBBJVMULS-SCELWYEFSA-N	424.953	5.550	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	100839899	WVZSEMPRZDMTDS-UYRXBGFRSA-N	403.507	5.580	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c(C)n1-c1cccc(Cl)c1	408598646	GZRICVASIZAKMF-YBFXNURJSA-N	404.926	6.281	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)c1	408788824	IBBJTMKFAXHFQB-MOHJPFBDSA-N	417.512	6.307	50	40	HKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408962210	XJICYTSGHCNWIT-WJDWOHSUSA-N	400.309	5.448	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(Br)c2)cc1	409009592	GOUUMZIXVFFIPO-VBKFSLOCSA-N	406.283	5.094	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)C(=O)NC1CCCC1	409196789	YXMZSUGRVJCONK-LCYFTJDESA-N	419.706	5.328	50	40	HKGB	
c1ccc([C@@H]2COC([C@H]3CCCCN3P(c3ccccc3)c3ccccc3)=N2)cc1	1988187996	HBWSZKUXZKWRPU-LOSJGSFVSA-N	414.489	5.059	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(C(=O)O)cc1	2332587	MLNUSVIXIGTSOT-XDHOZWIPSA-N	421.294	5.619	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2c(Cl)cccc2Cl)c1)c1nc2ccccc2[nH]1	6143407	MNGAEPAFTSLZOP-WJDWOHSUSA-N	420.299	6.513	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc2ccccc2c1	6381076	LTURTNHABONDTA-UCQKPKSFSA-N	409.460	6.631	50	40	HKGB	
N#C/C(=C\c1ccc(N2CCCCCC2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	14152301	BRCCJLWEZLNFHS-DTQAZKPQSA-N	420.538	5.018	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(C)cc1	33778035	PWYMFQSZYQHFNM-NDENLUEZSA-N	421.899	6.829	50	40	HKGB	
N#C[C@@H](Cl)Cc1ccc(Cc2ccc(C[C@@H](Cl)C#N)c(Cl)c2)cc1Cl	59103301	UFJCXQOPQINIQO-CALCHBBNSA-N	412.147	5.931	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2cc3ccccc3oc2=O)cs1	90427190	UDAHFYUAWWOISJ-JLHYYAGUSA-N	407.401	5.171	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	102970579	SFPGMTKIPSDYDE-QBHDBVHESA-N	404.554	6.210	50	40	HKGB	
CCCCCCCCCCCC(=O)N/N=C(/c1ccccc1)c1ccc(Cl)cc1	104163803	ZZRALUIEBAWMGO-FVDSYPCUSA-N	413.005	7.130	50	40	HKGB	
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1ccc(Br)cc1	226337222	YJIFVWZORDRCDU-QPJJXVBHSA-N	416.098	5.469	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	408581633	YBZFTRLFHJYDLG-FYJGNVAPSA-N	416.908	6.039	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408583509	VGXSAYZQLLJDOM-GZTJUZNOSA-N	414.299	5.485	50	40	HKGB	
C/C(=N/NC(=O)Cc1ccc(C)cc1)c1ccc(OCc2ccccc2Cl)cc1	408737477	RLBSFLNMRRDSBH-ITYLOYPMSA-N	406.913	5.310	50	40	HKGB	
O=C(Cc1cccs1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	409200347	KYRIONCHKQMHSH-ZMOGYAJESA-N	407.926	5.097	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1cccc2ccccc12	409368060	QTULIQLZAJGFAV-MYYYXRDXSA-N	416.480	6.363	50	40	HKGB	
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc(S(=O)(=O)SCC)cc2)c1	4785840	PJCHGOMMHSQWHN-UHFFFAOYSA-N	418.584	5.218	50	40	HKGB	
N#C/C(=C\c1ccc([C@@H]2C[C@H]2c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	9489491	AGEDWEAXZSVYNK-ISCMGLGLSA-N	423.299	6.403	50	40	HKGB	
CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C3CCCCC3)cc2)cs1	13027810	BQUZMRXFYXNTDK-XQNSMLJCSA-N	414.574	7.321	50	40	HKGB	
C/C(=N/NC(=O)c1ccccc1OCCOc1ccccc1)c1ccc(Cl)s1	34705624	FUNKYOPXJXYRPV-HAHDFKILSA-N	414.914	5.013	50	40	HKGB	
Cc1cc(Cl)ccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	57476847	OKRSFNNFCHNUDL-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(F)cc1	58823433	IVUGOAZJGQKMMM-MOSHPQCFSA-N	418.424	5.776	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1ccc(C(=O)O)cc1	408540801	BVBXIVVLVUMDLR-GRSHGNNSSA-N	424.283	6.335	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1C	409074872	NKIHULUUIBQXSP-RGEXLXHISA-N	418.949	6.654	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	409147793	NRAHPPNZNPZGMZ-VBYICHLGSA-N	409.530	5.173	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1C	409214026	WWVWVGZOJQDUOF-FOWTUZBSSA-N	410.395	6.128	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)N1CCCCC1	1408585	DDHPSPUHJPFUNS-LDADJPATSA-N	415.320	5.492	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	5568562	ABLKJSJLQZHSHR-BRJLIKDPSA-N	406.791	5.312	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c1	28216711	SMEXUMYQEFVYHQ-YYHBXHNPSA-N	419.594	5.483	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	59335482	BGSMQGGFYOMOGX-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
O=C=Nc1ccc(Oc2c(F)c(F)c(Oc3ccc(N=C=O)cc3)c(F)c2F)cc1	100485388	XBWONKPZVUJGRU-UHFFFAOYSA-N	416.286	5.762	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3ccc(Br)cc3)cc2[C@H](C)CC1(C)C	208319349	CLIKTUGEQQJQBJ-SYERDGIWSA-N	423.398	6.934	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)ccc1Cl	252481723	CQYGVXMLSOIAAS-LFIBNONCSA-N	420.852	5.241	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccccc1	408819326	QAVHCIDTAXWZEM-SWEABUAFSA-N	420.852	5.083	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2cccc(F)c2)cc1)c1cccc(C(F)(F)F)c1	408963359	NMUHFIXUBZJUNR-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
CC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1	408981334	AJOWTLJIFBMRCP-PDGQHHTCSA-N	404.853	5.657	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c(OCC)ccc4ccccc34)cc2c1	409187105	MCUYROHRPICHSS-MYYYXRDXSA-N	402.450	5.147	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3ccc(Cl)cc3)o2)c(Br)c1	409191082	SBFMMPFBTTWWFA-JJFYIABZSA-N	417.690	5.435	50	40	HKGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1Cl	409312834	MSPBLCVSHICYSG-OAHLLOKOSA-N	419.333	5.274	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)n1	409379322	WDLLPCBZSAHHBY-HZHRSRAPSA-N	407.473	5.480	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N/c2ccc(-c3cscn3)cc2)cc1	1751794	YBSQMNBJYSWCAI-YDZHTSKRSA-N	404.366	5.845	50	40	HKGB	
O=C(c1ccccc1)[C@@H](Br)CC[C@@H](Br)C(=O)c1ccccc1	2568424	CYMCSOQEVOCQBZ-IYBDPMFKSA-N	424.132	5.059	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(OCc2ccc(F)cc2)cc1	4180283	MYOQPVLIPHXYPK-OGLMXYFKSA-N	412.464	5.251	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1Cl	4696732	ZYMUOURINAGDSO-LDADJPATSA-N	415.880	5.868	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	30937330	WERFFMCWQQNAFU-QFEZKATASA-N	410.901	5.427	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2[N+](=O)[O-])cc1	32124678	HYGMNSODQJUDSY-AQTBWJFISA-N	421.522	5.410	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	33756813	QGGKIMVWUXUCKP-JWGURIENSA-N	411.549	6.246	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1	59432783	UMJHXUNCLNOQQS-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1)C(=O)c1ccccc1	83296353	MJENZXYTVATJAD-LDADJPATSA-N	422.267	6.002	50	40	HKGB	
Cc1sc2nc(/C(C#N)=C/c3ccc(-c4ccccc4F)s3)nc(O)c2c1C	96997912	HDXQIJJGLWVEGU-UKTHLTGXSA-N	407.495	5.946	50	40	HKGB	
Cc1ccc([C@H](Br)[C@H](Br)C(=O)c2ccc(Cl)cc2)cc1	101673931	XXMVXJKXJBKZRP-GJZGRUSLSA-N	416.540	5.731	50	40	HKGB	
O=C1C(=C2CCCC2)CC/C1=C1\SS/C(=C2\CCC(=C3CCCC3)C2=O)S1	104198403	SYNOZXWMRTWNAH-KSTNYAOJSA-N	416.633	7.005	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	209390486	HXWKRMGFQOLRQW-UVTDQMKNSA-N	400.331	5.650	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3cccc(C(F)(F)F)c3)c2c1	408775440	HBENCYRRUHHPSA-AQTBWJFISA-N	411.423	6.720	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408812289	LMLLOFXZTSNLML-VTFRSSIHSA-N	403.309	5.855	50	40	HKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1c(Cl)cccc1Cl	408890090	NPFBPNIICNBJTL-GHRIWEEISA-N	417.295	6.845	50	40	HKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccccc1Cl	9693168	WSFPTZBYIXUOSS-MRXNPFEDSA-N	416.333	5.213	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1sc2c(c1C#N)CCCC2	12363442	YARNGUZODULFAU-PDGQHHTCSA-N	423.545	5.847	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccccc3Cl)c2C)cc1	28217324	VPWUJMRBTLKYBF-ZMOGYAJESA-N	411.958	5.298	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c1C	33403837	DZRXNFNDCWRIHA-WQRHYEAKSA-N	416.912	6.005	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	107957221	PYYOHCSXWCSRHC-OQKWZONESA-N	420.553	6.289	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1cccc(N2Cc3ccccc3C2)c1	408729488	GHPYHERXYLHPEU-BRJLIKDPSA-N	410.304	5.278	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1	408791904	FCHURJSQOABSFK-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
O=C(c1ccc(Cl)s1)[C@@H](Cl)[C@@H](Cl)c1ccc(Br)s1	1685377	VOZIGMOIWKPGSM-UWVGGRQHSA-N	404.565	5.996	50	40	HKGB	
CCCCCC(O)(CCCCC)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1	4492586	SVRRWFOPBVTNSW-UHFFFAOYSA-N	410.602	6.555	50	40	HKGB	
CCOC(=O)/C(C#N)=C\C1=C2OC(c3ccccc3)=CC(c3ccccc3)=C2CCC1	5591956	JZPPHFUGQVXJOB-JWGURIENSA-N	409.485	5.963	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2F)c2ccccc12	5740618	LBGHLPPKLRFHMJ-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccn2)ccc1OCc1cccc(C(F)(F)F)c1	5868322	HYINQSZRTBXSOM-WOJGMQOQSA-N	410.395	5.752	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccc(F)cc1	8812470	VOUNZBCHKJEKFP-LGJNPRDNSA-N	405.860	5.246	50	40	HKGB	
CCCSC1=C(C#N)[C@@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1	21630087	WMOMHSGXKNWINE-NRFANRHFSA-N	423.538	5.075	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)[nH]c2c1	33598308	LQRHORDFALHNQZ-ZHZULCJRSA-N	420.491	6.386	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)c1C	59201449	XEKUYDLRCBEHRM-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccc(C(=O)O)cc2)c2ccccc2n1Cc1ccccc1C#N	107652000	FHPQBDAHDFZFPX-UCQKPKSFSA-N	417.468	5.632	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208438395	ZENNKZOTOOCIJY-WYMPLXKRSA-N	402.325	5.389	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccccc1	408741865	LRXNMOOOESXBBV-WQRHYEAKSA-N	423.299	6.118	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)c1	408744938	IISPPHBXVNBDNI-HMAPJEAMSA-N	413.521	5.655	50	40	HKGB	
O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1	408847372	VIVYXZMOHTZMNE-FSJBWODESA-N	423.881	5.164	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@H]1c1ccccc1	1436479	CHQGYINRQDFVIB-FQEVSTJZSA-N	409.411	5.010	50	40	HKGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1ccc(Cl)cc1Cl	1453909	QXLNLHUAKPTURI-BJMVGYQFSA-N	412.070	5.007	50	40	HKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N/c1ccccc1-c1ccccc1	1681853	OFIFGNIXFQSCTA-OVVQPSECSA-N	411.376	6.697	50	40	HKGB	
CCCCCOc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)[nH]n2)cc1	4677816	HLFGZPJVULSMLB-IZAVNHFDSA-N	402.498	5.075	50	40	HKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2cc3ccccc3oc2=O)cs1	4853353	GJENEKJTGINARS-UNOMPAQXSA-N	406.466	6.134	50	40	HKGB	
N#C/C(=C\c1ccc(O)cc1)c1nc(CSc2nc3ccccc3s2)cs1	5577165	YKDWDNFZKVOIOF-NTEUORMPSA-N	407.545	5.815	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3cccc4ccccc34)[nH]c2c1	33851608	ASHJODVMLKZXMU-KQWNVCNZSA-N	415.496	6.668	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cc2ccccc2o1	59303687	SYVJWPCYVNAJDP-SSDVNMTOSA-N	409.785	5.018	50	40	HKGB	
CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)[C@]12C)(C(C)C)C(C)C	195773215	MAEFGDXAOKXWIQ-SLSDLSHTSA-N	413.678	6.220	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(C(=O)O)c2)cc1OC	408579207	DRGIKIGGBVYBCJ-UDWIEESQSA-N	415.445	5.045	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc2ccccc12	408772930	OBBSLAXVPJGGSD-JLPGSUDCSA-N	410.517	5.579	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc(Cl)c1OC(C)C	408801659	WSCVNZQEIUPSFP-VCHYOVAHSA-N	412.917	5.688	50	40	HKGB	
Cc1ccc2nc(Sc3ccc(/C=N\NC(=O)c4cc5ccccc5o4)o3)[nH]c2c1	408855812	FPJGFKRARDORHO-FMCGGJTJSA-N	416.462	5.126	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Cc2ccccc2F)c1	408881588	NOYAYNIVIUHXSK-XDHOZWIPSA-N	404.416	5.110	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)cc1	409075937	VXXFGMPMCKCPIU-SSZFMOIBSA-N	408.885	6.176	50	40	HKGB	
Cc1ccc(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c(C)c1	1801159	NHMWGCDTQAYUQC-CVEARBPZSA-N	411.137	5.142	50	40	HKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(C)s1	4651576	VBAOEZMYRIXOAB-XIEYBQDHSA-N	419.575	6.186	50	40	HKGB	
COc1cccc2c3c(c(/C=C/c4ccccc4)nc12)C[C@@H](C(Cl)Cl)S3	4955708	TZCAJAANKBOPJJ-ZGKFYVQTSA-N	402.346	6.234	50	40	HKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@H]1c1ccccc1Cl	9693157	JQQGESUSSRTXHB-INIZCTEOSA-N	416.333	5.213	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c1C	59202156	JUFJTJPWMLUNSU-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1	59432942	QATXULBZLKHUPE-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1noc([C@@H]2CCCN(C(=O)Nc3ccc(S(F)(F)(F)(F)F)cc3)C2)n1	102152763	WGCVTWCRBKGKRY-LLVKDONJSA-N	412.384	5.447	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2[C@H](C)CC1(C)C	208311191	CEBXXDOQRQSNGG-BKAYVGFPSA-N	409.371	6.625	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4ccccc4o3)c2C)cc1	408848765	TXFXMYAJOSQSBV-PKAZHMFMSA-N	413.521	5.947	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2c(OCc3ccccc3)ccc3ccccc23)n1	408980033	TVRKVFYLWMFYKV-PXLXIMEGSA-N	407.473	5.480	50	40	HKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(C(F)(F)F)c1	409243497	WZINSKTYXYLUIN-CIAFOILYSA-N	420.409	6.912	50	40	HKGB	
CCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3s2)cc1	2313372	ZEYAWPZDBWSBFH-HYARGMPZSA-N	413.568	5.108	50	40	HKGB	
N#C/C(=C\c1cc(Br)ccc1OC(F)F)c1nc2ccccc2s1	5601057	FDEALBOSBKNFTC-YRNVUSSQSA-N	407.239	5.724	50	40	HKGB	
O=C(N/N=C1/CCCCc2ccccc21)c1cc(-c2ccccn2)nc2ccccc12	6045899	OGCMKLKCEAXDMH-FAJYDZGRSA-N	406.489	5.157	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	26123802	YKVIIYDSAUVMLF-FSJBWODESA-N	403.265	5.416	50	40	HKGB	
N#C/C(=C\c1ccccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1	33658523	KXXRHSLFVMZOHY-LDADJPATSA-N	423.299	6.075	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(O)c1	59335895	SAZLCUAFRPBQRT-UVTDQMKNSA-N	404.297	5.091	50	40	HKGB	
N#CC(C#N)=C1SC(=N/c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1	84459962	MLADKRXBDKHQRM-ZQTJXMKKSA-N	405.486	5.959	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccccc2)ccc1OCC(=O)Nc1cccc(C)c1	108604322	UJQJLVPMPZOHIV-PXLXIMEGSA-N	412.489	5.475	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C(/C#N)c2ccc3ccccc3c2)c1C	408549504	URABLHANOLAVFU-UCQKPKSFSA-N	423.472	6.228	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)cc1[N+](=O)[O-]	408566951	JHPLJICTHMRURK-MFKUBSTISA-N	419.481	5.154	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cc2cc(Cl)ccc2nc1Cl	408728783	UBZJQQQEBOQRQH-LSFURLLWSA-N	424.740	5.437	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cc2cccc(F)c2)c1	408866800	JCWMZPLYGFRRGI-HYARGMPZSA-N	414.480	5.588	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3)c2)cc1Cl	408936513	KSBATGSMUDPFBW-NDENLUEZSA-N	402.881	5.773	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(Br)c2)cc1	409010707	DDAJIJRSOUOYGX-LGMDPLHJSA-N	420.310	5.348	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2Br)cc1	409394142	WHADNUGSWDWOJD-JAIQZWGSSA-N	422.297	6.540	50	40	HKGB	
CCOC(=O)c1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	1453323	CNWNWGIOFJBOFB-DTQAZKPQSA-N	420.852	5.322	50	40	HKGB	
CCN(C(=O)COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1)c1ccccc1	9187330	BFDOOQMZAAMNAR-CAPFRKAQSA-N	422.488	5.059	50	40	HKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H]1c1cccc(Cl)c1	9281650	MIFJHPHIYHAUMN-NRFANRHFSA-N	424.891	5.411	50	40	HKGB	
N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc2[nH]ccc2c1	31820457	RANGRROUGAQCBV-JOCHJYFZSA-N	414.896	5.126	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1C	59432693	JUHMDSAIVKXEKD-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(N2CCCC2)c2ccccc12	107771779	QAGUSEUJLCSVMW-MTDXEUNCSA-N	423.516	5.366	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccccc1F	107830638	RRAUXACSZUHNDO-PTNGSMBKSA-N	405.341	5.499	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(CC)C(C)(C)C[C@@H]3C)cc1	208330608	JPGFGGTYGFHLRA-MAGMUUGSSA-N	415.581	6.215	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2C)o1	408819182	YMFLAHINRBDPOH-RVDMUPIBSA-N	421.840	5.671	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c(C)c1	408858374	OYCJDJDVLXEKTM-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1C	408866031	FKGZYFOPWSMTDL-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2ccccc2)cc1OCc1cccc2ccccc12	408888212	TYNVEAZQZHUPPQ-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(OCC)c1O	409071224	PZQAKFUVKYYSPL-MHWRWJLKSA-N	416.399	5.084	50	40	HKGB	
CCOc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)o2)cc1	409187929	VTCFHXYQNJBYQJ-XKZIYDEJSA-N	415.902	5.639	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c1	3232281	OOWLJQDFSYTBJX-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@H]2CC/C=C\CC/C=C\CC[C@@H]12	4466829	CXSVWIBMCMBREG-UKZMPQFGSA-N	401.348	5.228	50	40	HKGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	5370199	CYJYPIXUTIODNJ-JOLUNXFOSA-N	406.529	5.754	50	40	HKGB	
Cc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	6477723	CKMPSSPZOFUQBY-MRXNPFEDSA-N	403.334	5.574	50	40	HKGB	
Cc1ccc(-c2oc(/C=C/C(=O)Cl)cc2Br)c(Br)c1	57353797	LEEUTYSMMXZXAU-HWKANZROSA-N	404.485	5.559	50	40	HKGB	
COc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1cccc2ccccc12	58871502	DDHVMTFZFUWRNO-MTDXEUNCSA-N	424.500	5.120	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1	408589107	YQCBHELMOHGULI-ZDLGFXPLSA-N	414.719	7.290	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1	408591582	UYVYYOGDCRJZIB-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1cccc(C(F)(F)F)c1	408762600	LFYLIZQZJCOCGY-ZROIWOOFSA-N	417.770	6.381	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1Cc1cccc(F)c1	408868330	PQRQCPSEIRXNSO-PXLXIMEGSA-N	414.480	5.533	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cccc(C(F)(F)F)c1	3183553	ORTLOQMKCMTRGJ-UHFFFAOYSA-N	423.463	6.920	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(/N=N/c2ccc(C)c(C)c2)ccc1O	4544150	NVBTXXKHKBMPAG-IPIVFHEZSA-N	402.454	5.197	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	4953602	XVJHBTXQFUHBQP-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1ccccc1	6190297	XBPMFMIDJRWHNU-ATJXCDBQSA-N	415.496	6.702	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)c1	6967163	NJHXYWFODOYBKF-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
N#CC1=C(SCC(=O)c2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@H]1c1ccco1	20029465	YBZOERGIPNAFGS-HXUWFJFHSA-N	424.909	5.818	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)cc1OCC	28632499	QIBBAULVNPPRLU-VNPDFKGRSA-N	408.542	5.035	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2C(C)=CC1(C)C	208521199	VFEODQMYMVVIEL-XKZIYDEJSA-N	413.565	6.179	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2)c(C)c1	216038658	MZACTLHPBZIDPW-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
N#C/C(=C\c1cc(Br)ccc1Br)c1nc2ccccc2[nH]1	408718264	PWLNBSIGRGPUSA-YRNVUSSQSA-N	403.077	5.152	50	40	HKGB	
O=C(NN=C1CCCCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1	408864773	ZFABJIVLFANJGQ-UHFFFAOYSA-N	417.597	5.581	50	40	HKGB	
O=C(CCCCBr)c1ccc(Br)cc1OC(F)(F)F	575362653	RYEUZRLDYYCHIT-UHFFFAOYSA-N	404.020	5.096	50	40	HKGB	
CCc1ccc([C@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1	713491	FRYANFSEQFAWJR-DEOSSOPVSA-N	411.549	5.498	50	40	HKGB	
Cc1ccc(C(C)C)c(O[P@@](=O)(c2ccccc2)c2nc3ccccc3s2)c1	3166458	IILFQDFMWMWASZ-MHZLTWQESA-N	407.475	6.036	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1ccc(Cl)cc1)c1cc2ccccc2o1	83307424	ZDIWGNOPQVHEJF-QFEZKATASA-N	404.853	5.429	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc2ccccc2c1	108008909	RVRAQCDYUDBGTP-PDGQHHTCSA-N	400.821	6.726	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)[nH]c2cc1C	408545048	YBKNSUFCDJIPES-NTEUORMPSA-N	408.288	6.811	50	40	HKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)c1	408599530	VTKBBQHBKCITEN-WGOQTCKBSA-N	412.445	5.040	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1	409069694	XDOVYYUTXULJQY-YDZHTSKRSA-N	401.318	5.909	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)cc1[N+](=O)[O-]	409176548	QWTNJEWQXAFEJU-MFKUBSTISA-N	413.433	5.009	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc(F)c1	409394006	UFSVYTHVJQDAON-QNGOZBTKSA-N	413.879	7.275	50	40	HKGB	
Cc1cc(NNC(=O)c2ccccc2)nc(SCc2c(Cl)cccc2Cl)n1	832562	SMVPUYQPDBJPFL-UHFFFAOYSA-N	419.337	5.141	50	40	HKGB	
CCOc1cc(C=C(C#N)C#N)ccc1OCC(=O)Nc1ccccc1-c1ccccc1	842709	FUWMALZEIYYWIT-UHFFFAOYSA-N	423.472	5.200	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C	1061835	QRLCKIZOPDUZEN-RVDMUPIBSA-N	411.288	6.416	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	1782611	MOPVDAOSJPEYES-GWVNWDGKSA-N	424.500	5.433	50	40	HKGB	
CC(C)(CCl)C(=O)Nc1ccc(Oc2cc(C(F)(F)F)ccc2Cl)cc1F	2152103	UNQCGQWCQZJNGO-UHFFFAOYSA-N	424.221	6.494	50	40	HKGB	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c2ccccc21	2343648	QWLMUUBYHZBOEZ-UVTDQMKNSA-N	409.276	5.407	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	4705382	IILDRLVEMUMKNG-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
N#C/C(=C\c1ccc(N2N=C(/C=C/c3ccccc3)C[C@H]2c2ccccc2)cc1)C(N)=O	4827020	QKIOVFZTKVTAON-JRGHHWRYSA-N	418.500	5.100	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(\C#N)c3ccc(Br)cc3)c2C)c1	4853862	WZRLQHDOGWGITM-FYJGNVAPSA-N	405.339	6.538	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	20764387	SVJRTJPRVSCXEF-AFUMVMLFSA-N	409.917	5.219	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	39884503	GUVHBQYGHMXRTJ-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)c(C)c1	59201708	PFIRIDSTLMRETP-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N/N=C/c5c[nH]c6ccccc56)(C4)C2)C3)cc1	100845855	ZWRALQDDTNOFIJ-VLGGWIHASA-N	411.549	5.465	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1ccccc1Cl	408810210	LRZVSZVNMQETBM-PUMYGXPMSA-N	412.917	5.139	50	40	HKGB	
Cc1ccc(NC(=O)c2c(NC(=O)CCl)sc3c2CC[C@H](C(C)(C)C)C3)cc1	409116034	LFFRFBNPUJOTKA-AWEZNQCLSA-N	418.990	5.637	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)cc1C	59432675	NVRHYNMSZLZHMI-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc5ccccc45)c3C)nc2c1	107650493	ZEAZTMJLOHAWIN-JCMHNJIXSA-N	402.501	6.496	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](N)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118924788	WIKSGAWKTUOFRC-RVOWOUOISA-N	420.125	7.572	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1ccc(Cl)cc1	408542721	KSBRPALQORKHDS-WJDWOHSUSA-N	402.837	5.698	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3CC)c2C)c1	408744180	DIWJCGYBFNMHCJ-JCMHNJIXSA-N	413.521	5.601	50	40	HKGB	
N#C/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccc(Br)cc1	408754114	PKXAVRLLMVLLHJ-ATVHPVEESA-N	403.279	5.247	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)o2)c(Br)c1	408798167	UYOCKNUBWADCEY-SDNWHVSQSA-N	423.266	5.269	50	40	HKGB	
O=C(N/N=C/c1ccccc1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	408843072	LMUMQVHQBLTRGT-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3ccccc3CC)c2C)c1	408968603	XULYZBUXGKLGPN-YUMHPJSZSA-N	417.553	5.056	50	40	HKGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	9057005	ZBGKUMDLQJJFHT-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)c1ccc(NC(=O)c2ccoc2C)cc1	15931425	JMOIDINZRSYJPK-YUMHPJSZSA-N	423.557	5.533	50	40	HKGB	
COc1ccc(C2=C/C(=C(/C#N)c3nc4ccccc4n3C)c3cc(C)ccc3O2)cc1	32735811	XPEFPPFWYLHLIP-LSDHQDQOSA-N	419.484	5.758	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	59254929	URFSOQVCQSAEQU-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1cc(C)c(C#N)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1	101461915	CESMQIQOMYPWAZ-UHFFFAOYSA-N	407.457	5.379	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OCC	408538412	MNTLFDGAENZRLT-PGMHBOJBSA-N	406.526	5.899	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1	408810168	KAGXHWPSNOIYNT-YBEGLDIGSA-N	411.839	5.571	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1OC	408813314	QAYZIRQIVNMGEP-FOWTUZBSSA-N	406.869	5.446	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1cc2c(ccc3ccccc32)o1	2159464	NKEGGTFFODCAQO-OGLMXYFKSA-N	420.468	5.929	50	40	HKGB	
CC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@@H]1c1ccco1	5266861	JKIMHFDUQLHSGD-HSZRJFAPSA-N	400.503	5.651	50	40	HKGB	aggregator
C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](OC(=O)N(CCCl)N=O)CC[C@@]43C)[C@@H]1CCC2=O	5440296	FULFKXIGCUQZJE-WSKGSGNSSA-N	424.969	5.326	50	40	HKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)O[C@@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl	263584182	LRWHHSXTGZSMSN-SOXVIFEPSA-N	411.754	5.224	50	40	HKGB	
N#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408744248	DPDXXCPFUWQDJB-GHXNOFRVSA-N	406.656	5.095	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(C)c(C)c2)c(C)c1	408803622	RHUGEKVBFPWVST-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1cccc(C(F)(F)F)c1	408850660	QMMGJIRPZBNQDQ-UITAMQMPSA-N	421.010	5.888	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2cccc(F)c2)cc1Cl	408877091	PRJMMSTUXYDFFJ-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	409360306	DQRNTVIMFMTCIE-YSURURNPSA-N	422.699	5.469	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc5ncccc5c4)c3C)[nH]c2c1	409392343	PBZLSJVSYJDRLA-NDENLUEZSA-N	419.488	5.591	50	40	HKGB	
Cc1ccc(NC2=N[C@@](c3ccccc3)(C(F)(F)F)C(C#N)=C3C=CC=CN23)cc1	6044383	VGLKPQAMBXHLJK-JOCHJYFZSA-N	406.411	5.398	50	40	HKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1ccccc1OC(=O)c1ccccc1	8387623	OYNIQHSZDQDOMS-NRFANRHFSA-N	424.481	5.339	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1ccc(C(F)(F)F)cc1	59301839	OTNVUBHIDKCRSB-LCYFTJDESA-N	411.221	5.725	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl	59336106	GBAKMCYLSPXHGL-RAXLEYEMSA-N	401.224	5.938	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)CCCC(=O)N/N=C/c1ccc(C(C)(C)C)cc1	59488451	DMNYGLFOSFHSHG-MFKUBSTISA-N	413.949	5.205	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)NCc2cccs2)c1C	59534491	POIMENCCXJDTJE-WOJGMQOQSA-N	409.942	5.341	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccccc1Cl	408567438	NIAKKLNPHAEDJF-UUYOSTAYSA-N	414.892	6.254	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3F)nn2-c2ccccc2C)cc1	408727878	YMWHXFQDIZCCBH-JVWAILMASA-N	412.468	5.059	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	409121675	ZATXBMRJOCLJCM-WGOQTCKBSA-N	419.594	5.652	50	40	HKGB	
Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccc(Cl)cc1	409196509	ZYQSSLCGJNTEHK-RGEXLXHISA-N	417.940	5.617	50	40	HKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1	3081485	ZBHVZKXYFVFOMB-PXLXIMEGSA-N	403.320	5.172	50	40	HKGB	
CCc1ccc2[nH]c(C)c(CC(=O)N/N=C(/c3ccc(C)cc3)c3cccc(C)c3)c2c1	4672849	JBNVFRDZFBWPOQ-PNOGMODKSA-N	423.560	5.767	50	40	HKGB	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	4713559	XVBLKXKJUOMOSZ-FLFSDYGHSA-N	422.956	5.688	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3C)n2)cc1	4794870	HUABANRNJWBEEQ-FOWTUZBSSA-N	406.467	5.402	50	40	HKGB	
N#CC1=C(N)Oc2c(Cc3ccccc3Cl)cccc2[C@@H]1c1ccccc1Cl	6258638	DYXAHHBTUBAZLU-NRFANRHFSA-N	407.300	5.802	50	40	HKGB	
CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1ccc(Cl)cc1	6393325	HMFYWVPVGYBNMK-SXRSNHDLSA-N	408.933	5.277	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)cc1	8688073	HATDGSRMPGMQCO-GHRIWEEISA-N	422.579	5.740	50	40	HKGB	
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	9170044	XNPNBKNNAOBCRG-NVNXTCNLSA-N	415.301	5.968	50	40	HKGB	
C/C(=N\NC(=O)CCSc1ccc(Cl)cc1)c1ccc(Br)cc1	20248726	CVFHJIVLEOSWBE-UDWIEESQSA-N	411.752	5.125	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)c1	59473440	WQOJFAVYEPOOPC-JFLMPSFJSA-N	412.558	5.993	50	40	HKGB	
COc1ccc([C@H]2CC(c3ccccc3)=C(C#N)C(=O)[C@H]2C(=O)c2ccccc2)cc1	103114099	ZKMAEMWRXOFJJS-ILBGXUMGSA-N	407.469	5.228	50	40	HKGB	
CC(C)[Si](OCC/C=C\[C@@H]1CCC(=O)[C@@H]1[C@@H](O)C1CCCCC1)(C(C)C)C(C)C	263592629	AIFDEPAJGQREQC-PJXZKHOUSA-N	422.726	6.661	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	408877377	RBEFPESEASUZNK-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1ccc(I)cc1	409368955	UNWSHBZPABLAIT-PTNGSMBKSA-N	415.205	5.754	50	40	HKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	1857242	CUYHEQIISHLPNZ-LFIBNONCSA-N	424.323	5.752	50	40	HKGB	
CCCCCCOc1ccccc1C(=O)NN=C1CCCCCCCCCCC1	4695824	SEQPZHMLSZSWNV-UHFFFAOYSA-N	400.607	7.036	50	40	HKGB	
N#C/C(=C/c1c2ccccc2cc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl	9949181	GLHFXYAOUXQIHG-LGMDPLHJSA-N	417.295	6.845	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1F	33546644	HEJXPMJCKUINNQ-YVLHZVERSA-N	411.835	6.270	50	40	HKGB	
CC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527799	VHMDGYOMKMTBQB-BYPYZUCNSA-N	402.038	5.058	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2[C@H](C)CC1(C)C	208304886	IWTUXSIYFNQEKC-RTMGKINMSA-N	414.553	5.353	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408590861	QUDZOKLSOVVVLR-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2cccc(Cl)c2)cc1Br	408598707	IZRMWJQFGPBNLR-ACAGNQJTSA-N	411.524	6.238	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccc(C)cc2)c1	408809331	KZLDKWHMWZUPAC-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
O=C(CCCCCBr)c1ccc(Br)c(C(F)(F)F)c1	575362600	GVAHGZPVHGZUDU-UHFFFAOYSA-N	402.048	5.606	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cccn1-c1ccc(Br)cc1	1096990	HVHXKRJNEXGVLK-SAPNQHFASA-N	420.310	5.348	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	1189490	IMUHZCZGVYFFJS-PDGQHHTCSA-N	405.885	5.302	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3cccc(Cl)c3)C2)[C@H]1c1ccc(Cl)cc1	2277074	MUFRDFAWCLSHJZ-VLIAUNLRSA-N	411.288	5.202	50	40	HKGB	
Cc1ccc(NC2=N[C@](c3ccc(C)cc3)(C(F)(F)F)C(C#N)=C3C=CC=CN23)cc1	6184334	PBFIRHMXHYTWIG-QHCPKHFHSA-N	420.438	5.706	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c1	6787932	BJENJQYHFFMOEM-UHFFFAOYSA-N	414.549	5.455	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCc3cccs3)c2C)cc1Cl	59534490	JNPRSTXHGZNAQM-VCHYOVAHSA-N	409.942	5.341	50	40	HKGB	
CCCCOc1ccc(N/C=C(/C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1	100179487	CMACIKGGDOVPSX-MNDPQUGUSA-N	419.550	6.364	50	40	HKGB	
CSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	100703079	YYVMJDBIIRQIEX-JOCHJYFZSA-N	402.519	5.898	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)c1	223591003	HVFWHTUUCSQHFW-CMPFEXHJSA-N	407.558	5.268	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)c(C#N)c1C	408527136	FBXDEVPDGBEFCH-GRSHGNNSSA-N	420.310	6.002	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1C	408790678	QTABOXTXRYDPKX-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	408811380	NNJZAAGDXLCFRL-JPOGYNCRSA-N	403.913	5.532	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1C	408817678	WUELHBLXISESQK-NBVRZTHBSA-N	400.865	5.359	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	409141295	UYZIGMNSSKPZPI-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1cccc(F)c1	409389429	AZXKOKHZWRKQMQ-IDUWFGFVSA-N	416.254	6.915	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Oc2ccccc2)cc1OC	2634601	PSPQEWCILWCLPP-XDJHFCHBSA-N	414.461	5.432	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccc(F)cc1)c1cc2ccccc2o1	5020644	ZKXWTCTWJGOITJ-WGOQTCKBSA-N	402.425	5.305	50	40	HKGB	
COc1ccccc1N(C(=O)CCl)[C@@H](C#N)c1ccc(OCc2ccccc2)cc1	5111307	YVQZXEYKJXUEOT-QFIPXVFZSA-N	420.896	5.111	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	59117217	GNXZOGSUWSUMTR-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)CC1	59472824	FTZABAUXVRXYHF-UHFFFAOYSA-N	417.597	5.567	50	40	HKGB	
CCCCCCCCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O	100124694	WVCNLDJYKZNJTJ-IFMALSPDSA-O	419.070	6.399	50	40	HKGB	
CCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528286	LZDFCOOQYRWHHW-RXMQYKEDSA-N	416.065	5.448	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[nH]c2cc1C	408542979	MBGOUEKEXDAYIP-NTEUORMPSA-N	418.840	6.066	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(N2CCCC2)o1)c1cccc(Br)c1	408857280	LQGUQZQKLROXDP-LCYFTJDESA-N	422.120	5.469	50	40	HKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	409048168	QUVLDODIOWDOSX-VGOFMYFVSA-N	423.727	6.227	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1C	409236566	SVSKEPXVUSHUQU-OEAKJJBVSA-N	423.491	5.991	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1	409246296	AMYXHEMANNNKPW-UUYOSTAYSA-N	404.919	5.385	50	40	HKGB	
O=C(COc1ccc(Cl)c2ccccc12)N/N=C/c1ccc(Cl)cc1Cl	3087231	JDRALUMIAKTXPY-AUEPDCJTSA-N	407.684	5.329	50	40	HKGB	
COc1cccc(COc2cccc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)c2)c1	17092387	RDROHFSOXOEWRP-FYJGNVAPSA-N	420.553	5.512	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1	408736925	DBBDCKPVECNMSY-LGJNPRDNSA-N	424.287	5.208	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)c1	408745041	JHFPANNXSBHSIY-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC	408879116	CMCDCYTWFVNEDD-VZUCSPMQSA-N	411.672	5.210	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Cl)c1	409052263	QVXHTHPIRFWZIC-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccccc1C(=O)O	409201389	MPAMZTUALQTWGG-WQRHYEAKSA-N	421.294	5.619	50	40	HKGB	
CC1(C)[C@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)C(=O)[C@H]2Br	2172568	UDOMTLSWGZGSJW-OAUYIBNBSA-N	419.146	5.091	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	3050849	AWVXYXYZUZYQMQ-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1	3280526	PUEFCVKTCFUZQG-SAPNQHFASA-N	406.388	5.626	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(C(=O)O)cc1	6257832	UPXRVRZVTYQAIY-MOSHPQCFSA-N	412.876	6.105	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)c(C)c1	20194989	OFMDOEZFJJPLMR-MZJWZYIUSA-N	424.903	5.368	50	40	HKGB	
CCCSC1=C(C#N)[C@H](c2ccc(C)o2)C(C(=O)Nc2ccccc2OC)=C(C)N1	21630091	WMOMHSGXKNWINE-OAQYLSRUSA-N	423.538	5.075	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)cc1F	90427220	CFFURIBECIZKDR-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2[C@H](C)CC1(C)C	208314771	KOLQNQGCWFGPDO-MCRQTXEHSA-N	403.526	5.353	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1	408580952	SORBMPILODOLPR-XMHGGMMESA-N	409.894	5.480	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2C)c1C	408742875	CJJINKVYZUJGOO-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1	408869971	UHBCKDOWTWHMQQ-CJLVFECKSA-N	400.909	6.039	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1cc(C)cc(C)c1	408870715	WMECWDGTVHQXIS-ZVHZXABRSA-N	410.517	5.757	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408878290	ZQNKRCOXVZQUNH-XDHOZWIPSA-N	424.397	5.981	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409210144	FCFPEZRTTQYGQF-UYRXBGFRSA-N	413.864	6.315	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1Cl	409233827	HWUXDKYECPBHFY-ROTLSHHCSA-N	418.299	5.233	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)NCCc1c[nH]c2ccccc12	1096997	LLDCYMMWTOUOCN-QNGOZBTKSA-N	407.473	5.226	50	40	HKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	2288726	OGORAZUYOFPJAN-PTNGSMBKSA-N	400.334	6.656	50	40	HKGB	
O=C(N/N=C/C(c1ccccc1)c1ccccc1)c1ccc(COc2ccccc2)cc1	5020632	KVPFWRXVAMPMOH-ZTKZIYFRSA-N	420.512	5.813	50	40	HKGB	
N#C/C(C(=O)CSc1ncc(-c2ccc(F)cc2)o1)=C1\Nc2ccccc2S1	10653179	QFCIQBBOMMGOOQ-RGEXLXHISA-N	409.467	5.095	50	40	HKGB	
O=C(O)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	13337822	TWXLDFCOTQCFHW-ZMOGYAJESA-N	424.909	5.094	50	40	HKGB	
O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12	13382274	HLFCFFFFSAGQJM-WGAHVHMHSA-N	422.444	5.239	50	40	HKGB	
CCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C(=O)c2ccccc2)=C(C)N1	27026511	AZHUSRUTECSNAJ-NRFANRHFSA-N	408.954	6.062	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(O)c2ccccc2n1	33936192	QCKUXQBOMLAPAC-KAMYIIQDSA-N	407.351	5.678	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(C)c1	35190872	YTCNWOHZCDHJNP-HMAPJEAMSA-N	414.461	5.945	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2)c1	59266426	NMDIFICRXLCLAO-STZFKDTASA-N	416.908	6.027	50	40	HKGB	
Clc1cccc(-c2nc3cc(C(Br)Br)ccc3o2)c1	216838386	PIRSCVYOVLGQKY-UHFFFAOYSA-N	401.485	5.937	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223594666	CLQFDHDTSSBXCB-TUCSVVMZSA-N	421.585	5.577	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1	408583393	UGWDZXXTNBJOGN-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
N#C/C(=C\c1ccc2c3c(cccc13)CC2)C(=O)Nc1ccccc1Br	408755185	MUCWIIWXHBCIGM-SFQUDFHCSA-N	403.279	5.247	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	408797452	RPIXYCGXAJLPRT-XDHOZWIPSA-N	404.554	6.150	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	408798622	WHHHPVCOINQMMS-QGOAFFKASA-N	404.853	5.170	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1	408809844	SCIOFNRTJHOTEW-HQXXTQMQSA-N	419.528	5.782	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCCc1c[nH]c2ccccc12	408857233	LNAOWWOVQZSXOI-PGMHBOJBSA-N	421.500	5.152	50	40	HKGB	
Clc1ccc2c(c1)[C@@H](Br)[C@@H](Br)c1ccccc1S2	2193122	SHLLLFJUDXTXGP-UONOGXRCSA-N	404.554	6.377	50	40	HKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@H]2C(=O)N/N=C/c2ccc(Cl)cc2)c1	3080539	AJQPWVFNVCTODS-JEWPKMHUSA-N	402.925	5.413	50	40	HKGB	
Cc1sc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)c(C#N)c1C	15231244	ZQOLEDPUKMXRBO-ZDLGFXPLSA-N	418.497	5.329	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c1	59219893	QXVNCBYCOUUJTM-FOWTUZBSSA-N	410.395	6.128	50	40	HKGB	
c1ccc(P(=Nc2nc3ccccc3s2)(c2ccccc2)c2ccccc2)cc1	100182097	LHAJPBRIKSNTSK-UHFFFAOYSA-N	410.482	6.106	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)c(C)c1	408570743	XZEKZWFPEQQERO-GDNBJRDFSA-N	401.397	5.121	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	408774043	NYVOTHRTXNHRLE-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2c1	408779559	YLWJCQMKSCQEFY-UYRXBGFRSA-N	411.505	6.195	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)cc1	408798098	UUKAOEAJWXPNDN-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OCC	408800471	MRHSHZFOLDAKDN-WOJGMQOQSA-N	412.917	5.690	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(Cc2cccc(F)c2)c1	408865905	DRDLUBBEDIZKKV-KGENOOAVSA-N	400.453	5.279	50	40	HKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1ccccc1Cl	408880093	HBRUKSQFKVDBFR-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
CC[C@@H](C)Oc1c(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cccc1OC	409021421	GNVHBLCZIHXBIW-OTTIKCOKSA-N	400.862	5.036	50	40	HKGB	
CCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cc(C)ccc21	409030876	FMOUTKJJVYPVRY-CVKSISIWSA-N	415.562	5.674	50	40	HKGB	
Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccc(Cl)cc1	409389989	DCJQXGNAHGLQNE-ZHZULCJRSA-N	400.884	6.855	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCC(=O)Nc1ccc(F)cc1	409393584	QWZYTBGZPPHNNU-WQRHYEAKSA-N	420.415	5.055	50	40	HKGB	
Cc1cc(C)c(C(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c(C)c1	1593889	NQIDOKJBMUNLID-DLBZAZTESA-N	410.149	5.694	50	40	HKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc(C(C)C)cc3)cc12	2074553	ORYJGXHAPIHAJW-ZVHZXABRSA-N	402.523	5.283	50	40	HKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3coc4ccc(C)cc4c3=O)sc2c1	2754605	OBQINAYNBRMWPS-NUGSKGIGSA-N	410.882	5.042	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)OC)cc(Cl)c1OCc1cccc2ccccc12	4526018	UATPNDPMGQFLDV-ZMOGYAJESA-N	412.873	5.161	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1c(Cl)cccc1Cl	4680737	WDLNPGRNENKEBI-XNTDXEJSSA-N	418.320	6.103	50	40	HKGB	
CC(C)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@H]3C[C@H]3C)o2)cc1	4950286	ZWVDWIJQSRTBGO-UIHSSCNOSA-N	406.482	5.152	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(F)cc1	5718549	SULNOZYFUWAOSN-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)cc1	6620983	HUEFXPNOABIKAK-JWGURIENSA-N	423.564	6.189	50	40	HKGB	
Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1	11853098	FLCAJXLWDBKYFY-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccc([N+](=O)[O-])cc1	58823252	WHYAZBTVZNCATN-HAHDFKILSA-N	406.441	6.391	50	40	HKGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)c1	408585427	DKXCXNKGUHIBEG-BOPFTXTBSA-N	412.272	6.494	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c1C	408773771	XGOFOWJBQLIECN-NDENLUEZSA-N	414.465	5.165	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(Cl)c1OC(C)C	408819260	YVRAOZUOQTYGCG-VCHYOVAHSA-N	412.917	5.688	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)cc([N+](=O)[O-])c1C	408820641	YZTCBAXZWBWPLS-YBEGLDIGSA-N	405.385	5.156	50	40	HKGB	
N#Cc1ccc(COc2ccc(Cl)cc2/C=N\NC(=O)c2cccc(Cl)c2)cc1	409144029	XIAOXIZFVSEVSC-ZMFRSBBQSA-N	424.287	5.208	50	40	HKGB	
N#CC1=C(N)N(c2ccc(F)cc2F)C2=C(CCCC2)C1(C(F)(F)F)C(F)(F)F	2050125	FWBVMTUDRYGOIM-UHFFFAOYSA-N	423.307	5.418	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1)c1cc2c(ccc3ccccc32)o1	8437820	GSBWTUNAPAPIPY-QRQIAZFYSA-N	420.468	5.929	50	40	HKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	33584087	KHCFEGJVKPCGOW-DHDCSXOGSA-N	418.299	5.587	50	40	HKGB	
N#C/C(=C\c1ccc(Oc2ccccc2)cc1Cl)S(=O)(=O)c1ccc(F)cc1	80345430	YNBAWRFDKHBQFI-UDWIEESQSA-N	413.857	5.610	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(C(F)(F)F)c1)[C@H](C)CC(C)(C)N2C	208226704	NSDYCEOIVYIOAQ-QJXMJWHHSA-N	417.475	5.500	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4[N+](=O)[O-])cc3)[nH]c2cc1C	408606778	PRLSELHVZOGBAI-DEDYPNTBSA-N	424.460	5.731	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408776332	YSLYECMWDJOCIX-STZFKDTASA-N	422.494	7.475	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Br	408796849	DZWPPEGRYDWWEM-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)cc(Cl)c1O[C@H](C)CC	408941132	JVKSEARUMMHFAQ-GKBXUSSOSA-N	414.889	5.426	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	408966665	MWZLZPFOXUBULQ-DHRITJCHSA-N	414.336	5.727	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OCC)c1OCCC	409074461	ZPWFLAKIYQRTMN-RCCKNPSSSA-N	404.510	5.457	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	409365326	QNTLDGHQSASHSZ-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
Cc1ccc(C(C)C)cc1CN1C(=O)C(=C(C#N)C#N)c2cc(Br)ccc21	1320716	VQIPXROCTGETCB-UHFFFAOYSA-N	420.310	5.228	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc(-c2ccccc2)nc2ccccc12	33360437	DFPITLPOEYUZKN-WGARJPEWSA-N	420.299	5.973	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)cc1	100860063	DZFHZZBOHZYXNA-WJDWOHSUSA-N	410.340	6.166	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	107762673	GNXVABXCIWOEFI-JWGURIENSA-N	420.553	6.207	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(CC)C(C)(C)C[C@H]2C	260565716	JQWNAHOYPLNFCW-HBEGMLAUSA-N	415.581	6.215	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1C	408759203	ZSMVITFQZUHODX-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)o2)c([N+](=O)[O-])c1	409260644	TYNLLNAITPWWMI-MFKUBSTISA-N	413.433	5.009	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccc(F)c1	409393860	SSUVXQMZIJKUPN-IWIPYMOSSA-N	402.472	7.046	50	40	HKGB	
Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccc([N+](=O)[O-])cc3)c2c1	2293609	ZEOMGTIWMWOIAK-UHFFFAOYSA-N	418.836	5.991	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2cccs2)cs1	4304289	QPWZFOLRUNFHIF-GXDHUFHOSA-N	405.460	6.104	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)c3ccccc32)cc1	4548460	VFUNECDQXKUTGD-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	6142227	NJOZGFBBBFTPJP-OQLLNIDSSA-N	414.317	5.586	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1	13586179	NATNVLPFHAAXMD-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1ccc(C(=O)/N=C2/C(Cl)=C(Cl)C(=O)[C@@](Cl)(C(C)(C)C)[C@@H]2Cl)cc1	26787300	VLLAYAKXNFZRRZ-MUXSOKPTSA-N	421.151	5.479	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1	59297271	YGPOLNFNUPWQIF-GFHXCNCHSA-N	400.453	5.189	50	40	HKGB	
N#CC=C1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1	95080136	UECMLLLBOKRDRS-UHFFFAOYSA-N	407.869	5.311	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](N=C=S)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	118912394	OTQCKYVOOJVJQT-XBUBOJNLSA-N	415.599	5.167	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1O	408589048	YBFUWTPPBBKBSJ-XGICHPGQSA-N	413.098	5.924	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1	408742559	ATRSHJZQBUNTOA-VBKFSLOCSA-N	417.421	5.108	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408798335	HTYGKAJLOBHMHK-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)ccc1OCC(C)C	408800344	ODSCPMLUZQMTOY-WOJGMQOQSA-N	412.917	5.628	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c1	408881472	MLVCHHZETLWJMU-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccc(F)cc1	408997529	MWTQRBDMRYJRJS-SRZZPIQSSA-N	419.275	5.096	50	40	HKGB	
Cc1cccc(NC(=O)Cn2cc(/C=C(/C#N)c3cccc(F)c3)c3ccccc32)c1	409394225	XJNIYSIRINLYMJ-MOSHPQCFSA-N	409.464	5.792	50	40	HKGB	
O=[P@@](Nc1c(Cl)cccc1Cl)(c1ccccc1)c1nc2c(s1)CCCC2	3194317	LHSNENPABAADRR-VWLOTQADSA-N	423.305	5.670	50	40	HKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1cccc(OCc2ccccc2)c1	3350314	AJVYFQLYXBCOAX-JOCHJYFZSA-N	410.498	5.698	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(Cl)c1	59116707	JXTZNCKHQWKFQP-XDHOZWIPSA-N	418.880	5.473	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[C@@H](C)CC1(C)C	223531949	AXMPZOVDHNTXSF-JIHKLPAASA-N	407.945	5.998	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1	408539962	KYXRUSZJJRQUDN-MEFGMAGPSA-N	408.586	6.532	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	408581700	YYEWBUAXKNIEGQ-XDHOZWIPSA-N	424.327	7.035	50	40	HKGB	
CCCCc1ccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	408601912	MCZQZSKGMNVHCE-QFEZKATASA-N	415.320	6.360	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	408775664	QZSJVRVRCCCRKW-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408819583	XVWQQVUSBXUXAM-GXDHUFHOSA-N	419.706	5.437	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1Cl)C(=O)Nc1ccccc1	408873592	SOZAYVIEIBWRMJ-CPNJWEJPSA-N	407.300	6.130	50	40	HKGB	
CCOc1ccc(Br)cc1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409021439	HQKCIFPNGSNQPH-FBHDLOMBSA-N	421.678	5.011	50	40	HKGB	
O=C(N/N=C/c1cccc(O)c1)c1cc(-c2ccccc2Cl)nc2ccccc12	2761442	FEALBVHXVGUPEF-AFUMVMLFSA-N	401.853	5.025	50	40	HKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C(\C)c3ccc(Cl)cc3)cc2)cc1	5785052	QUCHGRTUVCGSHX-YZSQISJMSA-N	422.912	5.472	50	40	HKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	6477645	PKYWTDIHXWUTJB-KRWDZBQOSA-N	413.340	5.030	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	17286305	RFULJVVDDYIPQW-XMHGGMMESA-N	403.507	5.662	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C\c1ccc(Cl)cc1)c1ccccc1Cl	31729590	VZKAMDZJJNLYNF-CFRMEGHHSA-N	412.276	5.010	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)nc2c1	107963734	SSUVHHIHMWMNND-ZROIWOOFSA-N	403.825	5.547	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)cc1OCC	196401211	BTOUOANDNOLPML-LDADJPATSA-N	412.917	5.636	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1	223549752	ZMMWIPBWPJMWTJ-YNGKYYQNSA-N	417.553	5.741	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2[C@@H](C)CC1(C)C	223581194	KJZDGPUGNMNLHE-CWGWECIMSA-N	415.581	6.270	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c(Cl)c1	260562474	AHOOCAPACBVSHY-KWRYHKOTSA-N	418.368	5.788	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1nc2ccc(F)cc2[nH]1	408569212	ZMCXKRAPJLOGBE-ODLFYWEKSA-N	417.447	5.641	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1Cl	408579985	MHVGANFQYWVFBH-RIYZIHGNSA-N	409.110	6.385	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1	408798413	DYPWFBLOFCKKNE-JHQHXTLLSA-N	418.537	5.266	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1Cc1ccccc1	408801612	WIROMYTUFOQFQA-KWDULEIUSA-N	411.549	5.600	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408801799	BTMWEXHRNANRON-MIYOGTPOSA-N	422.532	5.163	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(=O)O)c3)o2)cc1Cl	408984276	IMOXMCQJIOXMQP-MHWRWJLKSA-N	406.825	5.152	50	40	HKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21	409223981	GXYSHPAOYHYMQN-DFSFMLJYSA-N	411.427	6.177	50	40	HKGB	
COc1ccc(N(C(=O)CCl)[C@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	2348746	SZMGHDIKQRWRMX-HSZRJFAPSA-N	420.896	5.111	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3cccc4ccccc34)o2)cc1Cl	3034472	JDQDUTGHRZUYHP-MZJWZYIUSA-N	417.896	5.624	50	40	HKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(\C#N)c1nc2ccccc2s1	4929365	NLOGLXAHUQSXKW-JLHYYAGUSA-N	411.317	6.161	50	40	HKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	13381931	SJSDAHHZYJBBPN-GUIXYSLUSA-N	408.505	5.062	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1C	59432644	UOYLZGRIQCVTSB-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cn(Cc4ccccc4)c4ccccc34)[nH]c2cc1C	408544694	WRPOIKRVIVAEIT-STZFKDTASA-N	402.501	6.247	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc2ccccc2c1	408550675	IVPOUANWARNJCY-USHMODERSA-N	411.504	7.636	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccc2ccccc2c1	408553414	YVPUYJBYSWVJQS-CEUNXORHSA-N	411.504	7.636	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(Cl)cc1Cl	408757969	FCAXLXOSQQUUFW-GHXNOFRVSA-N	418.663	6.669	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cc2cc(C)cc(C)c2)c1	408880252	FSAGHIIUXWHYCZ-MFKUBSTISA-N	424.544	6.065	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3C#N)c2)cc1	408887805	RAXFZHQPNNVWJN-YBFXNURJSA-N	424.416	5.113	50	40	HKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c1	6417711	KQOCTOWGHHLOMW-HMMYKYKNSA-N	403.551	6.582	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1Cl	13775498	AGULTIRVWLQDFN-UKTHLTGXSA-N	420.752	7.055	50	40	HKGB	
C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2CC[C@]1(C)C2(C)C	70686821	LTVYYZVESNBABP-UKDVSSAZSA-N	404.591	6.000	50	40	HKGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](Br)C2=O	100868330	CAZOMVNBOBEWSG-DQYPLSBCSA-N	419.146	5.091	50	40	HKGB	
C[C@@]12CC[C@H]3c4cc(CN(CCCl)CCCl)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	104388260	YOJVFPIMXJSMJL-ZYRMUBPZSA-N	424.412	5.097	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1	138440351	REVRKDNILNAFMZ-COYFKBPASA-N	421.294	5.493	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)n1C(C)(C)C	408553305	NRKMIULMSRPSJH-GZTJUZNOSA-N	406.555	5.218	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1OC	408581462	XAZVDOWRMADKFR-UDWIEESQSA-N	405.881	6.000	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1[N+](=O)[O-]	408745746	OUMKTDIPDMGJJD-GDNBJRDFSA-N	407.813	5.362	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(C)c1OCc1ccc(Cl)cc1	408860171	YOUGWQKCVRIRJD-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1Cl	408988386	QPHSQCFRLXCHJI-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
Cc1nn(-c2ccccc2Cl)c(Cl)c1/C=C(\C#N)c1nc2ccccc2s1	4964320	FRBUYPHWAKEUSP-JLHYYAGUSA-N	411.317	6.161	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4ccc(Cl)cc4C(=O)O)o3)nc2c1	6408004	QBTKXNWEZUWNJA-UKTHLTGXSA-N	403.825	5.547	50	40	HKGB	
Cc1ccccc1C[C@H](C(=O)N/N=C/c1ccc(Br)cc1)c1ccccc1	8861177	AWTKTNTWHGFKBE-LWROZRRASA-N	421.338	5.234	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1	9201659	VLVXUJWINOYDSN-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccc(Cl)cc1	28216419	KEBFTALKUYJSEO-ZZQPOVDQSA-N	411.958	5.378	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c1C	208240381	BMSFSWHHSQEDFC-WSLMLHKMSA-N	421.972	6.225	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)cc1[N+](=O)[O-]	408532293	QFAUJOAXRYGKFX-YBEGLDIGSA-N	409.239	5.990	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)Cc2ccccc2)cc1OCC	408540886	WTKPVFUIQNGRQE-QOMWVZHYSA-N	410.558	5.517	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2)c1C	408742073	MWCZAATVUAYQRQ-PDGQHHTCSA-N	405.885	5.302	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2nc3ccccc3[nH]2)cc1)c1cccc2ccccc12	408758043	FYMKCWIUACPHHP-JVWAILMASA-N	420.472	5.059	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(C)cc2)c1	408795628	CNGDYIZKJAYWPL-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1	408990711	YHDFMLKWIAGWFF-BKUYFWCQSA-N	417.940	6.164	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OCC)c1OC	408991217	PUJAEDJLUBQPRH-LDADJPATSA-N	410.901	5.330	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OC)cc1	409041671	KLYKWTUFSWZIQO-NTEUORMPSA-N	403.265	5.112	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1	409366828	YYBIHHCUBQPQLB-GRSHGNNSSA-N	419.864	5.720	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)o1	2774038	KEIGCYGMZRGZGC-RVDMUPIBSA-N	421.840	5.671	50	40	HKGB	
O=C(/C=C/c1cccc(Br)c1)NNc1c(Cl)cc(Cl)cc1Cl	3364198	KHWJBWPSODTGCO-SNAWJCMRSA-N	420.521	5.566	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)cc(OC)c1OC	4263924	KCURUNOHADYZOR-RQZCQDPDSA-N	406.507	5.517	50	40	HKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	4794804	LAIWOTHRLXTQTD-SDNWHVSQSA-N	400.334	6.656	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)cc1	28216695	XZYXCUWJODOUOM-RASHHNMQSA-N	405.567	5.175	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	207149131	WQNZPTQDNHDIAH-MOSHPQCFSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c2C)cc1Cl	408803508	PVCLTLJNUGUAJE-OOCROQHQSA-N	409.961	5.658	50	40	HKGB	
COc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccc(C)cc1	408811651	AFECNPWUFQTDCS-YSMPRRRNSA-N	414.461	5.093	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)c1C	408814568	RQEOTHWAFPICHN-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1	408817615	VYWIKIQKHFCEMO-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(Br)c2)cc1C	409017956	GPQHCAJVTVOCJJ-ATVHPVEESA-N	420.310	5.402	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(Oc3nc(Cl)ncc3F)c2)c1	409067867	ZXVYAUJLCPECAS-CXUHLZMHSA-N	422.847	5.224	50	40	HKGB	
O=c1c2ccccc2c(-c2ccc(N(CCCl)CCCl)cc2)cn1CCCl	1565014	HGKOJCOWVUNRND-UHFFFAOYSA-N	423.771	5.191	50	40	HKGB	
CCOc1ccc(CCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	5872984	OSAIWMONIMSSDF-ZXVVBBHZSA-N	416.521	5.137	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	108137504	MAOBLNQTYUVCLJ-LTGZKZEYSA-N	424.972	6.933	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)cc1	208437447	NVJZEZZSIHBISY-UYRXBGFRSA-N	401.510	5.263	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl	209384728	RKJBQHQZNGFWGE-LCYFTJDESA-N	417.679	6.452	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1	223549820	ZMMWIPBWPJMWTJ-RXWSAZGZSA-N	417.553	5.741	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc(C)c1	408548039	CGOUCFWDECGVDP-YSMPRRRNSA-N	405.497	6.800	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1	408746045	WTTDZXFJMLAIEL-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2cccc(C)c2)c1C	408759799	LVEDPLASVUGADJ-NHDPSOOVSA-N	405.505	5.411	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1	408775084	YSVQQMGTNITCBD-CHHVJCJISA-N	407.272	5.143	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC(C)C)c1	408802325	ZCMBIFAABYUTKA-RIYZIHGNSA-N	405.281	5.335	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408995101	IZHRBMATRQUCQG-DICXZTSXSA-N	415.924	5.973	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc(Cl)c3)c3ccccc32)c1	408997478	GSVRAHQGPWHXQZ-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(-n3c(C)ccc3C)c2)cc1Cl	409012630	KUWNKKGTKMABAG-CMPFEXHJSA-N	423.944	5.689	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OC)c1OCCC	409074986	WCVVWZHTJBZPFG-KGENOOAVSA-N	404.510	5.375	50	40	HKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccccc2Cl)[C@@H]1c1ccccc1Cl	705971	VSTMMBBVSFNUGV-NKSQBSFPSA-N	409.316	6.323	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Br)cc1F	867554	QMTIPWHRNRNTKP-BJMVGYQFSA-N	414.061	5.441	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1	3290130	SECDTEAYXGHJNX-XSFVSMFZSA-N	415.493	5.044	50	40	HKGB	
Cn1c(/C=C(\C#N)c2nc3ccccc3s2)ccc1-c1cc(Cl)cc(Cl)c1	6862173	MLLATYCAEMDVHL-GXDHUFHOSA-N	410.329	6.673	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20133101	XOSHPUKAOPOMBD-AWEZNQCLSA-N	410.381	5.179	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	39884450	LMGIBGPPJBZQIQ-GHRIWEEISA-N	421.294	5.817	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(O)cc3)c2C)cc1Cl	96476428	FIKSJWINNXQGOQ-WQRHYEAKSA-N	405.885	5.307	50	40	HKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(N(CC)Cc2ccccc2)cc1	97980653	WXPQCPYWLHEYGX-LKUDQCMESA-N	417.597	6.097	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1	408735862	YOWWHEIRAFEZSQ-NTEUORMPSA-N	418.722	5.023	50	40	HKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408880425	IZDGZVOCUGCJIZ-NTUHNPAUSA-N	405.679	5.047	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccccc1F	408938422	QKMWRYAKYWBYPP-WQRHYEAKSA-N	406.844	5.604	50	40	HKGB	
O=C(N/N=C/c1ccccc1Cl)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	1921154	UWAHQUZOMWPXEV-DHRITJCHSA-N	408.288	5.906	50	40	HKGB	
CCCCC/C(=N\NC(=O)COc1ccc(Br)cc1C)c1ccccc1	4657119	OYCAPAHZLIDNTB-FCDQGJHFSA-N	417.347	5.237	50	40	HKGB	
CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N/N=C\c1c2ccccc2cc2ccccc12	6782526	NVAQMBCHVWXZDG-OZKZPHKCSA-N	411.332	6.034	50	40	HKGB	
O=[P@](Nc1cc(Cl)ccc1Cl)(c1ccccc1)c1nc2c(s1)CCCC2	101023681	UZADVCJKCJMGEE-RUZDIDTESA-N	423.305	5.670	50	40	HKGB	
N#CC1=C(SCC(=O)c2ccc(Cl)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1	102595995	YBZOERGIPNAFGS-FQEVSTJZSA-N	424.909	5.818	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(I)c1OC	209488697	NNCYOLXHLSKXNW-CXUHLZMHSA-N	419.262	5.071	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2[C@@H](C)CC1(C)C	223581067	PUGTVLBDZFAKEX-CWGWECIMSA-N	415.581	6.270	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl	408790696	XSSXZSKVRFRMIR-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408818432	VKQCLNQUMQRQDQ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)cc(C)c1OCc1ccc(Cl)cc1Cl	408858869	RCOQIXCSIKMGAP-CIAFOILYSA-N	408.328	7.253	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)n1	408978597	NAYBFFMVHJGOKD-PCLIKHOPSA-N	420.516	5.822	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(Cl)cc1	409193246	ICGRWBXPKBKIIQ-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1O[C@@H](C)CC	409194059	MXQRBXQJGRSEBZ-ZXCVBSDHSA-N	409.313	5.333	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)n1	409388331	UAQQRFYFYRCEMV-RQZCQDPDSA-N	413.308	5.462	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1Cl	3034264	BYQQSEDPWCCHTO-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
N#C/C(C(=O)Nc1ccccc1)=C(/Nc1ccccc1)SCc1ccc(Cl)cc1	3058771	NUXMJANBSBFQRV-XTQSDGFTSA-N	419.937	6.059	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3)cs2)c([N+](=O)[O-])c1	4812685	HYUOKQVQYIHWJI-JLHYYAGUSA-N	412.858	5.357	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1sc2ccccc2c1Cl	5704932	VCDOXNPUZZWTFA-VULFUBBASA-N	414.917	6.625	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	39884504	VCRDRFSIAYCELU-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccc(Cl)cc3)[nH]c2cc1C	107655047	USKYQTJVKWUOBB-DEDYPNTBSA-N	413.908	6.476	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3Cl)cc21	208249794	QAWAWFUMUSFLCA-ZGUVFNMESA-N	404.341	5.479	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1	408580777	RRFQIVKOKQFYKO-RGVLZGJSSA-N	424.327	6.954	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1Cl	408806275	AYHFWGWPFMNJFO-LDADJPATSA-N	404.897	6.135	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	408960630	NICCVPBCAZIIPL-JLPGSUDCSA-N	411.549	6.073	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	10315730	ZWKACXUIUFLFHY-CVKSISIWSA-N	423.944	5.147	50	40	HKGB	
N#C/C(=C(/S)Nc1cc(C(F)(F)F)ccc1Cl)c1nc2ccccc2s1	12574399	AFYCHPKEQOALHS-GDNBJRDFSA-N	411.861	6.203	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1F	100843682	XZSVUNMZRGEENB-FMIVXFBMSA-N	404.297	6.541	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(C)cc1	209487636	DVJPTSFTJVKTHM-YDZHTSKRSA-N	417.936	6.999	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1F)c1ccccc1	409232994	CSILEYRWVRXACP-CEZZIEKDSA-N	400.453	5.189	50	40	HKGB	
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1	948706	XBGZXWQOWKBSAX-FOWTUZBSSA-N	405.841	5.104	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1)c1ccccc1Cl	1752935	VZKAMDZJJNLYNF-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
Cc1cccc2c(C(=O)Oc3ccc([N+](=O)[O-])cc3)cc(-c3ccc(Cl)cc3)nc12	2351786	NQZJRDWBPNISCF-UHFFFAOYSA-N	418.836	5.991	50	40	HKGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2)cc1	3088559	NEPDRKBJNCGQHD-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1Cl	6545769	VEOFNDODOFCVQJ-MFOYZWKCSA-N	412.276	6.373	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccnc1	10039086	RTWQWEZPHTUXEL-JFLMPSFJSA-N	415.880	5.231	50	40	HKGB	
Cc1ccc(C(=O)/N=C2/C(Cl)=C(Cl)C(=O)[C@](Cl)(C(C)(C)C)[C@H]2Cl)cc1	26787296	VLLAYAKXNFZRRZ-KAZYBQFTSA-N	421.151	5.479	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(C(=O)O)cc1	33671792	BVBJZBAZVQGBTL-ODLFYWEKSA-N	424.283	6.335	50	40	HKGB	
CC(C)(C)NC1=NP(c2ccccc2)(c2ccccc2)=NC(c2ccccc2)=C1C#N	97983134	HAAXXPRHMSRONS-UHFFFAOYSA-N	424.488	5.489	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1	208453410	GHFHZHGVJRLHRN-UNOMPAQXSA-N	401.510	5.181	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@@H](c2ccccc2)S1	226644026	TWLQYWPBHJODKX-BERVCZSCSA-N	407.495	5.012	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1OCC(=O)O	408550912	KPZHJVXLEAXPOM-OCKHKDLRSA-N	407.853	5.419	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(Cl)cc2)C3)cc1	408729111	XNAGHPJGEMHHIK-WGARJPEWSA-N	419.912	5.023	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(C)=O)c3)o2)cc1	408745386	RGBWKHOAHBFPTR-RGEXLXHISA-N	400.434	5.094	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1C	408784370	QQOMMECPJLNERB-NDENLUEZSA-N	414.465	5.165	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)c1C	408935982	JJJVNTXPYQDLIQ-MTJSOVHGSA-N	400.453	5.567	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1O[C@H](C)CC	409389026	AEDKDZZRXGYDAD-KDVQLTRESA-N	418.306	6.228	50	40	HKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccc(C)o3)c3ccccc3n2)cc1	1003398	KWFAOVSQUTWSRQ-WPWMEQJKSA-N	413.477	5.356	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1	3885203	JPYQTIYPHKOIPB-SKXMAYPPSA-N	400.856	5.327	50	40	HKGB	
O=C1C=C/C(=N\c2cc3c(cc2Br)-c2ccccc2[C@@H]3Br)O1	17163658	WTVONIADQHDGGU-AWZALFRUSA-N	419.072	5.057	50	40	HKGB	
CC1=C(C#N)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)C2=C(CCCC2=O)N1	19901806	ZGPWXBADQAXCSZ-HSZRJFAPSA-N	404.897	5.410	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c1	28216688	KNWDJTFILWGMSE-PXMCARDJSA-N	405.567	5.175	50	40	HKGB	
N#C/C(C(=O)CSc1nc2ccccc2n1C(F)F)=C1\Nc2ccccc2S1	104516565	YMSOHYABSOPUNI-BOPFTXTBSA-N	414.462	5.046	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc21	208472358	LOUQGUNROONNKY-SXGWCWSVSA-N	409.892	5.656	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4cccc(OC)c4o3)cc2C(C)=CC1(C)C	208504257	MTTOHWDJEVJDGD-CVKSISIWSA-N	417.509	5.227	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	408589016	XWTJHNVLAXNUJH-ZSOIEALJSA-N	409.110	6.385	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2Cl)c1C	408984366	QDONCWSMVFPQOG-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl	409023917	MYOLXUHMCVDGLF-RMJYUUNHSA-N	405.281	5.681	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	1906082	WRJRQVKPFDIPBW-FMIVXFBMSA-N	417.277	6.002	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)C(c1ccccc1)c1ccccc1	5515763	CKTXYZJSJZVVCZ-TWKHWXDSSA-N	414.508	6.275	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc(Cl)c1	28287349	GWLJFCPRBQXTEQ-XYOKQWHBSA-N	417.679	6.452	50	40	HKGB	
COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3ccc4ccccc4n3)cc2)cc1	40138996	VHRROPKOVYROTK-XQNSMLJCSA-N	420.468	5.665	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2C(C)=CC1(C)C	208524514	YMEAVMKURKOJPK-XKZIYDEJSA-N	413.565	6.179	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)c(C)c1	408790971	ZTXARJISFWZVSZ-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)o1	408798547	VUEMUKNBZGJODZ-MHWRWJLKSA-N	406.825	5.152	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccccc1O	409044402	BXFLSGKBUNSWCN-WYMPLXKRSA-N	415.276	5.042	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409227865	SENCCZDCTYNGKO-KWZJRMENSA-N	418.415	5.437	50	40	HKGB	
N#C/C(=C/c1cc(Br)cc(Br)c1O)c1ccc(Cl)cc1	409356273	MACKOGOPRNAXFX-WZUFQYTHSA-N	413.496	5.635	50	40	HKGB	
O=C(NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1)Nc1ccccc1	3205873	XHYXIDVRYSUSAB-UHFFFAOYSA-N	417.405	5.618	50	40	HKGB	
Cc1cc(C)cc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)c1	4604006	JOGSQSPWRXVPTC-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
CCC/C(=N\NC(=O)CCC(=O)N(c1ccccc1)c1ccccc1)c1ccccc1	4698920	VUPCYJQOQVEINV-SOYKGTTHSA-N	413.521	5.452	50	40	HKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4)CC(=O)N3C2)cc1	4923544	HPVSEZSEYDZRSX-NRFANRHFSA-N	403.551	5.249	50	40	HKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccccc3F)c2C)ccc1Br	6044131	VSOYHDXBEPKIDM-PDGQHHTCSA-N	409.302	6.368	50	40	HKGB	
ClCCc1c(-c2ccccc2)nc2sc3c(c2c1-c1ccccc1)CCCC3	12546943	VLLFYGGEHSYMHS-UHFFFAOYSA-N	403.978	7.290	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1	20197728	RVYFLCVPMMONIG-CVKSISIWSA-N	423.944	5.609	50	40	HKGB	
O=C(N/N=C1/CCCCc2ccccc21)c1ccccc1OCc1ccc(F)cc1	33699719	YIDZFPGEWSFHLY-VYIQYICTSA-N	402.469	5.265	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1cccc2ccccc12	59426446	BHJFWRUDUDISSY-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
O=C(Cl)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1	226339835	ZXIAZIOSBQWWGM-UHFFFAOYSA-N	412.469	5.853	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c1	260567585	LZMSRVXYZHWSNS-KLSKMWHSSA-N	421.972	6.225	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	408734138	DKTNUFJXMTXHLT-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1cccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c1	408853430	SGOWSFPLNQUYGL-IMRQLAEWSA-N	409.489	5.225	50	40	HKGB	
COc1ccc(C(=O)[C@H](Cl)[C@@H](Cl)c2cc(Cl)c(OC)c(Cl)c2)cc1	1685471	NTLSRRWXWHTNQB-LSDHHAIUSA-N	408.108	5.781	50	40	HKGB	
CC(=NNC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C	4083902	VQKFSRAIZXMPGG-SNQMUUBNSA-N	419.613	6.012	50	40	HKGB	biogenic
O=C(N/N=C(\c1ccc(O)cc1)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	4548871	WUWHPEDXIGGJBK-ROMGYVFFSA-N	408.929	5.131	50	40	HKGB	
CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	4808981	MSJOAWCADYGGRG-RVDMUPIBSA-N	414.361	7.217	50	40	HKGB	
C/C(=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(Cl)c(Cl)c1	13765269	ZUZTWYSMQUJTQY-GBAJOOFISA-N	423.343	5.840	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)cc(Br)c1O	43079009	CLWBHRIYZIDYOK-GHXNOFRVSA-N	401.285	5.227	50	40	HKGB	
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C(\CCC)c2ccccc2)cc1	98001335	MOJAQKKXXNKWKJ-SLEBQGDGSA-N	407.558	5.920	50	40	HKGB	biogenic
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(F)cc2)cc1	100215953	XJILWAANHUXHHN-NHDPSOOVSA-N	422.463	5.413	50	40	HKGB	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408793397	FDARZMLULBWQRF-LDADJPATSA-N	404.853	5.170	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408801798	BTMWEXHRNANRON-MCNOSKBUSA-N	422.532	5.163	50	40	HKGB	
CC(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc(C(C)C)c1O	408848403	YQUIITCUAFGOMG-XDHOZWIPSA-N	404.554	6.482	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)c1	408933810	BMAZAFGFWXBBGN-BKUYFWCQSA-N	400.453	5.567	50	40	HKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3083628	KQECLHBGNYMCKA-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
CCCCCOc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3)cc2)cc1	3084874	RLNJWTYPZVMHEB-ZXVVBBHZSA-N	416.521	5.599	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Br)c(C)n1C1CCCCC1	12363772	QHWNGMMUPAASSH-LPYMAVHISA-N	402.336	5.137	50	40	HKGB	
O=C(O)c1sc(C(=O)N/N=C/c2ccco2)c(-c2ccccc2)c1-c1ccccc1	16491821	PGDHTOUOCAAADX-ZVHZXABRSA-N	416.458	5.137	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)S(=O)(=O)c1ccccc1	32227876	WGZPXRDSXWCHJC-PDGQHHTCSA-N	414.280	5.047	50	40	HKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	59921906	QPXQMVYCGZPLDB-OGLMXYFKSA-N	424.500	5.256	50	40	HKGB	
C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2C[C@@H]1[C@H](C)C2(C)C	101265340	PBYXGDYSESXBPF-TXNPELCJSA-N	404.591	5.856	50	40	HKGB	
N#CSCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Br	226328686	SXEJZCUWFVAALG-UHFFFAOYSA-N	422.691	5.063	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1	408580655	QHHAFIDUDSLULO-UDWIEESQSA-N	424.327	7.035	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1OC	408581041	SYAALRPVQPESJC-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1C	408794466	ILOWWDFCCNOMAF-FOWTUZBSSA-N	408.910	6.247	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1C	408801062	SKUZTYHSPIBHQO-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2C)c2ccccc12	408801078	SMLVHIYMDRVZIT-XDJHFCHBSA-N	418.924	6.526	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C)c(Cl)c2)cc1	409014987	RCGQRSYCARPGCH-LGMDPLHJSA-N	405.885	5.384	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)C(=O)NC1CCCC1	409188993	MEMMFXHJKXPWSK-YVLHZVERSA-N	415.320	5.538	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)cc1	409245246	PQSNOKSFYPSCLQ-UYRXBGFRSA-N	418.949	6.654	50	40	HKGB	
CC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1	1082076	VPAXLOXNUMKTBK-KSFYIVLOSA-N	419.868	5.133	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1ccccc1F	33669048	XOUXUMQINNRVMN-HKWRFOASSA-N	413.879	7.275	50	40	HKGB	
Cc1cccc(C)c1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	44827276	DVDUGLZLJJHJGH-XNTDXEJSSA-N	400.334	6.710	50	40	HKGB	
CC[C@@H](C)n1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	96868658	OERXCZFHAHQYTA-WRDGEJPTSA-N	410.521	5.359	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1[C@@H]1C[C@H]2C=C[C@H]1C2	103119656	HSYSEAFNRKHXOD-CNWYBHPASA-N	412.537	5.506	50	40	HKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](OC(=O)N(CCCl)N=O)CC[C@]34C)[C@@H]1CCC2=O	118929205	FULFKXIGCUQZJE-DMNIQJBYSA-N	424.969	5.326	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)c1	208231145	ALEIENIGROUISK-VFAFIFLJSA-N	401.554	5.880	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1	209403815	OUNYIRWWNIPKQB-UDWIEESQSA-N	422.297	6.540	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2[C@H](C)CC1(C)C	260562588	APTSRJMQQBWMTF-SYERDGIWSA-N	423.398	7.014	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408807245	GOYCXMXROMWUAP-XDHOZWIPSA-N	419.912	5.610	50	40	HKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)c(C)c1	408814207	QOYASGKNTDWJGW-VEILYXNESA-N	423.516	5.534	50	40	HKGB	
C/C(CC(C)(C)c1ccccc1)=N\NC(=O)CSCc1c(Cl)cccc1Cl	409139447	NPJVRFYEJMXJAV-BUVRLJJBSA-N	423.409	6.087	50	40	HKGB	
COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1	870399	XLVOXOANUZTNIZ-OAQYLSRUSA-N	413.864	5.268	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(N)=O)n2)cc1	2317878	WNRIVAIDIYRLBR-QGOAFFKASA-N	402.523	5.084	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	4512288	XAYOADYBNNIOJJ-KQWNVCNZSA-N	406.441	6.391	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)cc2Cl)NC(=O)C[C@H]1c1ccc(F)cc1	6495433	ZXMPATHRNRFCHE-HNNXBMFYSA-N	407.297	5.405	50	40	HKGB	
Cc1ccc(CSC2=C(C#N)[C@H](c3cccs3)C3=C(O)CC(C)(C)CC3=N2)cc1	102863462	OOYKGAIRTMXBAB-OAQYLSRUSA-N	420.603	6.895	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccc(Cl)cc1	408784783	XJDCKICSRBLPFE-QBFSEMIESA-N	420.881	5.506	50	40	HKGB	
COc1cccc(/C=N\NC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)c1C	408971641	KRRPXFGEIOXTDK-AFPJDJCSSA-N	423.321	5.298	50	40	HKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3050780	DLHCWBBSWLRSMK-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1N1CCCC1	4663030	WQHRRZRNEBMFQK-LFIBNONCSA-N	400.309	5.448	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1cccc2ccccc12	408567492	NXVCKPDHSHDPIP-MOSHPQCFSA-N	406.464	6.327	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)Cc3cccc4ccccc34)c2)cc1	408568291	SMBCSCABTAMFCS-MTDXEUNCSA-N	408.501	5.420	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)c(OC)c2)cc1	408876982	SEXJLOOLRDGOCT-MFKUBSTISA-N	424.544	6.011	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1-n1cccc1)c1ccc2c(c1)Nc1ccccc1S2	12564417	KFFIPNYZJDPCAS-WPWMEQJKSA-N	424.529	5.840	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl	14131058	TYXGOSLZBHEEIS-JAIQZWGSSA-N	424.327	6.954	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c3ccccc3cc3ccccc23)c([N+](=O)[O-])c1	27832433	VUZXMAPCNAZEKY-QGOAFFKASA-N	423.428	5.455	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	40006609	VJICUJPCTNYXSW-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)ccc1Br	58832613	ALHFKUMWIVDZNK-FOWTUZBSSA-N	407.267	5.563	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208245250	RKOCXDUZIHCONW-SQAVSUBZSA-N	413.949	5.143	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2[C@@H](C)CC1(C)C	223576955	GGJDRPPTGLDICQ-CVHFWEDTSA-N	415.581	6.270	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1Cl)[C@H](C)CC(C)(C)N2C(C)C	223589340	OODIGFMLRPEBHU-OXVLKEGXSA-N	411.977	5.913	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CC2(C)SCCS2)c(C)n1-c1cccc2ccccc12	408588716	JKGDMVOJBVSZKF-BUVRLJJBSA-N	423.607	5.284	50	40	HKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccccc2Cl)cc(C(C)(C)C)c1O	408764039	RGUOWVVZJCHTEW-CVKSISIWSA-N	414.977	5.724	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)NCCc1ccccc1	408810419	KKARQTLCOXTQFY-CJLVFECKSA-N	416.908	5.185	50	40	HKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408858824	PYMZYAIFIRWDKF-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OC	408882751	SDAXTPLRDXBUAD-RIYZIHGNSA-N	405.281	5.255	50	40	HKGB	
Cc1cc(SCC(=O)N/N=C/c2ccc(Cl)c(Cl)c2)nc2ccccc12	5006873	KXPBNKHLAJEASC-LSHDLFTRSA-N	404.322	5.092	50	40	HKGB	
N#CC(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)/C(O)=N/c1nc2ccccc2s1	41120769	NLSYTRBJKHHPGA-RVDMUPIBSA-N	415.430	5.450	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1	59335464	RJEUOCGZYRRSJY-ULJHMMPZSA-N	411.549	6.291	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	59473311	VKMAWUJWZPRBPA-JJIBRWJFSA-N	419.506	5.182	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc2[C@H](C)CC1(C)C	208311821	ZPFKPFHNPCZYKN-VXIUPONVSA-N	409.371	6.625	50	40	HKGB	
Cc1c(/C=C(\C#N)c2cccc(Cl)c2)c2ccccc2n1Cc1ccccc1Cl	408598702	IVEPNXXURHQPEO-XSFVSMFZSA-N	417.339	7.369	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)o1	408796845	POIHDFSCRZSOAS-LFIBNONCSA-N	417.421	5.026	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408869548	PWNSJSAPEBCOBC-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	409076080	XNDMMKGDUWCXIO-XMHGGMMESA-N	406.457	5.063	50	40	HKGB	
ClCCN(CCCl)CCN1c2ccccc2Oc2ccc3ccccc3c21	1688190	KWRVSIDVZILVEO-UHFFFAOYSA-N	401.337	5.863	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(F)cc2)cc1	8812463	ABRVTSZKNWQIDC-LQKURTRISA-N	412.464	5.630	50	40	HKGB	
O=C(NNc1nc2c(F)cccc2s1)c1cc(-c2cccs2)nc2ccccc12	9381763	DVSMXIYYXVLVIG-UHFFFAOYSA-N	420.494	5.469	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)c(C)c1	59145696	PRENNYQNPLGLFR-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Cl)c(Cl)c1	408588318	VOBCVIQWBDTMJM-ZROIWOOFSA-N	408.206	7.336	50	40	HKGB	
Cc1ccc(Cn2c(/C(C#N)=C/c3ccc(Cl)cc3Cl)nc3ccccc32)cc1	408729896	KQRWSIIMNLLZII-XDHOZWIPSA-N	418.327	6.764	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408746595	SXGIGZSIUHONIN-UVTDQMKNSA-N	417.690	5.213	50	40	HKGB	
C=CCOc1cccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c1	408829736	QDYRXUYAQUMWED-WGOQTCKBSA-N	414.530	5.205	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)NC1CCCCC1	408928288	ZFOQXVTZPGDJTP-LDADJPATSA-N	412.892	5.414	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)c1C	409047193	NPRCJQMADORYCY-CAOOACKPSA-N	417.336	6.191	50	40	HKGB	
CC(C)C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2n1C	504714411	VFBTYIVQBDXABB-FUHWJXTLSA-N	405.633	5.491	50	40	HKGB	biogenic
CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3Cl)CC[C@@]1(C)C(=O)[C@H]2Br	2703441	VOVBTBDAIMOLGY-OAUYIBNBSA-N	419.146	5.091	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2cccc3ccccc23)cc1OC	6168204	FRWBCNLTCUBHKH-PVLQNKMRSA-N	410.901	5.443	50	40	HKGB	
CCCCCCc1cc(C(=O)N/N=C\c2cccc([N+](=O)[O-])c2)c2ccccc2n1	31772967	NGLNHCFJJHDJKK-JLPGSUDCSA-N	404.470	5.030	50	40	HKGB	
N#CC1=C(N)N(c2ccc(Cl)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc2[nH]ccc2c1	31820461	RANGRROUGAQCBV-QFIPXVFZSA-N	414.896	5.126	50	40	HKGB	
O=C(c1ccccc1)[C@H](Br)CC[C@@H](Br)C(=O)c1ccccc1	95696937	CYMCSOQEVOCQBZ-HZPDHXFCSA-N	424.132	5.059	50	40	HKGB	
O=C(/C=C(\c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	104135513	GPACTMPLAYQYJG-SZXQPVLSSA-N	408.437	5.925	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2)cc1OC	408539796	JTXLGGIAFAFERF-UQQQWYQISA-N	416.949	5.852	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1Br	408740263	FFCUPENNCPHWMQ-GDNBJRDFSA-N	419.116	5.841	50	40	HKGB	
CCCCCCOc1ccc(/C=N/NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1	1782568	JUWNTTOJWCVYSI-LEBHPONQSA-N	416.949	5.525	50	40	HKGB	
CCCCCCOc1ccc(/C(C#N)=C/c2ccc(OCCCCCC#N)cc2)cc1	5418204	UNLQQEANIVZPRB-NJNXFGOHSA-N	416.565	7.173	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)cc1	7384752	LZPPJWVTHKWYRT-OVVQPSECSA-N	414.553	5.021	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1	408792082	HNNRHTJDOVPVNI-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409359426	NZZMGXGMRJDWTA-MLPAPPSSSA-N	422.076	5.492	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N/c2nc(-c3ccccc3)cs2)cc1	1631237	CQWSLNNFMLSFFG-OEAKJJBVSA-N	404.366	5.845	50	40	HKGB	
CCCCC/C(=N\NC(=O)c1ccc(OC)c(Br)c1)c1ccccc1	4525796	DEWJTQUMCOKZHE-RELWKKBWSA-N	403.320	5.172	50	40	HKGB	
N#CS[C@H](C(=O)c1cccc2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1	5338470	AFMVJKSMTPBTCH-AHWVRZQESA-N	408.526	6.459	50	40	HKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	6410870	SDOJCMNFAKTIOO-LFIBNONCSA-N	407.267	5.157	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(/C#N)c1nc(-c2ccc(CC)cc2)cs1	90427167	VKFVTPGNMQRHJL-JXAWBTAJSA-N	403.507	5.526	50	40	HKGB	
CCOC(=O)CSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1	100703017	ROHGSAXFJZZGKI-NRFANRHFSA-N	410.539	5.376	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc2ccccc12	107705501	HYWMBVRXCGWRDJ-JCMHNJIXSA-N	409.460	6.631	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408787788	GGMDELNIIJYMIH-UKTHLTGXSA-N	405.679	5.047	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccc(C)cc2)c1	408866657	HOXVQCSFEIDJHJ-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408886737	LTCPRBNYUBWXCV-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1	408965057	GBDUYTGNNDWPJD-VULFUBBASA-N	402.885	5.060	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	409146937	UMSBAQINSSXUMK-YYHBXHNPSA-N	419.594	5.650	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1[nH]c2ccc(Cl)cc2c1-c1ccccc1	4754833	YKLCEMQDLDGTBM-MZJWZYIUSA-N	412.880	5.734	50	40	HKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c1C	7738441	FMSIBHNTHDERPK-XSFVSMFZSA-N	415.541	5.137	50	40	HKGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)C(=O)Nc1cccc(C(=O)O)c1	33647218	CFMBLDYQOISGNX-QGOAFFKASA-N	400.459	5.082	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1cc2ccccc2o1	59417744	IQAHBGQOZQORAX-WSDLNYQXSA-N	409.239	5.219	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2[C@H](C)CC1(C)C	208314053	XJPSIHFGTQBPKR-LZAZYHHXSA-N	401.554	5.961	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)o1	408960269	KLXMAFZGPOWERA-AUEPDCJTSA-N	417.248	5.024	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2Cl)c(C)n1-c1ccc2ncccc2c1	408964648	DZPWIZYASHYQJL-WGARJPEWSA-N	417.900	5.451	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)NCCCc3ccccc3)o2)cc1	409235427	PSYYWGAKGWHLPZ-SILNSSARSA-N	402.519	5.395	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2cccc(F)c2)c1OCc1cccc(C(=O)O)c1	409393615	RJCKFKZMEUDRPQ-NDENLUEZSA-N	403.409	5.176	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(F)F	15978657	YINLKNSSRQHVRB-IZZDOVSWSA-N	413.207	5.149	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)[C@H](C)Sc2ccc(Cl)cc2)cc1OCC	59473775	WOAWGLIDQBMMPK-FVQJWRHTSA-N	420.962	5.158	50	40	HKGB	
CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OP(F)(c1ccccc1)(c1ccccc1)N2	104196725	PWADOCWFYDFHBB-UHFFFAOYSA-N	423.512	7.005	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(OCCOc4ccccc4)c3)[nH]c2cc1C	408543823	RDDPLROFIVICLG-RCCKNPSSSA-N	409.489	5.702	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)c1	408758911	UPVFQWBOIMFPQL-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408791772	CEZHRFNKHRMWAF-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Cl	408796330	ORPKJUYBFKVWPN-CXUHLZMHSA-N	401.293	5.721	50	40	HKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	408931949	SJIFSWDAJNSFCS-XYGWBWBKSA-N	404.514	5.211	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1OC	1306977	YZAKAAZOJXGLHO-XMHGGMMESA-N	419.550	6.002	50	40	HKGB	
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CCCl	2679644	VRMAVAKGZBYWJL-UHFFFAOYSA-N	413.926	5.826	50	40	HKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1OCc1ccccc1	3664039	PPCOXBVUDYHAAH-TURZUDJPSA-N	422.484	5.822	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1	8780786	MBJCJFLMZHJLGI-WYMPLXKRSA-N	424.759	5.009	50	40	HKGB	
CC(C)/N=C1\CCC[C@@H]1C(=S)SSC(=S)[C@@H]1CCC/C1=N\C(C)C	18255927	SNLSXBAIXLUAAE-LXEFCFLVSA-N	400.704	6.322	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc(Cl)cc1Cl	34890943	JEICYLDWWJWUFR-CLTKARDFSA-N	421.903	6.176	50	40	HKGB	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1-c1cccnc1	44028509	UHXOUDKEDXZCHH-NDENLUEZSA-N	410.502	5.153	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1	59266293	MVQKDPYDSKFMAV-RCCKNPSSSA-N	423.491	5.937	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)Nc1ccccc1	59535645	HFQPTZFZKMJKFG-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	64219038	OTVRYZXVVMZHHW-PAMFVNDTSA-N	405.110	8.635	50	40	HKGB	biogenic
C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@@H]2CC[C@]1(C)C2(C)C	102958379	LTVYYZVESNBABP-OWAUWMPXSA-N	404.591	6.000	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1cccnc1	408782856	KIRVCPULVRMDOP-SXGWCWSVSA-N	411.292	5.342	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c(C)c1	408961210	LHQUDQAKSFHXAF-PDGQHHTCSA-N	400.434	5.116	50	40	HKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccc(OCc2ccccc2)cc1	3082061	IDKCQFQLYFKVJH-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NCc1ccco1	4674672	CQTKQOILLYFQMU-LDADJPATSA-N	415.880	5.159	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	5567510	NKDJQIVNWHUPOX-FOKLQQMPSA-N	407.684	5.600	50	40	HKGB	
CSCC[C@H](NC(=O)CCCC[C@H]1CCSS1)c1nc2ccccc2[nH]1	32350212	IZNBRUYYUCRAQV-YOEHRIQHSA-N	409.646	5.187	50	40	HKGB	biogenic
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(OC)c2)cc1OC	408580252	BMCSQBWXBARUPX-UDWIEESQSA-N	419.452	5.495	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl	408599560	WKBPXUPMOIRUGZ-MFOYZWKCSA-N	401.724	7.119	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1cccc(F)c1	408866221	GPIGLYZEALCIAW-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409186208	YUXQVOGOVSRFIY-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
Cc1ccc(C(=O)NNC(=O)c2ccccc2SCc2ccc(Cl)cc2)cc1	1400934	VDKDHZJCSRRVNS-UHFFFAOYSA-N	410.926	5.016	50	40	HKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccc(F)cc1	3241961	QBZAMCHLUZDZHI-TURZUDJPSA-N	409.464	6.059	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc(C)c1Cl	5539948	ARLVCKZBZARXLW-VULFUBBASA-N	422.912	5.065	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)o1	26770298	OMYSUHMQODKPJT-JLHYYAGUSA-N	407.476	5.683	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	59335227	LTGHKFDMQUSWSS-ZSOIEALJSA-N	419.706	5.355	50	40	HKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccco2)C2=C(O)CCCC2=N1	102590485	GQJCWMRDWIKUKF-NRFANRHFSA-N	419.506	5.229	50	40	HKGB	
CCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528232	WCVXDWOJOAQOAG-LLVKDONJSA-N	400.213	6.518	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c2C)c(C#N)c1C	408598929	LICVOIBUBGKGNF-VCHYOVAHSA-N	413.506	5.709	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1cccc2ccccc12	408846835	LDVWQFOXWUKSNT-YUMHPJSZSA-N	407.473	5.757	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1	409236462	GRGFJXKMXREUKE-SUCHYCSPSA-N	414.490	5.091	50	40	HKGB	
CCCCN1CCCc2cc(/C=C/C3=C(C)C(=C(C#N)C#N)c4ccccc43)ccc21	685944211	BBIBIMXFFZGWQX-ACCUITESSA-N	405.545	6.541	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(Cl)c1OC	659690	OTDISDKCZFQXDX-WYMPLXKRSA-N	408.841	5.021	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(C(C)(C)C)cc1	4550667	IDKVGMDMCVKHOK-XQNSMLJCSA-N	411.549	5.615	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N/N=C/c2c(O)ccc3ccccc23)c1	6256292	KKVJIIXKXWTMRM-VULFUBBASA-N	417.896	5.370	50	40	HKGB	
COc1ccc(C2=C/C(=C(\C#N)C(=O)NCc3ccccc3)c3cc(C)ccc3O2)cc1	33497165	JTHGWFIYBFKJPI-GYHWCHFESA-N	422.484	5.031	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1C	408762985	CYRMHMYDULJMAF-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1C	408808764	FYRLYNLZPUMQIX-ODLFYWEKSA-N	421.903	6.049	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)c1	408890332	RNEHCBJYKAVKIT-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
O=C(c1cc(Cl)ccc1O)[C@@H](Br)[C@@H](Br)c1ccccc1	1682536	XFSWZAIWCDGXRX-KBPBESRZSA-N	418.512	5.128	50	40	HKGB	
Cc1ccc([C@H](NC(=O)Nc2ccc(SC(F)F)cc2)C(Cl)Cl)cc1	3202330	TXFGIWIXDFBRHQ-AWEZNQCLSA-N	405.297	5.976	50	40	HKGB	
CC(C)c1ccc([C@@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1	4923361	VFJCRHYGGJXIJV-FQEVSTJZSA-N	407.514	5.169	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3C)c2C)cc1C	28215829	HFIGHPKVQIGWOM-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccccc4C(F)(F)F)o3)[nH]c2cc1C	33636075	WIQXABXMAOPHOD-RVDMUPIBSA-N	407.395	6.523	50	40	HKGB	
COc1cc(/C=N\NC(=O)c2ccccc2)ccc1OCc1cccc2ccccc12	34701882	ONYSTRQIRHSBSO-PKAZHMFMSA-N	410.473	5.191	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1cccc2ccccc12	408540216	ORFNOABOMWRWPR-IMRQLAEWSA-N	422.956	6.145	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408549292	SCVYXGJSEKEKJP-LPYMAVHISA-N	417.339	7.618	50	40	HKGB	
CCOc1ccccc1/C=N\NC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1	408846882	LJSNXPIVQVFRMC-USHMODERSA-N	423.516	5.615	50	40	HKGB	
O=C(CSCc1c(Cl)cccc1Cl)N/N=C/c1cccc(C(F)(F)F)c1	409141576	VPVFYMHTSPFNIN-LIMNOBDPSA-N	421.271	5.396	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	409146934	UMSBAQINSSXUMK-YNYZQSIGSA-N	419.594	5.650	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)cc2)c1	409231458	JECNDAWIKVRLQQ-RGEXLXHISA-N	400.503	5.701	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1	1189537	QUKYTVLGXMROHV-HAHDFKILSA-N	421.500	5.802	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cccc(Oc4ccccc4)c3)n2)cc1	4795916	NMVFDRIKSDZITP-ZHZULCJRSA-N	410.498	6.675	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(OC(F)F)cc1	4963998	OZDPIJNADPWMFY-WGOQTCKBSA-N	410.420	5.021	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2)cc1	6255983	QDXZTBMDXKLMBX-OVVQPSECSA-N	409.489	5.129	50	40	HKGB	
CC(C)c1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	9693330	LKHPAEKXPWYJDI-HXUWFJFHSA-N	423.969	5.683	50	40	HKGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	13027720	YMSOUEQHJKFLCK-FYJGNVAPSA-N	409.470	6.449	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	15228796	DNNCNLQUEYYLRI-YBEGLDIGSA-N	416.868	5.386	50	40	HKGB	
CCCCN1CC=C(/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21	17089428	LBSKXTGQLCVYGO-HMMYKYKNSA-N	412.942	5.225	50	40	HKGB	
CCCOc1ccc(/C=N\NC(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	32703905	KNMUKTIFQMXVNJ-KQAYJTRBSA-N	402.494	5.060	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2[C@@H](C)CC1(C)C	223576895	TXHJZHPBWJFLFE-CWGWECIMSA-N	415.581	6.270	50	40	HKGB	
CC(C)[C@@H]1CCC(=O)C[C@@H]1CCCC[C@@H]1CC(=O)C[C@H]1O[Si](C)(C)C(C)(C)C	263612476	YFMIIKKOFCPZSV-JFSTXAPLSA-N	408.699	6.558	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C/c1cc(C)n(-c2ccc(C)cc2)c1C	408740961	FSUCNVPWWBSVDI-SRZZPIQSSA-N	405.505	5.411	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC#N)c(Cl)c2)cc1Cl	408985484	XCFXHZGCCDVKQF-MLPAPPSSSA-N	420.683	5.403	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)c(Br)c1	409236764	HBYWCRDGIGRWDR-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1OCc1ccccc1	654657	QWWGOGXYSRUHJF-CKMDTHJYSA-N	412.489	5.059	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1OCc1ccccc1	654661	QWWGOGXYSRUHJF-SYVPYPDPSA-N	412.489	5.059	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ccc(Cl)cc1	937135	IMZUFAAWAOIEEX-FMIVXFBMSA-N	417.679	6.452	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	4547658	JAGZTYAWYKVMKT-UDWIEESQSA-N	413.433	5.028	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c1	33957588	LXGWBPGZWSJCEU-JFLMPSFJSA-N	411.505	5.334	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1ccc(Cl)cc1	39884582	BOEDMFUDDVPJFE-ZRDIBKRKSA-N	417.679	6.452	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2[C@H](C)CC1(C)C	208301547	CZKRRHVDWRTEHO-AZRQGOPLSA-N	418.368	5.869	50	40	HKGB	
CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)cc1	252479573	BHRNBXBOUFUWPW-HMMYKYKNSA-N	414.461	5.368	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc(C(C)(C)C)cc1	408568638	VQBKSOOBYFJNBE-UYRXBGFRSA-N	412.512	6.471	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc2ccccc2c1	408723078	QETIVXDKZAKZKL-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1Cl	408873729	VFUPBRCTJICUPG-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cccn3-c3cccc(Br)c3)[nH]c2c1	409012376	JOSZNMCMPHVZDQ-PTNGSMBKSA-N	403.283	5.489	50	40	HKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=C(\C#N)c2ccccc2)cc1	409068836	JAGQGPVSVQKMHA-CPNJWEJPSA-N	409.894	5.480	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OC)c1OCCC	409074938	OPVAXLQBLDAEMZ-HMMYKYKNSA-N	420.509	5.157	50	40	HKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409208434	BZLIPHITQOFYED-RGEXLXHISA-N	422.444	5.252	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)c1	409366864	ZQJDNEJKTRXTBZ-YDZHTSKRSA-N	411.299	5.019	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc3c(s2)CCCC3)cc1OCc1ccccc1	4558005	SREKKEOZGAYSJH-CPNJWEJPSA-N	402.519	5.674	50	40	HKGB	
Cc1ccc(S[C@H](C(=O)c2ccc(C)cc2)[C@@H](Cl)c2cccc(Cl)c2)cc1	4576094	CMHMNBBOAYDXJT-GMAHTHKFSA-N	415.385	7.281	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(Br)c1	9008902	CLDGNDAPBKGUNE-GZTJUZNOSA-N	424.367	6.474	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccccc1F	28216242	GZRRWJJWAGIPLD-WYMPLXKRSA-N	415.921	5.129	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)c1cccc(Br)c1)[C@@H](C)CC(C)(C)N2C	208214988	BGXAUWRZETUZKQ-WSLMLHKMSA-N	409.371	6.544	50	40	HKGB	
CCN1c2cc(C)c(/C=N\NC(=O)c3cc4ccccc4o3)cc2[C@H](C)CC1(C)C	208326135	JRGLAWZSVNTZSP-LNIIIOKPSA-N	403.526	5.617	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	209280272	HIECZVYWBRTASV-RGEXLXHISA-N	418.880	5.473	50	40	HKGB	
CCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(Cl)cc1	408530713	KDTYMRGEMDGSCQ-MTJSOVHGSA-N	409.711	5.045	50	40	HKGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1	408533283	RVMWHWWTRDWDMH-GHXNOFRVSA-N	408.049	5.184	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccc(C)cc2)cc1OC	408540180	OESPJYZVHQQDFH-IWIPYMOSSA-N	402.922	5.380	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c(OCc2ccccc2)c1	408797150	BKNDEJKQZWZOFW-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408801444	ASTSBUQOAOUZIB-GZTJUZNOSA-N	424.972	6.495	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	408885690	DZAPSRCIALWMQB-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1cccc(F)c1	409390042	DHIZSXOKUVNMQZ-UWVJOHFNSA-N	423.274	6.647	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)cc1	409391652	JCRGTFALAMPVEI-MTJSOVHGSA-N	417.436	5.566	50	40	HKGB	
COc1ccc(C(=O)[C@@H](Cl)[C@H](Cl)c2cc(Cl)c(OC)c(Cl)c2)cc1	1685470	NTLSRRWXWHTNQB-CABCVRRESA-N	408.108	5.781	50	40	HKGB	
Clc1ccc2c(c1)[C@H](Br)[C@@H](Br)c1ccccc1S2	2193121	SHLLLFJUDXTXGP-KBPBESRZSA-N	404.554	6.377	50	40	HKGB	
Clc1ccccc1[C@@H](c1ccc(I)cc1)C(Cl)Cl	3184528	QMDANTHGDUCXOA-CYBMUJFWSA-N	411.497	5.880	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)N/N=C\c1ccc(Cl)cc1Cl	8647775	RAEAXHGIBOOHBA-IBTVWHFQSA-N	413.091	5.357	50	40	HKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	13774634	JLJPVCMTFNOIEA-AQTBWJFISA-N	423.969	6.647	50	40	HKGB	
O=C(CCl)c1cc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2)s1	16492767	JZXGHHAJPWNAOQ-UHFFFAOYSA-N	403.934	7.306	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC)cc3)cs2)cc1	17286311	QZPTXNUPAMTSMZ-HMMYKYKNSA-N	417.534	5.916	50	40	HKGB	
CN1/C(=C(\C#N)C(=O)CSc2nc(-c3ccccc3)cs2)Sc2ccccc21	103830391	SHDDZJDHTKTQRP-HKWRFOASSA-N	421.572	5.449	50	40	HKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c2c1	408774819	DCADXGJGEBSTAH-XSFVSMFZSA-N	421.500	6.006	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1cccc(C(F)(F)F)c1	408960642	NKUZHQYVOZSLQK-NDENLUEZSA-N	423.390	6.047	50	40	HKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3c(C)cccc3CC)c2C)cc1	408961380	SHUBEYPOBVGLLR-QQXSKIMKSA-N	418.541	5.519	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1cccc(Br)c1)Nc1ccccc1Cl	409009372	DWYKSBXPAQGJQZ-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)c([N+](=O)[O-])cc1OCc1ccccc1	409392121	LGPSPPDMPFLAOT-GRSHGNNSSA-N	404.397	5.386	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1OC	1178592	IIIXOONTWASOIR-NTEUORMPSA-N	410.813	5.590	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(Br)c1	1947417	LYOVBAJMQGHVHL-ZVHZXABRSA-N	403.279	5.519	50	40	HKGB	
Cc1nn(-c2ccccc2)c2sc(C(=O)N/N=C/c3ccc(C(C)(C)C)cc3)cc12	2074555	FJZUFZMPDPSEQJ-MFKUBSTISA-N	416.550	5.457	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C\C2=Cc3ccccc3O[C@@H]2C)nc1-c1ccccc1	6763664	KPZFOEVDZBUCON-CTFRJJSNSA-N	413.502	5.540	50	40	HKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC	12411286	LXHDLMUXRJNLDM-MDWZMJQESA-N	415.312	5.530	50	40	HKGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1	13739411	JDHUUGXVMBIFQW-HYARGMPZSA-N	424.525	6.558	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	20764514	JFKWVVVMZYHHES-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/C(Br)=C\c3ccccc3)n2)cc1	27490374	JIKDJOFBGQVBRD-VQVMMYKWSA-N	423.335	6.162	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1	408782929	LGCSZLKQAHYQOS-OGLMXYFKSA-N	411.549	5.132	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc2[nH]c3ccccc3c2c1	408816502	UXKPYQMPTNMUND-XNTDXEJSSA-N	401.853	5.529	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)cc2)c1	408893044	DVVRJDORGKSVQB-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409146239	SDNDAZSBCBJZAB-FOKLQQMPSA-N	409.382	5.674	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)cc1C	409200056	GBVNLYVNBVEDIX-FOWTUZBSSA-N	410.395	6.128	50	40	HKGB	
N#C/C(=C/c1cn(CC(=O)Nc2ccc(F)cc2)c2ccccc12)c1cccc(F)c1	409394297	YFMSUSXKNOFBPN-PDGQHHTCSA-N	413.427	5.622	50	40	HKGB	
C=CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC	2162547	DHLHWQJABWKYCM-WGOQTCKBSA-N	414.461	5.313	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(Cl)cc1	3285459	XVCGAQSERUNXEO-YDZHTSKRSA-N	406.898	5.018	50	40	HKGB	
Cc1ccc2nc(C)cc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)c2c1	5006968	OMKCJLKUSCOXGJ-OPEKNORGSA-N	417.456	5.113	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1	5568443	HSIJHXRKXCQCKG-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
CC1(C)[C@@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1ccc(Cl)cc1	6393358	HMFYWVPVGYBNMK-PXMKGOGNSA-N	408.933	5.277	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(F)cc2)c1C	6792668	XYAAEAGJUOUWEJ-JFLMPSFJSA-N	415.468	5.159	50	40	HKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@H]1c1cccc2ccccc12	20238366	YWOWIZINHQIYBB-QFIPXVFZSA-N	411.530	5.055	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)OCCSCCCl	100307389	ZSKWTVFNEFSAPM-UHFFFAOYSA-N	407.104	7.763	50	40	HKGB	
CC(C)(C)OC(=O)NCCCCCCCCCCCCI	138841784	KVMBJIOFRRKRHE-UHFFFAOYSA-N	411.368	5.847	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)CSC2c3ccccc3-c3ccccc32)CC1	408876269	OGZTUYWUAOYPKM-UHFFFAOYSA-N	406.595	6.198	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1	408982775	FGFVWIOYDCOWRR-BKUYFWCQSA-N	417.940	6.218	50	40	HKGB	
CCn1c2ccccc2c2cc([C@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	671034	ZHDHJLHWXJRPKK-CPJSRVTESA-N	417.516	5.408	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OC(=O)Cc3cccc4ccccc34)cc2)cc1	3081622	RDWCMJUJQOWEKT-MTDXEUNCSA-N	422.484	5.060	50	40	HKGB	
N#Cc1cc([N+](=O)[O-])ccc1[C@@H](Br)[C@H](Br)c1ccccc1	4266310	OSZGSUAGFFSIGF-HUUCEWRRSA-N	410.065	5.039	50	40	HKGB	biogenic
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	10475779	CJUZDPSLUUQWQN-ZMOGYAJESA-N	417.292	5.345	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccccc1C(F)(F)F	12540052	FLCGFWRPSVEGLK-SFQUDFHCSA-N	406.411	6.053	50	40	HKGB	
CCn1c2ccccc2c2cc([C@@H]3[C@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	19860516	ZHDHJLHWXJRPKK-NBGIEHNGSA-N	417.516	5.408	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1	35374539	RXOPHSCLDBIFRZ-HYARGMPZSA-N	423.516	6.222	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	39884506	OSJILQBBCPREKS-MHWRWJLKSA-N	411.288	6.416	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1ccc(Cl)cc1	59116700	BPEMFQPEYTYVCZ-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1c(Cl)cccc1N=P(c1ccccc1)(c1ccccc1)c1ccccc1	98008930	CPADYLYHCNMDOF-UHFFFAOYSA-N	401.877	6.458	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1	100870609	RJBSTMFVVLBOMY-NRFANRHFSA-N	412.555	5.143	50	40	HKGB	
COc1cc(C)c(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)cc1C(C)C	108039891	YLUJFUGCGOLBOU-SSDVNMTOSA-N	411.483	5.014	50	40	HKGB	
CN1CCc2cccc3c2[C@H]1Cc1ccc(O[Si](C)(C)C)c(O[Si](C)(C)C)c1-3	195797830	ASFGTMOBZFKDSN-LJQANCHMSA-N	411.694	5.866	50	40	HKGB	in-vitro
COc1ccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@H]3C)cc1	260572504	WJKMGZVLOCMGIX-GTPWMTBTSA-N	407.558	5.268	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408803817	ATJXBBZXJYRROD-REFDIGOOSA-N	424.544	6.021	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)NC(=S)N1	409369776	WQILCTKTAQCRFV-LJQANCHMSA-N	411.958	5.262	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c(OC)c1	694391	UQNVYGZBQBUQGG-WGOQTCKBSA-N	415.493	5.205	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1	1788428	OVXRZSHYWFXREB-XSFVSMFZSA-N	409.894	5.257	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1	3192574	VGIGJRIPVVRQOR-XFFZJAGNSA-N	423.803	5.394	50	40	HKGB	
CCc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(SC)cc3)CC(=O)N2C1	4923257	VLYAERMZZYTMAW-LJQANCHMSA-N	421.591	5.190	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\C(Br)=C\c3ccccc3)n2)cc1	32559942	ZROFXLLKOUJUHX-FEVCJLATSA-N	407.336	6.462	50	40	HKGB	
C/C(=N/NC(=O)COc1ccccc1-c1ccccc1)c1cccc(Br)c1	34911341	AFROECPQKMIBSH-JLPGSUDCSA-N	423.310	5.035	50	40	HKGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	100843784	FPKMQOUJMDLQJV-FMIVXFBMSA-N	415.305	5.192	50	40	HKGB	
N#C/C(=C\c1ccc(I)cc1)Sc1nc2ccccc2s1	107565761	HUIHVLKSWVEOEF-UKTHLTGXSA-N	420.300	5.558	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cc(C)cc(C)c2)cc1	408882295	OKGFXQGJMFFOEV-PXLXIMEGSA-N	412.489	5.437	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	409227864	SENCCZDCTYNGKO-FBKCMUNRSA-N	418.415	5.437	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(F)(F)F)c1)c1ccccc1	409241507	OAKZSKMHVDPCKD-OKSBFYSISA-N	409.411	5.280	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)cc1	2769409	IDKDSGPKQOSTIR-GNYKCMPYSA-N	413.546	6.241	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	4135162	NYSLGZILYSHNQG-NTMALXAHSA-N	408.260	6.372	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl	6224138	ISXBSZXOQXXAIE-PVLQNKMRSA-N	410.901	5.443	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)c(F)c1	9323112	SNMXXIYREGGKPV-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
Cc1cc(Br)c(C)c2sc(NC(=O)[C@H](Br)C(C)C)nc12	20133292	SUAJDPLMZVTDJS-SNVBAGLBSA-N	420.170	5.034	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(OC)c1	59335971	OZPXXMSDKUOTBT-PTNGSMBKSA-N	418.324	5.394	50	40	HKGB	
Cc1cccc(COc2ccc(Br)cc2/C=C(/C#N)c2ccccc2F)c1	107562022	UKMMYIAHISGLKO-UNOMPAQXSA-N	422.297	6.540	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccccc1F	107592358	HUGHWUUPUCSWFJ-JWGURIENSA-N	402.472	7.046	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1Cl	252494467	NWQNUWPBURVEPP-XDHOZWIPSA-N	404.897	6.578	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccccc1	408742705	XXWXKXNIEOOESY-XDHOZWIPSA-N	408.270	6.231	50	40	HKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408801968	XJDZLWDPLYPWQN-NTEUORMPSA-N	419.706	5.435	50	40	HKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2795105	JYOWHSIPPYNDBT-XNTDXEJSSA-N	400.787	6.058	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1C	4966329	QLXMRZNBMZCBMB-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)sc2c1CCCC2	6076567	TUNMFPLJVPIKKQ-KAMYIIQDSA-N	414.914	5.003	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C	35984165	STUMUGIDOYWJQH-ZEQHCUNVSA-N	421.109	7.846	50	40	HKGB	
FC(F)C(F)(F)CO[C@@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	227002687	GXGLHNCRLZGEBB-TYPSWONNSA-N	420.621	5.214	50	40	HKGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1	408777147	VYOGSFDSHMNHSE-RDRPBHBLSA-N	419.528	5.162	50	40	HKGB	
C=CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccccc1	409058120	RKJGLTDPEWLMPK-OQLLNIDSSA-N	419.116	5.841	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)o2)cc1	7385710	QMBZOCOOHSWCLI-LFVJCYFKSA-N	405.523	5.103	50	40	HKGB	
Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1/C=C(\C#N)c1ccc(Cl)cc1	12955815	YMKYIDJDBUZWBJ-RIYZIHGNSA-N	415.707	6.280	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	28215868	CJQRDBOYCCWTEZ-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
CCCc1ccc(C(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2cccnc2)cc1	34864158	JGQQBVPLELNEBY-KQWNVCNZSA-N	418.500	5.677	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3Cl)c2C)c1	59336064	CJPXMHSQFRCPDL-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
CCCCCCCCCCCCc1ccc(/C(C)=N\NC(=O)c2ccc[n+](C)c2)cc1	104183227	LSSCFFOKHKMCEO-NFFVHWSESA-O	422.637	6.129	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c1C	408588748	JLZLXVJNCUPFCV-DHRITJCHSA-N	414.336	5.402	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3C)nn2-c2cccc(C)c2)cc1	408726741	TXFDOEKSEOOGCV-WPWMEQJKSA-N	408.505	5.228	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408809890	SMCUFGRDQSNNJQ-JUIBXWIASA-N	415.512	5.431	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	408983308	LHEPOEAYIOVDJL-MLPAPPSSSA-N	409.700	5.900	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	409044264	VBNSNXJDMGNYGD-CXUHLZMHSA-N	403.309	5.945	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1	409072929	WLHSXSICQWPTTO-ATVHPVEESA-N	415.867	7.574	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(C(C)C)cc2)sc2c1CCCC2	6076563	ALYILYVMLJHSEJ-AQTBWJFISA-N	422.550	5.473	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)ccc1Cl	6440981	AVPVPAZFUCSTHK-AQTBWJFISA-N	413.860	6.604	50	40	HKGB	
CCOc1ccccc1C(=O)N/N=C(\C)c1ccc2c(c1)Nc1ccccc1S2	17082711	PPUUZWKKAWVOLE-MFKUBSTISA-N	403.507	5.448	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CCSc2ccccc2)c1C	28216989	KMFRJYPYFDPCJY-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1ccc2ccccc2c1	35518382	VBFPWDWEVWJKBE-XMHGGMMESA-N	409.401	5.554	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(F)c2)c1)C(=O)Nc1ccc(Cl)cc1	59116907	KODHLTGJFCKAHW-WQRHYEAKSA-N	406.844	5.604	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1OCc1ccc(C)cc1	59117172	PFCSPDXWQWQVCW-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1	59473211	XFTWICIGDXCCBB-XQNSMLJCSA-N	405.479	5.041	50	40	HKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CSCc2ccccc2)cc1	408770762	CEPNPZLNWUKENK-LHLOQNFPSA-N	402.563	5.859	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1)C(=O)Nc1ccccc1	408790122	NVYHLIIIMYNBLL-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccccc1F	408804315	XKYLSBMSUZWXPP-CJLVFECKSA-N	422.459	6.104	50	40	HKGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408877880	XRFPCKHWUIVIPS-GHONEHJGSA-N	419.333	5.884	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCC2)c(F)c1)C(=O)Nc1ccc(Cl)cc1Cl	409067454	QWLMZCKNLIJJJL-ZROIWOOFSA-N	404.272	5.278	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)o2)c([N+](=O)[O-])c1	409252903	ULJJBFGDHGWEGM-MFKUBSTISA-N	419.481	5.154	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	4155060	QIPVFPGXZNZDMR-ZROIWOOFSA-N	401.318	6.580	50	40	HKGB	
C/C(=N\NC(=O)CCn1c2ccccc2c2ccccc21)c1ccc(Cl)c(Cl)c1	9375580	YGNFCEZZLCOCJO-CVKSISIWSA-N	424.331	6.032	50	40	HKGB	
CC(C)(C)c1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	34261507	DROBRXXGGWEPET-VEILYXNESA-N	407.517	5.963	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccccc1	59109339	SLDIHIOXIRBFBU-ZHZULCJRSA-N	412.514	6.338	50	40	HKGB	
O=C(NN/C1=C(\C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1F	59488974	MKLIJKYRKKJHTK-VLGSPTGOSA-N	414.443	5.360	50	40	HKGB	
c1ccc([C@]23C[C@@H]2COP3(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104194427	BXVSDQHJARXQCQ-UFHPHHKVSA-N	408.481	5.377	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OCC	107640529	RTGREFBDVLRMSI-GDNBJRDFSA-N	402.263	5.616	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	408762088	COGSRNOUNAMXAQ-MOSHPQCFSA-N	403.913	5.856	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1Cc1ccccc1F	408883516	RGFPBXTWXFMZRS-XDHOZWIPSA-N	404.416	5.110	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c(C)c1	408967620	RHBQCVCMGVBICM-YUMHPJSZSA-N	416.569	6.164	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc(Cl)c1	409011699	OFSWECXTVFFZOF-MYYYXRDXSA-N	410.901	5.201	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2cccc3ccccc23)cc1OC	409310677	WBTQGUXCRGHFES-LDADJPATSA-N	418.290	5.687	50	40	HKGB	
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1	713605	CJEMOHWDMWSKOS-JOCHJYFZSA-N	403.913	5.207	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	1453341	BDIZQGLXYFLCOP-NTCAYCPXSA-N	412.367	5.520	50	40	HKGB	
Cc1cc(C)nc(SCc2ccc(C(=O)N/N=C3\C[C@@H](C)CC(C)(C)C3)cc2)n1	5751169	MMLSAFBYSXHPQA-VDTAOSLHSA-N	410.587	5.318	50	40	HKGB	
C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccc(N2CCCCCC2)cc1	13096309	ICHQFAQQDFAECX-ZXVVBBHZSA-N	400.526	5.078	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)ccc3Cl)n2)cc1	13774025	MHJXKSRGJOCCJX-PTNGSMBKSA-N	400.334	6.656	50	40	HKGB	
N#C/C(=C/Nc1ccc([N+](=O)[O-])cc1F)c1nc(-c2ccc(Cl)cc2)cs1	44835373	NNPVGGISAPBWDO-XFXZXTDPSA-N	400.822	5.487	50	40	HKGB	
Cn1c([C@H]2CCCCN2C(=O)CCCC[C@@H]2CCSS2)nc2ccccc21	56132109	FWGBHZWTNVPBIO-VQIMIIECSA-N	403.617	5.341	50	40	HKGB	biogenic
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1	58823261	UDAZZWWGBXXEFD-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccccc1Cl	217709343	GAWHSWXTKVKEOR-UHFFFAOYSA-N	404.087	5.459	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	408790994	SGWOOCSCTDLGOL-LFIBNONCSA-N	421.840	5.616	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408802900	IYXXBCFJFKFOFI-NBVRZTHBSA-N	400.865	5.359	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)cc1	408871628	ZIVGQVMRXRMNFK-CJLVFECKSA-N	400.909	6.039	50	40	HKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c1	409024107	VSPNCLWRJZVGEO-ZMFRSBBQSA-N	419.912	5.874	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	948096	NXAHVFOVTGTPOX-KGENOOAVSA-N	409.894	5.257	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	5792354	AUOIPHZXCFVHMH-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
CCC/C(=N\NC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1	14922815	AGYIOBIVTNTIHH-CAPFRKAQSA-N	424.136	5.146	50	40	HKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	97980656	JEOTUOCCBYOOKE-SAPNQHFASA-N	416.928	5.357	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc2ccccc2c1	408723681	ZTUJMUXMKAHHSN-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)c1	408746657	UZYFKRCDGKURAT-WJDWOHSUSA-N	406.869	5.853	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408871196	WKLCEABKOCUYRL-FYJGNVAPSA-N	418.899	6.178	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2C)cc1	409188371	YQJHAIRYDHDUGY-PDGQHHTCSA-N	411.332	6.864	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2F)c2ccccc12)c1ccccc1	409244982	LOVXGEBVGPSZRX-UQRWVXEISA-N	423.491	5.613	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)s1	703638	MLKSGZQBBZZWDR-SFHVURJKSA-N	417.317	5.537	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(C(C)(C)C)cc1	4106999	HOASAMVYWRCURZ-CVKSISIWSA-N	407.945	5.809	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1F	6441314	FPNLBDLHKOGLRO-JCMHNJIXSA-N	409.460	6.631	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)s1	12657525	KSWPZWWAFJDGOJ-YDZHTSKRSA-N	419.333	5.788	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)C(=O)Nc1ccccc1F	209382215	HKQDWFZQVJDSML-XFXZXTDPSA-N	411.776	5.193	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)c(C)c1	216039923	OWQHJMZRFHBLBQ-MIXAMLLLSA-N	422.528	5.728	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1)c1cccc(C(F)(F)F)c1	408774275	BUSYAPYFGDBBJY-YBEGLDIGSA-N	411.339	5.865	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1	408866449	FWIWMOQOEGNWQR-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl	409228078	TWIBIDFRJNHESM-BOPFTXTBSA-N	403.309	5.048	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2ccccc2)o1)C(=O)NCCc1c[nH]c2ccccc12	1092329	KBEHXQPTCIFJIA-NBVRZTHBSA-N	413.502	5.178	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	4922875	AVXLMBMCAONXEK-LJQANCHMSA-N	409.942	5.122	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)o2)c1	5745983	QNAKYIAUTSHAGZ-KAMYIIQDSA-N	410.882	5.638	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(F)cc1	8207129	IUDKXYCEVYTNCT-ODLFYWEKSA-N	404.397	5.386	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1	31879882	FGRCLYOPPDXPBM-ZHZULCJRSA-N	415.518	5.706	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3OC)n2)cc1	100239426	VAOFKSMTWRSOJH-NTCAYCPXSA-N	411.914	5.847	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1	105066388	QFEPXKXQAMTZIS-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208218311	QVERNADUCFLSOD-JUCPORTRSA-N	403.448	5.191	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C	208236920	BOBYEMCUSCHKGZ-ANQVYJHKSA-N	423.564	5.726	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1C	408734680	ILFPKOPPJUIZOS-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	408744320	XTOBPLGLSQIBKX-BOPFTXTBSA-N	410.304	5.947	50	40	HKGB	
C=CCn1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	408820198	UMWDUUKVHMKYHU-FMCGGJTJSA-N	422.282	5.100	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2F)c1)c1cccc(C(F)(F)F)c1	408966767	NIZYEGVFDSIQGN-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N\NC(=O)c2ccc3ccccc3c2)c1C	408997119	RHEUCWBVLPNUTC-DICXZTSXSA-N	415.924	5.973	50	40	HKGB	
Cc1cccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	919077	XFQPSUVJGVCMGB-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	10475859	MIBBXZKXCHIKOL-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(Cl)cc2)CCCC1	225522743	KROQGFRRVXFRDN-UHFFFAOYSA-N	422.750	5.564	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1	408760972	BIGXFUIJVDMOPO-BKUYFWCQSA-N	417.940	6.164	50	40	HKGB	
CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408792935	MOCQTATWNSPNPD-UKTHLTGXSA-N	405.679	5.047	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1cccc(Cl)c1	408799252	YMGNSULJLQKMJX-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OC	408983664	NFGORBUJFYVASS-AUWJEWJLSA-N	405.281	5.255	50	40	HKGB	
CCC(C)(C)C1CCC(=NNC(=O)C(=O)NN=C2CCC(C(C)(C)CC)CC2)CC1	5791971	JPZYKMVHQBWYAM-UHFFFAOYSA-N	418.626	5.184	50	40	HKGB	
Cc1ccc2nc(SCC(=O)N/N=C/c3ccc(Cl)c(Cl)c3)cc(C)c2c1	6281458	KDRXGUCUEXFANO-AUEPDCJTSA-N	418.349	5.401	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(Sc2ccccc2)cc1	6735996	LRSLZXLBGSMHBK-YZSQISJMSA-N	412.514	5.764	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(F)cc1	8812209	FOIPZKBRLDQUAG-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
Cc1cccc(OCCn2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c3ccccc32)c1	9721044	SKIWCZMDAXDASF-LTGZKZEYSA-N	423.472	6.001	50	40	HKGB	
Cc1ccc(N[C@H](c2ccccc2)[C@@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16293172	BOPGCMCJMKWRLN-XNMGPUDCSA-N	422.553	6.767	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	59245268	CJWFGZOMBSGABR-SFQUDFHCSA-N	413.315	5.346	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1OCC	408539704	YCHBAAFTQILFCQ-XDJHFCHBSA-N	408.498	5.296	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1Oc1ccc([N+](=O)[O-])cn1	408739246	UOGAVHKUGFNRAS-MHWRWJLKSA-N	407.813	5.508	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2c1	408777915	LWHSWEXIANERQU-AQTBWJFISA-N	416.477	5.191	50	40	HKGB	
CC(/C=N/NC(=O)c1ccn(Cc2ccc(Cl)cc2)n1)=C\c1ccc(C(C)C)cc1	1091845	NYDZIFOLAANDJR-OSELTCGRSA-N	420.944	5.527	50	40	HKGB	
Clc1cccc([C@H](c2ccc(I)cc2)C(Cl)Cl)c1	1705312	AGDVNCQNAITBNZ-ZDUSSCGKSA-N	411.497	5.880	50	40	HKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)c1	4063734	RIGROQTVVKXGLB-KNTRCKAVSA-N	419.550	6.364	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1cccc(Cl)c1	8812477	ZELVDMWTAKUAQN-MZJWZYIUSA-N	419.887	5.554	50	40	HKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccc(Br)cc2)cs1	13739428	KIVAAIRJOZDWMF-PDGQHHTCSA-N	417.331	6.790	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C\c1ccccc1Cl)c1ccccc1Cl	17024670	ZMLHDXQRVIRHQJ-CFRMEGHHSA-N	412.276	5.010	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc(C(=O)O)cc1	33768316	BWXGDVUKQHXRDL-MOSHPQCFSA-N	423.428	5.360	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1cccc(Cl)c1	59117055	KFZPBXVQQPLICB-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c([N+](=O)[O-])c1)c1nc(-c2ccc3ccccc3c2)cs1	96751841	ZSKVWWVVNOMVOX-ATVHPVEESA-N	416.437	5.987	50	40	HKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1cc(Cl)c(O)c(Cl)c1	104093424	OBSABKJUOFVSJG-KSEXSDGBSA-N	420.167	6.042	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Br)cc1	408535708	ZTSHACHDDWHSSL-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)c1ccc(Cl)cc1	408579530	HIZRFOYMFDBSNA-WOJGMQOQSA-N	414.719	7.290	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OC(C)C	408582710	PHYWLUFBBOBKCU-LICLKQGHSA-N	416.315	5.708	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccccc1C(F)(F)F	408602468	OHCQXNJNOUIVTB-MRUKODCESA-N	410.754	5.522	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(F)c(Cl)c1	408813469	QXXPDPKIGVOYRN-YVLHZVERSA-N	418.821	6.970	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(C)cc3)o2)cc1	408854579	IUUOAFNGKHZLPF-VKAVYKQESA-N	404.491	5.684	50	40	HKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccccc1)c1cccc(Cl)c1	409114470	JUSZLXXNAFPTJM-XKZIYDEJSA-N	411.870	5.163	50	40	HKGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3050537	RNDAQLKFADZCCF-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1C)=N\NC(=O)c1ccc(Cl)cc1Cl	5362138	YADNMGZYNYASJB-FOKLQQMPSA-N	412.704	5.090	50	40	HKGB	
CCOc1cc(C(=O)N/N=C(\CC)c2ccc(Cl)cc2)cc(OCC)c1OCC	5415438	IMIGCLUQLNPDQK-HKOYGPOVSA-N	418.921	5.080	50	40	HKGB	
Cc1ccc(Oc2coc3cc(OC(=O)/C(C#N)=C/c4ccccc4)ccc3c2=O)cc1	6162613	PZMJWVSGYYGDIY-CPNJWEJPSA-N	423.424	5.406	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1	6427270	VCRLXWIWDWPJOC-MHWRWJLKSA-N	411.288	6.416	50	40	HKGB	
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3ccccc3N2C(=O)CCl)cc1	9482837	PWDPBEYHKPWYLE-QHCPKHFHSA-N	408.929	5.377	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc21	223512404	CUPZHEQLNJJRRW-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c1	223549135	HEQOMZFRNHIOII-UOIFGXKSSA-N	401.554	6.041	50	40	HKGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br	408581054	TWNJTZBFHQLMHC-MDWZMJQESA-N	407.094	5.832	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1OC	408582960	PZEOEQPAKGQZRF-UDWIEESQSA-N	416.433	5.255	50	40	HKGB	
O=C(COc1ccc(-c2ccccc2)cc1)NN=C1c2ccccc2-c2ccccc21	4705099	XMWKQRNXECCVMW-UHFFFAOYSA-N	404.469	5.282	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)NCc1ccccc1	4723686	BMLBRUSQSFDAGN-UQQQWYQISA-N	418.496	5.642	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccc(C(C)C)cc2)nc1-c1ccc(C)cc1	4897992	XITUPQMBXCNASS-FYJGNVAPSA-N	401.535	6.265	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3Cl)n2)cc1	9330750	CQPPRAAKMYPKCH-KAMYIIQDSA-N	416.333	6.492	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(C#N)cc1	12563667	UHDZSELLEOJEBO-MUFRIFMGSA-N	424.891	5.581	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1C	14134571	KVDBHJUXKKDANJ-RDRPBHBLSA-N	422.528	5.728	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc2[C@H](C)CC1(C)C	208314875	GOMAPDBNVAIKKN-UOIFGXKSSA-N	401.554	5.961	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccc(F)cc1	209483004	JNLNAODKFRCSBB-RGVLZGJSSA-N	407.872	6.439	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1O[C@@H](C)CC	408551978	QIPISEDFGANDGP-SLCIXIPPSA-N	405.925	7.133	50	40	HKGB	
CN(C)C(=O)/C(C#N)=C\c1cn(CCSc2ccc(Cl)cc2)c2ccccc12	408779860	MKLYJNOFWQHCKP-SSZFMOIBSA-N	409.942	5.082	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc(Cl)c1OC(C)C	408870035	UYUNTYFWJOVIHI-WOJGMQOQSA-N	412.917	5.634	50	40	HKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccccc1	408898973	YUISXJZOFKUWCE-LTGZKZEYSA-N	422.459	6.104	50	40	HKGB	
CC(C)Oc1cccc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c1	409037747	YWWQZTBKSZMKDK-WPWMEQJKSA-N	409.489	5.453	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(SC)cc4)CC(=O)N3C2)cc1	4923246	PSWBJUFJDGECNB-HXUWFJFHSA-N	421.591	5.190	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccccc1Cl	8812202	XBTRQBRGRNDPBI-MZJWZYIUSA-N	419.887	5.554	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)c1	59201307	PYDNRAOPMXLAKC-MTJSOVHGSA-N	416.908	6.082	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1ccc(Cl)cc1	83293049	QCOLNUHEWYHZFK-YSMPRRRNSA-N	422.912	5.390	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C(C)C	223589184	JCSWDDCLOQWRTA-OXVLKEGXSA-N	411.977	5.913	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1)C(=O)Nc1ccccc1	408759984	PMXCVNBACRUEJJ-QGOAFFKASA-N	402.837	5.105	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1OCC	659700	ORAJQRHNJQYCGI-MFKUBSTISA-N	402.450	5.147	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	1904590	NFMUFORNZAYQRF-CVKSISIWSA-N	404.510	5.199	50	40	HKGB	biogenic,in-vitro
CCCOc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1OC	2759068	NJCZCUILDAZMDP-WSDLNYQXSA-N	402.903	5.116	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1OC	5013294	RQONCWKCWCVXIX-DEDYPNTBSA-N	404.535	6.370	50	40	HKGB	
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(Br)c1	5369648	UWXKZUUAIKXRFJ-WSJMOLPHSA-N	413.359	5.391	50	40	HKGB	
Cc1cccc(C)c1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1	6814949	XVQAPQFVPSBVSE-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1	8722690	PLLXUEFVQHOVNX-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
COc1cc(Br)ccc1-c1oc(/C=C/C(=O)Cl)cc1Br	57353785	SKZAOQITUXJIHI-HWKANZROSA-N	420.484	5.259	50	40	HKGB	
CC(C)(Cl)[C@@H](Cl)CC/C(CBr)=C(/Cl)CBr	104310996	NWPBPKLFGPSJGT-FUOZMLNRSA-N	401.397	5.674	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)c1	408849115	VIFPQBWAAZJTMO-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408968054	TZIXRJHNAKVESL-QQXSKIMKSA-N	402.542	5.856	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Cl	409012547	KEYITXDXPWHPRT-OVMKCGGTSA-N	409.711	5.044	50	40	HKGB	
C=CCOc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409021389	FEEAXBDJPATGNZ-QFEZKATASA-N	404.853	5.568	50	40	HKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1Cl	409056108	KTSCETQCTWQTRK-VGOFMYFVSA-N	407.272	5.713	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(Sc4ccc(C)cc4)cc3)oc12	409245708	XXUTZWMCNMFFLO-MFKUBSTISA-N	416.502	5.665	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc3ccccc23)c1C	409378129	MHSYZNQMYYJDLK-HZHRSRAPSA-N	408.505	5.343	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	6954889	OYJAYBOXRVFONU-VULFUBBASA-N	417.896	5.116	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1Br	59432964	XYCADSIXPVQEFH-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
C[C@H]1C[C@H](N[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1	95676465	RTTSRQHDBYZLNL-STWLZBDKSA-N	421.521	6.097	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1C	408793049	CVIYHZPUEGJTIG-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)CNc3ccc(C)c(C)c3)c3ccccc32)c1	409001880	XHNCWEUSPBPBGM-WKULSOCRSA-N	424.548	5.177	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1	1439500	KSPWFFOKDSROIJ-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
O=C(CCl)N1CCCC[C@H]1CCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2160969	WIXQJLQYXONCLG-AWEZNQCLSA-N	416.793	5.146	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccccc1C#N	8694917	OXFWTQHYUFAZIR-FYJGNVAPSA-N	420.472	5.476	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)c(OCC)c1	9183619	JEOLEGDOQWTNMW-MFOYZWKCSA-N	420.490	5.400	50	40	HKGB	
CC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20132415	JYKIOUVGVGVTOG-CQSZACIVSA-N	423.307	5.126	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	20197245	REOXWGSEUHZYHO-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
Cc1ccc(S/C(Sc2ccccc2)=C(/C#N)NC(=O)c2ccc(C)cc2)cc1	27020699	OHUGDAVFTZJFAC-GYHWCHFESA-N	416.571	6.311	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc([N+](=O)[O-])c1	33416556	ROWYNKJUYGOZAO-OYKKKHCWSA-N	416.462	5.026	50	40	HKGB	
O=[S@@](CCl)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1	83434004	HIDUYNJCJKSUNG-MUUNZHRXSA-N	411.889	5.249	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)[C@H](C)CC(C)(C)N2C	208211875	DCJXNAVUXZPDAI-LTKMBJGESA-N	407.945	5.916	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccccc1Cl	408599099	OTCMZYFJECNUJH-NDENLUEZSA-N	424.327	7.035	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc2ccccc2c1	408890739	YKFFQFXUKOZHRX-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc2ccccc2c1	409196296	YNLCGHUUOPMITJ-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1	409344458	GWNMCWHZYUFROR-WZUFQYTHSA-N	413.496	5.635	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCC(=O)Nc1ccc(C)cc1	409394364	ZKZAAEFEPKTBIU-NDENLUEZSA-N	416.452	5.224	50	40	HKGB	
CC(C)c1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)cc1	2758890	NRROCNGJKAFEMW-UTXMNRISSA-N	409.489	6.047	50	40	HKGB	
O=C(N/N=C/c1ccccc1Cl)c1cccc(N/N=C/c2ccccc2Cl)c1	4863553	ILBSPJIJIFIVGJ-GUJRAXHGSA-N	411.292	5.203	50	40	HKGB	
O=C(COc1ccc(C2CCCCC2)cc1)N/N=C/c1c(O)ccc2ccccc12	5518326	XNFWFLZEKAIUJK-WGOQTCKBSA-N	402.494	5.122	50	40	HKGB	
CSc1ccc([C@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	6454195	BWYGGVWFGVROSM-OAQYLSRUSA-N	416.571	5.834	50	40	HKGB	
Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N1C[C@@H](C(=O)Cl)CC1=O	45887791	RGUAXOQFDAYBQM-NSHDSACASA-N	423.683	5.228	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl)c1ccccc1	73747840	ZEXSTNNFDJFQNB-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
CCc1ccccc1[P+](Cc1ccccc1)(Cc1ccccc1)c1ccccc1CC	98174904	CBVXTPAWSDKTKY-UHFFFAOYSA-N	423.560	7.180	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)c([N+](=O)[O-])cc1OCc1ccccc1	107621056	QTVGYZNWUYHXMR-WQRHYEAKSA-N	404.397	5.386	50	40	HKGB	
O=C(CCCC[C@@H]1CCSS1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21	257198777	IBUFIYXHQCZETR-SALXWAHTSA-N	420.688	5.122	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)c1	408791942	FOLPRRFWNPVMDB-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	408814851	WIUCUOGBBJGFSC-CXDFQFJYSA-N	405.929	5.473	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1C	4562375	JRWUMAXNBMQSGY-BUVRLJJBSA-N	411.549	6.127	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1	4819067	PUGBARCNLHHHGR-FOWTUZBSSA-N	406.467	5.266	50	40	HKGB	
CC/C(=N\NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC(F)F)cc1	5786376	ZJIXYMUZTILKDS-NCELDCMTSA-N	404.457	5.029	50	40	HKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C/c3cccc(Br)c3)sc2c1	6279331	YXVUSRIQCHAKPG-AWQFTUOYSA-N	407.720	5.390	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12	9201217	JQZCPWCZXXTMDP-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
O=C(/C=C/c1ccc(OCc2ccccc2Cl)cc1)Oc1ccc([N+](=O)[O-])cc1	103592643	KYJKCFBHNYAPKY-VGOFMYFVSA-N	409.825	5.446	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1	408803663	RRWOVXMYUFSZBF-RSZPVBOMSA-N	403.913	5.532	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1	408878175	XLGUQECZEBUAJP-LDADJPATSA-N	408.835	5.755	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1cc2c(ccc3ccccc32)o1	2159617	VHYGILYBDIGXEE-VULFUBBASA-N	414.848	6.263	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)c1ccccc1	2969140	UVYWXYVCJRWPPP-GNFOSXPUSA-N	414.461	6.198	50	40	HKGB	
Cc1ccc2c3c1C(=C(C#N)C#N)C(=O)N3C(C)(C)C[C@]2(C)c1ccc(Cl)cc1	4702859	BRTFSCTXHYDERE-XMMPIXPASA-N	401.897	5.284	50	40	HKGB	
CSC1=C(C#N)C2(CCCCC2)[C@@H](c2nc(-c3ccc(C)cc3)cs2)C(N)=N1	5601255	DWCPWXFYGZPYPS-GOSISDBHSA-N	408.596	5.622	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Br)cc3)o2)cc1	6077602	MWNXCFDWFNENMK-VBKFSLOCSA-N	407.267	5.563	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Br)c1	6460753	VAVJOHHZZBATAJ-SDNWHVSQSA-N	422.307	6.134	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	9190495	BRYGQNPWVOJJCU-WKTMJKCCSA-N	410.517	6.036	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c(C)n1C1CCCCC1	15231253	KBVDHRPXZKYTTO-ATVHPVEESA-N	416.352	6.463	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccccc1Cl	408581991	KQXLUAORXSRBGU-KGENOOAVSA-N	419.908	6.390	50	40	HKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1cc(Cl)ccc1Cl	408691627	JESJGTGIQXWUFJ-YVLHZVERSA-N	421.331	6.358	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	408798675	WLSIAVJFCWTBIG-KGENOOAVSA-N	416.908	6.027	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408805357	AKJSAAUXKTXZPW-VDLQHFIISA-N	408.929	5.521	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)c3ccccc32)c1	408812535	NDEIHADHPGXNPK-UDWLIQMKSA-N	411.549	5.600	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(Cl)cc2)c1	408938360	QELUQMSNWQNOGO-MOSHPQCFSA-N	402.881	5.773	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)Nc3ccc(Cl)cc3)c2c1	693327	XKTVNCGLTADTFK-ZVHZXABRSA-N	411.889	5.446	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)cc2)cc1	4966331	ABXKQCWZICYILT-PXLXIMEGSA-N	410.473	5.377	50	40	HKGB	
N#C/C(=C\c1ccccc1I)Sc1nc2ccccc2s1	33655597	DVIVTHRWZQHUMD-FMIVXFBMSA-N	420.300	5.558	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc1Br	33786541	ZUEJQRRYMDZKCT-OMJMQIJPSA-N	400.272	5.389	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cccn2-c2ccc(Cl)cc2)cc1	59678817	ACYQLZJGBAGARZ-WGOQTCKBSA-N	416.912	5.302	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)cc(Br)c1OCC	408599134	PBNSEEZDSPNHPD-NVNXTCNLSA-N	406.707	5.964	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Br)cc1	408746171	XVBJZEVRZCMIEG-LGMDPLHJSA-N	419.278	5.787	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)c1	408878763	AUEJVULEVBIBGG-HAVVHWLPSA-N	420.487	6.424	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	409392518	PYXZUSLVACFGNY-ZTKZIYFRSA-N	422.528	5.911	50	40	HKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1c[nH]c2ccc(Br)cc12	3225837	MMCCJOUXERHVAD-RVDMUPIBSA-N	402.336	5.314	50	40	HKGB	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C1/C(=O)N(CCC(C)C)c2ccccc21	3228914	AJVQNIPZCVJWAI-XTQSDGFTSA-N	415.537	5.120	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc(-c2ccccc2Cl)o1	4150188	BFBRJEJYSUXCMD-LJQANCHMSA-N	414.852	5.208	50	40	HKGB	
N#C/C(=C\c1ccc(O)c(Br)c1)c1ncc(C(F)(F)F)cc1Cl	25890114	GDTNPZBKLQBZNW-YCRREMRBSA-N	403.585	5.286	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc(Cl)c1Cl	59117347	VDGCBGWHXIFBRK-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1F	59233040	FLFMYZIUZGUTQA-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(C)cc3C)cs2)cc1	100217718	FTTRBLHWTQWOSL-AQTBWJFISA-N	403.507	5.580	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccccc1Cl	408588862	KESRASDDGIKXCP-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)o1	408761636	AFWSKXCHMWMAIF-NBVRZTHBSA-N	423.428	5.862	50	40	HKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2ccc(Cl)cc2)cc(C(C)(C)C)c1O	408762495	BPPLRSYPNCQBLM-CVKSISIWSA-N	414.977	5.724	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408783498	LWLGFPJDWVTYBO-ZDLGFXPLSA-N	422.282	5.829	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1cc2cc(Cl)ccc2o1	409018849	XAAKJGWPVSRYKT-JJFYIABZSA-N	409.785	5.018	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)c1	409360373	FATFORKKMNIOQX-MIXAMLLLSA-N	422.528	5.728	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2Cl)c2ccccc12)C(=O)N1CCCC1	409369609	RDDRKKILUHDQAF-GZTJUZNOSA-N	407.876	5.011	50	40	HKGB	
N#C/C(C(=O)Nc1ccccc1)=C(/Nc1ccccc1)SCc1ccccc1F	3052547	QAFPTWDSUKUMIR-BSYVCWPDSA-N	403.482	5.545	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	5954371	BWQWGOLNDMOAQG-UYRXBGFRSA-N	404.554	6.095	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1c(OCc2cccc(C#N)c2)ccc2ccccc12	9202486	FNMRQUJSKBIGAF-STBIYBPSSA-N	419.484	5.363	50	40	HKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1cccc(Cl)c1	9281651	MIFJHPHIYHAUMN-OAQYLSRUSA-N	424.891	5.411	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1	39884518	CSRPUNXXSIZZMD-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2[C@H](C)CC1(C)C	208329573	LZFBKNPYOCIJAY-UEXNTNOUSA-N	421.972	6.306	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc(C)c(C)c3)c3ccccc32)cc1	408568755	WVRMBKDEHOGFND-LQKURTRISA-N	409.533	5.308	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1Br	408578989	CFUYDAZQGZYVJP-MDWZMJQESA-N	411.126	6.609	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3ccccc3c2)o1	408598797	JUMXUKPJYLZRTK-JVWAILMASA-N	420.472	5.358	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2c(C)cccc2C)c1C	408816017	SFAVVFSXVMYCGT-HYARGMPZSA-N	413.521	5.574	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Cl)cc1	408923783	JWKYEBUHHATKIB-GZTJUZNOSA-N	420.856	5.201	50	40	HKGB	
CC(=O)c1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccc(C)cc3)cs1)OCO2	2302696	LIYXMLQDPOUFLQ-MHWRWJLKSA-N	403.463	5.026	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccccc1Br	20760383	QSTOZJNRZYYAMS-YDZHTSKRSA-N	411.299	5.153	50	40	HKGB	
CC/C(=N/NC(=O)COc1cc(C)ccc1C(C)C)c1ccc(OC(F)F)cc1	34106399	ZJIXYMUZTILKDS-PLRJNAJWSA-N	404.457	5.029	50	40	HKGB	
N#C/C(=C/Nc1ccc(Cl)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1	100401609	BKCZMVVCASOCNX-KAMYIIQDSA-N	405.866	5.546	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2c1	408771006	DDIVBYYVKJCYTH-ZHZULCJRSA-N	414.505	5.800	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)c1	408798973	XNNXHHRTTSBYIQ-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)c1	408820505	WQRDBHBRADDXPG-SSZFMOIBSA-N	406.283	5.094	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc2ccccc2c1	408848635	RZBGBGPTVKCXEH-YUMHPJSZSA-N	407.473	5.757	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)c1C	408875708	GZONGXWERKJYFC-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(C)cc2OC)c1C	408959863	HDLPYIIGMULMBW-CVKSISIWSA-N	403.526	5.046	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1	409017215	LMWKPIDKKCJJQO-NHDPSOOVSA-N	422.362	6.362	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1	409175980	GTFFDQSJCLAKKE-CVKSISIWSA-N	402.881	5.754	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl	2768781	NGURXJWBCGCTMC-RBZFPXEDSA-N	411.288	5.202	50	40	HKGB	
COc1ccc(C(=O)N/N=C(/C)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	5455171	RIPHGPDLCJGTSR-XYGWBWBKSA-N	408.885	5.082	50	40	HKGB	
CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cc1	17270518	GCCVXWYMXKNNJH-HMMYKYKNSA-N	417.534	6.052	50	40	HKGB	
C=CCOc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473375	FYVYNKWKTIWYRO-YZSQISJMSA-N	416.546	5.449	50	40	HKGB	
CC(C)(OCc1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1	73371220	VZZKDGPXFKXDIR-UHFFFAOYSA-N	410.497	5.897	50	40	HKGB	
C[C@H]([c-]1cccc1P(C(C)(C)C)C(C)(C)C)P(c1ccccc1)c1ccccc1	206530436	ADRPYIBXATYKPJ-OAQYLSRUSA-N	421.525	7.304	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1C	408569247	ZTAYKSKZNBFHNB-YDZHTSKRSA-N	411.299	5.019	50	40	HKGB	
O=C(N/N=C/c1cccs1)c1ccc2c(c1)CN(c1cccc(C(F)(F)F)c1)C2	408726242	ATFGXTMAKOGOGG-OPEKNORGSA-N	415.440	5.051	50	40	HKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c(-c3ccccc3)[nH]c12	408839265	PRNSTFAKTUYHHC-XDJHFCHBSA-N	407.473	5.698	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1F	408870894	WAUQTSDHFRDDKK-WOJGMQOQSA-N	408.835	5.755	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408888833	BNUCSTLKXGWDGE-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)cc1	409042676	OBEVOQVWQBVKDC-OVCLIPMQSA-N	419.308	5.582	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1cccc(Cl)c1Cl	409196098	SVHVCFDTGAAROJ-SSDVNMTOSA-N	406.338	5.155	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCCCc2ccccc2)c(C)n1-c1ccccc1Cl	409240837	IKMMCCYAMPTUGG-JWGURIENSA-N	417.940	5.404	50	40	HKGB	
CCc1ccc2[nH]c(C(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)cc2c1	3147038	QYMRFEHUOCMDRT-LQKURTRISA-N	420.516	5.497	50	40	HKGB	
Cc1sc2nc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)[nH]c(=O)c2c1C	6566861	YRHZCFBSWWPFSX-XDHOZWIPSA-N	413.502	5.245	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3c(C)ccc(C)c3C)o2)cc1Cl	12859360	GOFKRVBZOVNQRI-BRJLIKDPSA-N	410.901	5.363	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	33416637	LUYGDVXSHALHAU-QGOAFFKASA-N	400.316	6.091	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1	59116689	MPULKBRHHYWLEY-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	59335635	RUOFUIXLFRFTHI-ULJHMMPZSA-N	408.501	5.848	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)c1	252486893	HQBIXDMOBVSDCO-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccccc2Cl)c2ccccc2n1Cc1ccc(F)cc1	408585808	IWIIBORRTASVEG-MZJWZYIUSA-N	419.887	5.554	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1C	408799798	LHPMFEGSIPRVKF-SDLXJUDFSA-N	417.940	5.840	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(F)cc1	408857953	QQEAKCQILRQZSR-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2cccc(F)c2)c1	408887550	ROJDMGOTVPBAJK-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1ccc(Cl)cc1Cl	409011332	HEDRQBVIWOXZFH-LCYFTJDESA-N	418.121	6.611	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	409049831	XWVKVKPLKQGGOZ-XNTDXEJSSA-N	417.292	5.503	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)c1ccc(Br)cc1	408578992	CGGKGGPJYOCMFS-CPNJWEJPSA-N	408.270	6.231	50	40	HKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2n1Cc1ccccc1	408730476	RFMXVUXANDQJIC-GHRIWEEISA-N	404.300	6.456	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1cccc(Cl)c1	408766051	YXKZWIYHIJNPIX-WQRHYEAKSA-N	400.831	6.831	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc(Br)c2)o1)c1cc2ccccc2o1	408813189	PZGFSCURFQKCSW-UUYOSTAYSA-N	409.239	5.219	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cc(C)cc(C)c2)cc1	408895585	LKTQMUOKPHMUOZ-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	408899504	PXEHCKZEVFGKLF-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408985966	YXNNVIPHMQUJKB-DHDCSXOGSA-N	417.292	5.421	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)CNc3cccc4ccccc34)c2)cc1	409392754	RRDATDZRLJIPRF-STBIYBPSSA-N	423.516	5.289	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(NC(=O)c2cccs2)c1	655128	GUYLUJYZHWSTGU-WGOQTCKBSA-N	419.550	5.452	50	40	HKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1c2ccccc2cc2ccccc12	2056135	CUUBXPBIMUGGPA-VULFUBBASA-N	418.949	6.030	50	40	HKGB	
O=c1oc2ccc3ccccc3c2cc1-c1nc(CCCBr)cs1	6846947	ZHNGEOPYLUENJY-UHFFFAOYSA-N	400.297	5.397	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@H](Br)C2=O	8384930	UDOMTLSWGZGSJW-JLZZUVOBSA-N	419.146	5.091	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	13810389	NOFYTBIGPPDSPX-LFIBNONCSA-N	420.852	5.406	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1	98001603	NJKJAKMRNMOJME-SZXQPVLSSA-N	423.601	6.036	50	40	HKGB	
S=c1sc2c(s1)S[C@H]1[C@H](Br)[C@H](Br)C[C@H]1S2	101463577	WLRYZLICTXBSLV-TXICZTDVSA-N	422.279	5.405	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(Br)c(Br)o3)[nH]c2c1	408951610	JGVJGQJOTJCGQC-UITAMQMPSA-N	407.065	5.054	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409041591	WIULBLUYGMJAOG-GWVNWDGKSA-N	423.516	5.843	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1ccc(Cl)cc1	4503841	BUJIKRCVIRGGMN-NBVRZTHBSA-N	402.837	5.105	50	40	HKGB	
CC(C)c1ccc(-c2cc(C(=O)N/N=C/[C@H](C)c3ccccc3)c3ccccc3n2)cc1	5727526	BXNXQSXBLVMQEL-MJDZGMBVSA-N	421.544	6.545	50	40	HKGB	
CCc1cccc(CC)c1NC(=S)N/C=C(\C#N)C(=O)c1ccc2ccccc2c1	5734177	AAXLQTIFLMPSNI-CJLVFECKSA-N	413.546	5.541	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1	13800940	LIJOHMBPBGBRKR-HAHDFKILSA-N	421.500	5.802	50	40	HKGB	
N#C/C(=C\c1c(Cl)cccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	16399987	NRWUSEZBQDEXGE-XYOKQWHBSA-N	402.262	6.089	50	40	HKGB	
C/C(=N\NC(=O)[C@H](C)Sc1ccc(Cl)cc1)c1ccc(Br)cc1	59474278	MOHFJQYTJBQQEU-DQAKUKQTSA-N	411.752	5.124	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(OCc2ccc(C)cc2)cc1	100374036	XUEXSJPWTUADEH-UUYOSTAYSA-N	418.500	5.583	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1cccc(Br)c1	408744630	ZBACZTGHZPAIFL-PDGQHHTCSA-N	420.310	5.402	50	40	HKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2c1	408793712	GIOHLLDMLFPZTF-LFIBNONCSA-N	406.869	5.365	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc(C(F)(F)F)cc1	408847994	OUTOACCALZQYHD-MOSHPQCFSA-N	423.390	6.047	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408867049	INPDDDXEQJMQNC-WOJGMQOQSA-N	408.835	5.755	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1cccc2ccccc12	409013049	MBFALBXTLSVFLK-TURZUDJPSA-N	410.517	5.865	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	4705386	MAIVRBDASUNMTI-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccc(O)cc1	4739810	KEEJDOVROQQRFH-ACCUITESSA-N	412.923	5.804	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	15013338	LCRVRMMZXRGTSK-ZMOGYAJESA-N	400.309	5.094	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)cc1	59335160	LULOSSGMHIJYTQ-JCMHNJIXSA-N	405.501	5.852	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	408586983	DJBGXOKZAFFOEL-ZMOGYAJESA-N	400.309	5.094	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1Cl	408802035	YFBYTTFEPXOSGK-MNOULKQQSA-N	417.940	5.840	50	40	HKGB	
CCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408869742	QUHCZSDGHBXEED-NTEUORMPSA-N	408.807	5.693	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2cccc(C)c2)c1	408870314	VWPDRCGAWWRVJC-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1c(C)cccc1Cl	408886232	FSSDDCYKSMZYAY-NTEUORMPSA-N	419.706	5.355	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2)o1)c1ccc(Br)cc1	409328211	ZYAYJWJHISRQNM-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)cc(I)c1OCC	409365671	RJJORUSYNBNAQX-YBEGLDIGSA-N	419.262	5.153	50	40	HKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	3089304	QEVXGCIXVHABSM-PTFSYIGCSA-N	404.535	5.038	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br	6678243	KWHWTPILINLVDO-WPBJZHHJSA-N	401.260	5.599	50	40	HKGB	
CC/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc(Cl)c1	13524906	MUULSPLGYMWGCU-LGUFXXKBSA-N	419.937	6.161	50	40	HKGB	
Clc1cccc([C@@H](c2ccc(I)cc2)C(Cl)Cl)c1	100352104	AGDVNCQNAITBNZ-CYBMUJFWSA-N	411.497	5.880	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\C=C/c1ccccc1	104164709	BUUOKQUXEQOYOS-HCELAJOTSA-N	412.662	8.063	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=N\NC(=O)c2cc3ccccc3o2)c1C	408854862	KEDIMWRRBRFHAD-MXAYSNPKSA-N	405.885	5.566	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc2ccccc2c1	408887915	UVOOKRHGCIYMAP-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	408891595	AGRPJDKEBBNGFA-JLHYYAGUSA-N	423.812	5.062	50	40	HKGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)Cc2cccc(C(F)(F)F)c2)cc1Cl	409011676	IBCFEFURDVLABG-ZMFRSBBQSA-N	419.834	5.151	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1	409394133	WEDAEJSAPFQWIV-JAIQZWGSSA-N	407.872	6.521	50	40	HKGB	
CCc1ccccc1NC(=O)[C@H](Br)[C@H](Br)c1ccccc1	1801168	HHRGOUXDRDTFTC-HZPDHXFCSA-N	411.137	5.087	50	40	HKGB	
O=C1c2ccccc2SC[C@]1(Br)[C@H](Br)c1ccccc1	3138105	IHBUJLFYGZHNCO-ZBFHGGJFSA-N	412.146	5.245	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccccc2)cs1	6196251	BDWCZAZOANHUCC-JLHYYAGUSA-N	405.832	6.459	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)o1	6627937	WCMHDOSUZFDHJE-YBEGLDIGSA-N	409.825	5.283	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1cccc2ccccc12	8722706	HIQNBOGKGNIEQE-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1	9360470	TVRAUKRJXTXFMH-QFIPXVFZSA-N	422.488	5.237	50	40	HKGB	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(-c2nc3ccccc3s2)o1	57351480	JPPDHVCYXLYCLE-UHFFFAOYSA-N	403.385	5.332	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc3ccccc23)cc1	408581104	UOGZRBGUMPUEMA-BUVRLJJBSA-N	409.916	7.445	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1-c1ccccc1	408742426	OXFUAPKGOMUHNQ-QGOAFFKASA-N	420.310	5.402	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408794626	JWUIQLXTVYCTMJ-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)cc2)c1	408882236	QMPZKPYXIRYJCL-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	3116129	VGRQUBUASLGFIN-RWPZCVJISA-N	422.406	5.811	50	40	HKGB	
C[C@H](Nc1cccc(Cl)c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	5919259	OZYJRDBIZZJJSB-WBILBPDKSA-N	401.897	5.597	50	40	HKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(Oc2ccccc2)cc1	20243969	GFDISADPUZCMFT-ZVHZXABRSA-N	410.926	5.516	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1ccccc1Cl	58823282	FNXLABFOBZZOIQ-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)cc1	252478512	AOQFQTWRWIHBJI-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
CN(C)c1ccc(/C=C(/C#N)c2ccc(Br)cc2)cc1Br	408530127	LFWSPLOGVGCSIH-ZROIWOOFSA-N	406.121	5.342	50	40	HKGB	
O=C(CSCc1ccc2ccccc2c1)N/N=C/c1ccc(Cl)cc1Cl	408725415	FYZSAKWLADSTJL-FOKLQQMPSA-N	403.334	5.530	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)c1	408735654	VSPOHRKURMKICK-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)c1	408869427	PHGVSTASJLPDOA-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
CCn1c(C)c(/C=N/NC(=O)CSc2cccc3ccccc23)c2cccc(C)c21	409030316	FINITSKUJXOJDI-CVKSISIWSA-N	415.562	5.674	50	40	HKGB	
Cc1cc2c(cc1C)CN(CC(=O)N/N=C/c1c3ccccc3cc3ccccc13)C2	409204966	DRWKHGGESBIOQX-CCVNUDIWSA-N	407.517	5.076	50	40	HKGB	
COc1cccc(-c2cc(C(=O)N/N=C/C=C/c3ccccc3)c3ccccc3n2)c1	2843599	VTLTVGHFCVBANH-JOARMNLUSA-N	407.473	5.339	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1	2888770	QXCMTUQJGWOKHW-SFQUDFHCSA-N	423.925	5.716	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c(C)n1-c1ccccn1	4682582	NJJLMHYMJGZRGB-YBEGLDIGSA-N	411.292	5.342	50	40	HKGB	
CN(c1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc2ccccc2s1)C1CCCCC1	13071044	LMCGVOSBANBANA-GHRIWEEISA-N	418.522	6.038	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1C	408567504	OACOIBQRTOOFTL-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)c1ccc(Br)cc1	408579917	LJTDEJOOCDMXGS-XDHOZWIPSA-N	424.725	6.746	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c3ccccc32)cc1	408811950	AVKSOVNFEHFKIC-ZHZULCJRSA-N	409.464	5.683	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1cc(C)cc(C)c1	408870973	WJVZLFFIEDSTMH-MFKUBSTISA-N	424.544	6.147	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(OC)c1OCCC	409072325	NAPQISCXZSITBW-KGENOOAVSA-N	404.510	5.375	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1C(C)C	409218603	WCPOGUYQLBXXLZ-FSJBWODESA-N	404.963	5.413	50	40	HKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2Cl)cs1	4808033	SMCQWXRPOCFCSB-YBEGLDIGSA-N	407.325	7.334	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	4922911	MJPFQJSJYXUGEG-IBGZPJMESA-N	409.942	5.122	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl	9311042	QKXPTOGMPNTDDA-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
COC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccs1	19597270	UCIVQUFFODOHGU-GOSISDBHSA-N	416.955	5.204	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c(C)c1	20195303	XRASBXAMMSBUOU-RDRPBHBLSA-N	422.528	5.728	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2cccc(Br)c2)cs1	90427199	NMYYPLIRANCIER-FMIVXFBMSA-N	418.266	5.827	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)nn2-c2cccc(C)c2)cc1	408724029	CPGMQYJPEMIWBW-JVWAILMASA-N	412.468	5.059	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(Cl)c1OCc1ccc(C)cc1	408773017	OPYMMMSJNIQTPP-GRSHGNNSSA-N	412.917	5.058	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	408811495	LKWQZRUACFDVFG-MDWZMJQESA-N	409.700	5.981	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1)Nc1cccc(Cl)c1	409021667	SFRBCYOUKHJACW-NHDPSOOVSA-N	422.362	6.362	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)cc1	409063464	LHYOIZUAAHEDCM-LFVJCYFKSA-N	405.454	5.059	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1	409384769	FFHCIJSFASDPBN-MOSHPQCFSA-N	405.885	5.015	50	40	HKGB	
Cc1cc(C)c(C(=O)[C@H](Br)[C@H](Br)c2ccccc2)c(C)c1	1593887	NQIDOKJBMUNLID-IAGOWNOFSA-N	410.149	5.694	50	40	HKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1cccc(Oc2ccccc2)c1	5485093	KJKQMHCOBFJYPC-ZVHZXABRSA-N	410.926	5.516	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(F)cc1	8812296	IMNOWPWEZYEUMY-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
Br/C=C(/C(Br)Br)C12CC3CC(CC(C3)C1)C2	101051259	KWXYNJLTOZCMIQ-XFFZJAGNSA-N	412.991	5.598	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1OC	107867489	SYQBDCSQWIAHSG-GRRFOWRYSA-N	419.308	5.725	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(C(=O)OCC)cc1	408890760	YSEXNFPRYKDUHI-HEHNFIMWSA-N	420.509	5.368	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1Cl	409050868	BRAQKOXKILMGPC-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)o2)cc1Br	409368978	VWUVVOVUUVDUEQ-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(O)c(OC)c2)C2=C(O)CCCC2=N1	2276578	DFROKMBCHWICIZ-OAQYLSRUSA-N	412.555	5.984	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3)n2)cc1C	2283689	WIKJMSUQGLPQPN-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccccc3Br)c2)cc1	20760403	YJIJFTFPVHELQH-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)cc1	33408870	KECJBAYLWWFALP-DEDYPNTBSA-N	417.559	6.369	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1ccccc1Cl	408603521	RLKPPVJLZRBNCF-UKTHLTGXSA-N	401.224	5.938	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c2ccccc12	408735435	RUYYTRIYDDMKGF-XDJHFCHBSA-N	418.924	6.526	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1cccc(F)c1	408871768	ZWDZGBFIVBFRMM-HYARGMPZSA-N	414.480	5.669	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1Cc1cc(C)cc(C)c1	408876877	RLNWCRAQKSTPQI-BUVRLJJBSA-N	410.517	5.839	50	40	HKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1OCc1ccccc1	408894650	KAORKUAIHSXYKP-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C#N)c2ccccc2)c(C)n1-c1ccc2ccccc2c1	409206368	NLVSJEOJCYJSKO-ISAGNRBTSA-N	406.489	5.005	50	40	HKGB	
O=C(CCCCBr)c1ccc(N(c2ccccc2)c2ccccc2)cc1	575358788	DZWDUWDVYYQZQM-UHFFFAOYSA-N	408.339	6.904	50	40	HKGB	
Cc1cc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1	898837	SDOBLPQLTBEZII-OAQYLSRUSA-N	411.892	5.876	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)cc1	954209	YMNRTYYYNWAJTC-VXLYETTFSA-N	421.953	6.056	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc1	2359093	WDFDPLLERNXRKT-JOCHJYFZSA-N	420.965	6.011	50	40	HKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3339252	KNLGNHMQYSKZKT-YRNVUSSQSA-N	416.733	5.506	50	40	HKGB	
Cc1cc(Cl)nc(N/C=C(\C#N)C(=O)c2cccc(CSc3ccccc3)c2)n1	4286637	MKZZPSJRLRLLIE-QGOAFFKASA-N	420.925	5.433	50	40	HKGB	
Cc1ccccc1[C@@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N	4922572	HEALSRDUNYPXIP-KRWDZBQOSA-N	409.942	5.176	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)c1cccc(Br)c1	9355347	LDWVPTCLBXFLMK-LSHDLFTRSA-N	421.653	5.266	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1	13546385	YTYUIWCXFAVAPN-WQRHYEAKSA-N	422.282	5.829	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	13810139	MHCYZTJKJVOCGR-BOPFTXTBSA-N	410.304	5.947	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1O)c1ccc2c(c1)Nc1ccccc1S2	17088371	IXYDYVLCGDWADQ-WYMPLXKRSA-N	409.898	5.408	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	39884585	JSJJKHDOYQXWQT-UKTHLTGXSA-N	417.679	6.452	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl	59445187	VHWUHOLVORFQNP-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
COc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Cl)c(Cl)c1	107678654	RDVVZONZZCVVRY-NSCUHMNNSA-N	413.098	5.880	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2s1	107736453	TZLYRRQDFDBXGL-GHRIWEEISA-N	402.544	6.893	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OC	408538754	QFLZLFKORLHDOH-CAPFRKAQSA-N	424.516	6.119	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc(Br)c1O	408581678	YTZJZVZWFIEBCY-VZUCSPMQSA-N	413.098	5.924	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)c3ccccc32)cc1	408792846	COTSEVRSBMCSPE-HZHRSRAPSA-N	419.528	6.161	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccccc2C#N)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409236398	FUEQVNZIWPOTFM-GDNBJRDFSA-N	407.351	5.383	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2)c(Cl)c1)c1cccc(F)c1	409394296	YFKXAHLNZRQWMY-WQRHYEAKSA-N	406.844	5.561	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccccc1	948040	SPHUQTSCWMUYIU-HYARGMPZSA-N	409.894	5.257	50	40	HKGB	
CCCCCc1ccc(OCC(=O)N/N=C/c2c3ccccc3cc3ccccc23)cc1	3174567	NJEBDMYEUISERL-VUTHCHCSSA-N	424.544	6.255	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	4719802	IIBUWZNCIKUHBQ-NQQNOTTHSA-N	400.522	5.400	50	40	HKGB	
Cn1c(SCC(=O)N/N=C\c2c3ccccc3cc3ccccc23)nc2ccccc21	9008832	JCASCQUADUVXHI-YSMPRRRNSA-N	424.529	5.122	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1C	14134561	VMIRJGZLRWHHNF-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(OC)c1	33676726	AKOBHFVUMITBMX-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N\c1cccc(Cl)c1	104091876	GCTMYFJEXLGDKX-QRVIBDJDSA-N	415.748	5.392	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1ccccc1Cl	408875300	JBBARWWKZJDFFG-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1	409232209	OXWXLKUEXHPQFC-WIZMWCRPSA-N	408.910	5.869	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Br)c1OC(C)C	409393620	RKSPFIZWCVEZJJ-PXNMLYILSA-N	404.279	5.838	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1ncc(Cc2ccccc2)s1	954181	XZMWPMNYWVBWQK-OQLLNIDSSA-N	414.317	5.586	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc(C)c1C	1453439	NUNHKEAUGPKJSC-LDADJPATSA-N	404.491	5.241	50	40	HKGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl	1453911	DWDQCQLWMGLXRL-BJMVGYQFSA-N	412.070	5.007	50	40	HKGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	1454147	LIBQZAHNMFIFDG-XYOKQWHBSA-N	420.346	5.648	50	40	HKGB	
CCOC(=O)c1ccc(/N=C/c2ccc(N(CCCl)CCCl)cc2C)cc1	1561807	RBRVWJNSOJZSOA-BUVRLJJBSA-N	407.341	5.206	50	40	HKGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(COc2ccc3ccccc3c2)cc1	2632423	BPZUBDVFRNGFCD-MFKUBSTISA-N	400.503	5.553	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(CC(C)C)cc2)n[nH]1)c1ccc2ccccc2c1	4980222	XKYBOUNQTDVPEW-IMRQLAEWSA-N	410.521	5.582	50	40	HKGB	
CC1=C(/C=C/C(C)=C\C=C/C(C)=C\C=C/C=C(C)/C=C\C=C(/C)C=O)C(C)(C)CCC1	8655460	DFMMVLFMMAQXHZ-ADURYZFNSA-N	416.649	8.722	50	40	HKGB	
Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c1	11853097	SJAGALWMMNBRIG-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3[N+](=O)[O-])n2)cc1	17113312	LDHKLYJBIBEZIZ-QGOAFFKASA-N	404.495	5.893	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)cc1C	59233007	OTXXXRIZRYRMSM-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
N#C/C(=C/c1ccccc1C(F)(F)F)S(=O)(=O)c1cc(Cl)ccc1Cl	71795538	PMCZKMCHJZUWIE-GHXNOFRVSA-N	406.212	5.351	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	103525013	LHVAJZMYZDQMQT-FBVYSKEZSA-N	407.126	8.715	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C	408570320	UCEZUVKRFCDWTQ-MFOYZWKCSA-N	404.876	6.136	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1	408581012	FZSKCKZFKBYQNC-YBFXNURJSA-N	410.300	6.645	50	40	HKGB	
Cc1ccc2nc(Cl)c(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)cc2c1	408728530	OFXHTGAEBUDKEM-HKNSOBRKSA-N	418.349	5.481	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1cccc(Cl)c1	408735305	QCVZAEXPCCVOKX-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc(Cl)c1	408794743	SROWBCYXEJZXMF-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408796057	DBERUEZCFZJQCB-ISPQVQRCSA-N	403.309	5.855	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408804868	ZUJQWNDMNDTRFE-FOWTUZBSSA-N	421.283	5.704	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(OCc2ccccc2F)c1	408883762	WKNXXXCNTGAMAF-LDADJPATSA-N	420.415	5.098	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2OC)c1C	408959761	FIUQDMMOQMLEBL-MYYYXRDXSA-N	404.514	5.129	50	40	HKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(C(C)C)cc2)sc2c1CC[C@@H](C)C2	948295	MJKDIXUACCUMQI-GYZOOYGHSA-N	422.550	5.329	50	40	HKGB	
O=C(COc1cc(Cl)c(Cl)cc1Cl)N/N=C/c1cccc2ccccc12	3087575	WQOPCLJCVFXSKU-AUEPDCJTSA-N	407.684	5.329	50	40	HKGB	
Cc1ccccc1C(=O)NNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	8315351	RSZGNKVDBMTUDK-UHFFFAOYSA-N	410.926	5.016	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(-c2ccccc2)cc1	31723495	VRBIEAXXLIBHTF-HNXTVNFMSA-N	418.500	5.688	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1	38203679	CFNSHSMOIXVHKW-NTUHNPAUSA-N	417.317	6.198	50	40	HKGB	
C/C(=N\NC(=O)c1ccccc1O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1)N2	58917643	DQQXHZDJLUYEPX-NIPYUUSLSA-N	423.516	5.373	50	40	HKGB	
COc1ccccc1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	59473543	AWFSYZAXGMDTMG-ZVHZXABRSA-N	410.926	5.405	50	40	HKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)c1	59474304	VAFYFLOFFLODSU-YZSQISJMSA-N	416.546	5.449	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)[nH]c2cc1C	107871396	SQUGBOGRUQDOMA-VCHYOVAHSA-N	412.449	6.029	50	40	HKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(C(=O)[C@H](Cl)C(=O)C(F)(F)F)cc1Cl	197254141	VGYSINCEOMVZRL-LBPRGKRZSA-N	415.311	5.646	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3cc(Cl)ccc3o1)[C@@H](C)CC(C)(C)N2C	208209869	QDZYRKQLCZBYPV-WEPAEKJRSA-N	423.944	5.881	50	40	HKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccc(-c3csc(C)n3)cc2)cc1OC	408535461	ZBAWLAQELXKLBK-OYKKKHCWSA-N	423.538	5.070	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl	408599154	PKBWNLGQYRIJAD-YVLHZVERSA-N	401.724	7.119	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(N2CCCC2)cc1	408677077	OXTFLUBKPOFNAY-MTDXEUNCSA-N	422.532	5.054	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)Cn1cnc2ccccc21	408691591	HDRBULROOFRTQM-ZROIWOOFSA-N	404.813	5.465	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c1C	408789322	JALMOXWTGOTIGW-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1C	409002379	UENHSSBWECVNBZ-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl	409245840	ZSLMXPIVEMWHOV-ROTLSHHCSA-N	418.299	5.233	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(Cl)cc1	409351781	WRGAUPFKPFMQQK-UYRXBGFRSA-N	403.312	7.061	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1Cl	940875	YGEPORHNSDWDDY-XMHGGMMESA-N	411.892	5.889	50	40	HKGB	
CC(C)OC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4s3)o2)cc1	4857941	BUKJYUMATJEGFW-QGOAFFKASA-N	414.486	6.186	50	40	HKGB	
O=C(/C=C(/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	104135516	GPACTMPLAYQYJG-MEFGMAGPSA-N	408.437	5.925	50	40	HKGB	
CCOc1cc(C(=O)Cl)cc(Br)c1OCc1ccc(Cl)cc1	217708909	HJQLMMQDSYZSNI-UHFFFAOYSA-N	404.087	5.459	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C	223532482	CEBXXDOQRQSNGG-JJBLJPBOSA-N	409.371	6.625	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408599272	RMLOYDIACPDPHK-KGENOOAVSA-N	420.541	6.531	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	408781473	SPNBPJVOEDAWRH-QINSGFPZSA-N	400.463	5.161	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(Cl)c1	408871781	XGZRUPIHTQKYBF-KGENOOAVSA-N	416.908	6.027	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408875817	LGYBSEFEFAISKK-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2cccc(Cl)c2)c1C	408960612	NFLKPNMGWCCINO-WGARJPEWSA-N	423.944	5.147	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Cl)c3)o2)c(Br)c1	409244616	GGIRFDZLDCIWPD-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
COc1ccc2ccccc2c1-c1cc(C(=O)N/N=C(/C)c2ccc(Cl)cc2)[nH]n1	4981179	BUDGYVXOEDBEHA-QFEZKATASA-N	418.884	5.046	50	40	HKGB	
COc1ccc(NC(=O)C(=O)NN=C2CCCCCCCCCCC2)cc1Cl	5918062	NVLHXDAXGGAHFJ-UHFFFAOYSA-N	407.942	5.064	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)cc1OC	6168447	MGRYXMCICBZQDM-PMFHANACSA-N	412.917	5.688	50	40	HKGB	
CSc1ccc([C@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1	6454200	PAKJUZBVAPTJQI-MRXNPFEDSA-N	400.956	5.334	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc(Cl)c2)cc1	20197243	RYGMPMHKFLPKHF-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)Sc3nc4ccccc4s3)c2)cc1	33594012	FUZWXAWHRLXJFO-KGENOOAVSA-N	414.555	6.841	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)c(OC)c1	59266543	ROBXFSMHMLIJKB-PXLXIMEGSA-N	412.489	5.382	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c1	59433002	LTGYIYQNIIKXIH-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI	97949385	CHTNKOVIYUCLTB-UHFFFAOYSA-N	420.028	5.008	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc2C(C)=CC1(C)C	208507617	VNZFPIVWIGGBIW-DHRITJCHSA-N	416.352	5.779	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Br)cc2)cc(Cl)c1OCC	408579412	HBZXJCMPNWDBNO-OQLLNIDSSA-N	406.707	5.964	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Cl)c(Cl)c1	408585433	DOSJEKCIRIMNPK-JAIQZWGSSA-N	405.284	6.508	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1ccc(C)cc1	408787875	AKUXZAJNNIVEKT-UCQKPKSFSA-N	418.537	5.133	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1C	1106091	MLCNHDCIEBCPAB-FOWTUZBSSA-N	414.490	5.470	50	40	HKGB	
C=CCOc1cc(Br)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	2848570	XKDXMFHMDYHKEA-OQLLNIDSSA-N	404.691	5.740	50	40	HKGB	
Cc1cccn2c(/C=C(\C#N)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc12	4025048	UUAAGMISKWQEFU-QGOAFFKASA-N	404.300	6.681	50	40	HKGB	
CCc1cc(C)cc(OCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)c1	4512576	JXHFMLVKECSUJJ-NLRVBDNBSA-N	417.509	5.171	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)c1cccc2ccccc12	6496610	BNRYUEQKWVHFHZ-JXAWBTAJSA-N	400.275	6.926	50	40	HKGB	
N#CC(C#N)=C(Nc1cccc(C(F)(F)F)c1)SCc1ccc(C(=O)O)cc1	6896287	CGUMTZLEERNXOK-UHFFFAOYSA-N	403.385	5.008	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(Cl)cc1)c1ccc2c(c1)Nc1ccccc1S2	13016904	HOFLJYFTARBIDY-AFUMVMLFSA-N	423.925	5.467	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)c2c(c1)C[C@H](C)O2	98055605	CCPKSJDBDRUYHP-MUKINBEESA-N	408.807	5.540	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccccc1F	408582353	NBUTVLYWZVCYDH-KGENOOAVSA-N	403.453	5.876	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1ccc(Cl)cc1	408602471	OINIFOUZQIPIJW-LCYFTJDESA-N	401.224	5.938	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc(Cl)c1OC(C)C	408797195	BTEFUHQYFYXRKA-VCHYOVAHSA-N	412.917	5.688	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccc(F)cc1	408799247	GXAPPJWVMPKBQE-VDCHDYNVSA-N	422.500	5.015	50	40	HKGB	
Cc1ccccc1OCC(=O)N/N=C/c1ccc(OCc2ccc3ccccc3c2)cc1	408878433	ARVSACPVKKURAL-OGLMXYFKSA-N	424.500	5.256	50	40	HKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccc(F)cc3)o2)ccc1Br	408903905	BBXLEPUIQFFLGB-JJFYIABZSA-N	416.250	5.312	50	40	HKGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1ccc(Cl)cc1Cl	408962630	IPBRVJYQWDVLTH-YHYXMXQVSA-N	416.045	5.368	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)cc1Cl	408983033	JTOPZBAFFPRVCO-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
COc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1	409177576	CFJNMUAHJJPKER-CVKSISIWSA-N	418.880	5.455	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4F)c3C)cc2c1	409187618	SMZXYPVKMANGJC-WGARJPEWSA-N	419.456	5.142	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409216855	OZRIBBDJFYOIGZ-UYRXBGFRSA-N	424.416	5.570	50	40	HKGB	
CCCCCCc1cc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)c2ccccc2n1	1595125	NGLNHCFJJHDJKK-LFVJCYFKSA-N	404.470	5.030	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	3231319	IUJRGQXQQFMMPZ-OQLLNIDSSA-N	404.691	5.740	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1	4710861	ZJBRLWINJOHOEX-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
CC(C)c1ccc([C@@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	9693339	ARLGFYPUHUYEDM-FQEVSTJZSA-N	423.969	5.683	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(F)cc(Br)cc2s1	20132957	BWBCPSPUGJNRJS-QMMMGPOBSA-N	424.133	5.090	50	40	HKGB	
Cc1cccc(C)c1NC(=O)[C@H](C)SS[C@@H](C)C(=O)Nc1c(C)cccc1C	58005391	JFYZNBLYDQAWLX-ROUUACIJSA-N	416.612	5.656	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)c(C)c1	59201759	WYTDJCZLKLDDSD-FYJGNVAPSA-N	400.453	5.567	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C)[C@H](C)CC(C)(C)N2C	208233323	ZXHIWUGTROARFF-VXIUPONVSA-N	421.972	6.225	50	40	HKGB	
CCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408530744	KGAZMWKONHJDQK-XNTDXEJSSA-N	422.834	6.083	50	40	HKGB	
N#C/C(=C\c1cn(Cc2c(F)cccc2Cl)c2ccccc12)C(=O)N1CCCC1	409369126	DBAHQCNKWKSFML-FOWTUZBSSA-N	407.876	5.011	50	40	HKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	3148867	LASDYPAMDHHWMC-FTGODIDHSA-N	412.533	5.322	50	40	HKGB	
C=CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)OCC)=C(c2ccccc2)N1	20348240	NCCZVLJCSBHVTE-GOSISDBHSA-N	408.548	5.064	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1	33579688	NYBKFQZAHCQFGA-YZSQISJMSA-N	418.496	6.524	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(Cl)cc1	59116904	BGSUGVMMYJPVRL-WQRHYEAKSA-N	423.299	6.118	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(Cl)cc3)c2)cc1	59296930	HUCMHCFNINOHPZ-STZFKDTASA-N	416.908	6.027	50	40	HKGB	
N#CC1=C(SCC(=O)Nc2ccc(F)cc2)N=C2CCCC(O)=C2[C@@H]1c1ccco1	100706473	QLXWYRLDYYQFNJ-FQEVSTJZSA-N	423.469	5.060	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	408869407	CZKZUSZULQAZAJ-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Cc2cccc(F)c2)c1	408877254	UNQFSSYPVVGOIR-CPNJWEJPSA-N	404.416	5.110	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccccc2F)c1	408883201	RWSGQEMTFBYELI-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408926188	VVLZLUKRVBMPEB-LDADJPATSA-N	424.331	6.255	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccccc2)c(C)n1-c1ccccc1Br	408996355	HSOYPIHQXSEKGH-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
Cc1ccc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc12	900739	PPRMINOADWTAHM-IBGZPJMESA-N	412.880	5.271	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)NCCc1ccccc1	1102919	MCQXEQRFRKOEDK-SFQUDFHCSA-N	411.288	5.519	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(C#N)cc1	5416364	VNOSHGFKLPZJEI-WPWMEQJKSA-N	417.896	5.253	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)c(C)n1CC(C)C	12528908	DNWXVQPJCPURPM-YFEUJDIGSA-N	420.582	5.248	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	59116796	VIQDJMFDSVLJRA-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	59117576	IPLRZMVUJOYOFL-WJDWOHSUSA-N	409.272	6.331	50	40	HKGB	
Cc1ccc([C@@H](Br)[C@H](Br)C(=O)c2ccc(Cl)cc2)cc1	101673933	XXMVXJKXJBKZRP-CABCVRRESA-N	416.540	5.731	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)o2)c([N+](=O)[O-])cc1C	252485648	HBAVAFVNMVAQRW-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)cc1	408783655	ODJXIXNTKXTMMN-WPWMEQJKSA-N	410.521	5.266	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(OCC)c(OCC)cc2Cl)cc1	408797337	RIPLTJNVQWWCMX-LFIBNONCSA-N	414.889	5.082	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1c(C)cc(C)cc1C	408985481	MJTNFJKJRCLTET-FYJGNVAPSA-N	423.516	6.140	50	40	HKGB	
O=C(N/N=C\c1cn(CCOc2ccccc2)c2ccccc12)c1ccc(Cl)cc1	409213488	WCGWWZPGOKHWEE-QQXSKIMKSA-N	417.896	5.138	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1C#N	409390556	FUICPDNTMKLUIT-UKWGHVSLSA-N	418.855	6.003	50	40	HKGB	
COc1c(Cl)cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl	659672	ZXDYBPNBTGEEIQ-BHGWPJFGSA-N	413.260	5.665	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1C	9445814	MECYZFAMWPEKHF-GZTJUZNOSA-N	424.367	6.474	50	40	HKGB	
N#C/C(=C\c1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1)C(=O)c1ccc(F)cc1	18918078	QSNQYYBDTUIMBE-JFMUQQRKSA-N	424.406	5.545	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nc2ccccc2s1	27018079	PVMOWHHNDILBCC-JXAWBTAJSA-N	422.488	6.352	50	40	HKGB	
COc1cccc2cc(/C=C(/C#N)c3nc(O)c4c5c(sc4n3)CCCC5)oc12	62579999	QGRFPTFLUHVESO-RAXLEYEMSA-N	403.463	5.095	50	40	HKGB	
Cc1cc2c(c(C(C)(C)C)c1)OP(Cl)Oc1c(cc(C)cc1C(C)(C)C)C2	95670909	KRHKHFIRJXGCEL-UHFFFAOYSA-N	404.918	7.726	50	40	HKGB	
N#C/C(=C/c1cc(Br)cs1)C(=O)Nc1cccc(C(F)(F)F)c1	212111825	CXYQOSPYOZVAKF-WTKPLQERSA-N	401.207	5.075	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	408538925	RLXRCYXOXDFTGD-PGMHBOJBSA-N	424.972	6.933	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408725040	GIIQDGFWCXDRIQ-STZFKDTASA-N	400.434	5.637	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1C	408790471	WLSXNCYUVRJKOE-RVDMUPIBSA-N	411.288	6.416	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1cccc(C(F)(F)F)c1	408855019	CLYJCXRLUMZXKA-QINSGFPZSA-N	417.228	6.323	50	40	HKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	408859777	YWQPEHOWNIXMCZ-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Cl)cc3)sc2c1Cl	408973079	YJQDZVBVQSQYJJ-WNFQYIGGSA-N	413.713	5.634	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)n1	409381523	HMLMSUUGOFLVPP-LICLKQGHSA-N	413.308	5.462	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1)c1cccc(F)c1	409394026	UOMOFMWHALNUGP-YVLHZVERSA-N	424.834	5.700	50	40	HKGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3c(F)cccc3Cl)cc2)cc1C	2100491	JTJZJGVDTALOTD-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc3c(c2)OCO3)cs1	2201386	SEXJPXIZIACRFK-UKTHLTGXSA-N	415.396	5.534	50	40	HKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)CSc1nc2ccccc2o1	3669230	RZHLAPWMTJMBFF-HZHRSRAPSA-N	411.527	5.029	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3C)o2)cc1	4705178	UPKBVARSWXVSDA-VBKFSLOCSA-N	406.869	5.853	50	40	HKGB	
O=C(N/N=C1\CCc2ccccc21)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	8150749	VRDZKDKDMJTOGN-WEMUOSSPSA-N	411.892	5.636	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccs1	59198097	XEJQWVPZQODCQR-SSDVNMTOSA-N	405.306	5.398	50	40	HKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccco3)cc2-c2cccc3ccccc23)c1	408724573	MDYNPBBECLTAET-WPWMEQJKSA-N	420.472	5.358	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1	408783529	MPQRZQNKUGSJDQ-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1ccc(C(F)(F)F)cc1	408783737	QCSWZRSGHXUCOZ-ZROIWOOFSA-N	417.770	6.381	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccc(O)cc1	408877382	VMRBZDVBRONNQF-LDADJPATSA-N	406.844	5.321	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1c(Cl)cccc1Cl	408880276	HBHNEKVFQJLANO-JLHYYAGUSA-N	417.679	6.452	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)NCCc1c[nH]c2ccccc12	408951645	MEPYQKKRTNXHSK-KQWNVCNZSA-N	421.500	5.013	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C	408968638	YCOZQMQURZGXDM-MOSHPQCFSA-N	403.913	5.856	50	40	HKGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2cccc(Br)c2)c2ccccc12	408998440	JEKFEONXHYMHCR-QFEZKATASA-N	417.306	5.828	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1	409046078	IIECLHYZKAZMBV-LZYBPNLTSA-N	403.309	5.882	50	40	HKGB	
CC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@H](c3ccc(Cl)cc3)CC2=O)N1	1082077	VPAXLOXNUMKTBK-AOMKIAJQSA-N	419.868	5.133	50	40	HKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	1782606	MOPVDAOSJPEYES-VKLJRCAFSA-N	424.500	5.433	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@@H](Br)C2=O	2374374	VOVBTBDAIMOLGY-VUCTXSBTSA-N	419.146	5.091	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)cc1	4739481	HEDFXPLHQJZFCX-CULPDNDYSA-N	415.497	5.295	50	40	HKGB	
CCCCCC[C@@H](C)Oc1ccc(Cl)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	33764809	KFMLDWJIUMCTJZ-GMYFBSLISA-N	407.945	7.018	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	96444252	QGYKCWROMZRSHR-VBKFSLOCSA-N	400.309	5.529	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc1	103007364	IKZMROJYQBACOE-OZXQKKSJSA-N	420.597	7.025	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3cccc(Br)c3)cc2C(C)=CC1(C)C	208522745	PJNQGYAZSBIKOJ-JAIQZWGSSA-N	421.382	6.844	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1Cl	408735221	OSQKNFYWRSSOHU-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)c1ccc(Br)cc1	408742765	SQWOGHNFXXBBHG-BKUYFWCQSA-N	415.290	5.964	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)o2)cc1	408755653	RRYWPOAODBTPHI-WGOQTCKBSA-N	412.445	5.040	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1	408885541	BQIFCKWBYGGIHN-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CC(C)n1cc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc21	408956118	YSEYMEOOGWVAHR-KSEXSDGBSA-N	424.298	5.495	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(OCC#N)c(Cl)c1	408985091	VCKGKYRAELOLAE-QPEQYQDCSA-N	420.683	5.403	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1cccc(F)c1	409199635	CHVYIYMGLHOLSP-WYMPLXKRSA-N	415.921	5.129	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1	6155538	FKBRFYIWWVYPAT-UNOMPAQXSA-N	418.424	5.776	50	40	HKGB	
CCCCCCCCCOc1ccc(/C(C)=N\NC(=O)c2ccc(OC)cc2)cc1	8386864	HDEAWGULXYVFFV-QOMWVZHYSA-N	410.558	5.979	50	40	HKGB	
Cc1cc(C)c(N2CSC3=C(C#N)[C@H](c4ccccc4Cl)CC(=O)N3C2)c(C)c1	9693542	IXAKCYZEQNIIQJ-SFHVURJKSA-N	423.969	5.485	50	40	HKGB	
Cc1ccccc1N(C(=O)CCl)[C@H](C#N)c1ccccc1OCc1ccccc1	12650006	NDBYPSSCIZIGBT-JOCHJYFZSA-N	404.897	5.411	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(C)cc1	33656025	QIYDVNZQPFGDAB-UCQKPKSFSA-N	413.473	5.735	50	40	HKGB	
CC1(C)[C@@H]2C[C@@H]1CC=C2/C=N/NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1	102986983	UAIMDGWMWZGOOV-ZGFSKAJUSA-N	410.521	5.247	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc21	208208419	NOWDPPGBTFENKF-KSXCTLEASA-N	401.510	5.031	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)o3)[nH]c2cc1C	408542893	LMVHCQBMFDXKSP-PTNGSMBKSA-N	405.910	6.642	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccccc1	408740913	DZCOPKZOMZYYGQ-JLPGSUDCSA-N	404.469	5.964	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	408748746	HAHKAPILHSVNMN-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1Cl	408798991	XMRBNZMBSSQHMD-CXUHLZMHSA-N	401.293	5.721	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c1C	408959800	GCBSYLXIVXQLQC-QFEZKATASA-N	408.933	5.774	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1C	409240825	QBUMCRCIKRNFQS-OEAKJJBVSA-N	423.491	5.991	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)NC3=C2C(=O)CCC3)cc1	2359092	WDFDPLLERNXRKT-QFIPXVFZSA-N	420.965	6.011	50	40	HKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(C)c1	4747166	UIBQWYUZZONFRV-ATVHPVEESA-N	401.422	5.326	50	40	HKGB	
C/C(=N\NC(=O)COc1cc(C)ccc1C)c1ccc2c(c1)Nc1ccccc1S2	6331548	IRFQGLLIXHBZPS-YZSQISJMSA-N	417.534	5.431	50	40	HKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2F)o1	13943727	XVJKURHUOHTRGK-JVWAILMASA-N	414.436	5.282	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1	59201265	UGNLCNUCXSUIEZ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1	105525967	DLVMICDHBJAZBL-PKAZHMFMSA-N	420.475	6.209	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2C(C)=CC1(C)C	208524899	CBPJRPYHLMFQMT-UNOMPAQXSA-N	419.956	6.216	50	40	HKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1cccc2ccccc12	408691875	VKNJWXCFNVDUEJ-QNGOZBTKSA-N	402.501	6.204	50	40	HKGB	
Cn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409035830	QKYQTSDLNDXCGL-JVWAILMASA-N	404.473	5.157	50	40	HKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)cc3)o2)sc(C)c1C	1453441	XCETXWIPZWQMFW-XNTDXEJSSA-N	424.453	5.096	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	2670444	XBBTUNFGDHGONN-RVDMUPIBSA-N	419.308	5.727	50	40	HKGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2Cl)cc1	2886723	MRDJCWDYFXSXDH-LFIBNONCSA-N	417.292	5.496	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2cccc3ccccc23)cs1	5022100	JANIXJKKUPEECC-GZTJUZNOSA-N	413.458	5.944	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1cccs1	5491272	QTCFPIMJSFKTHK-LJQANCHMSA-N	402.523	5.404	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCCc1ccccc1	5610769	PGZLZBGRIWMHLZ-FOWTUZBSSA-N	411.288	5.519	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br	6596379	PCIPZUXMWOXFNH-YQODDJSKSA-N	406.323	6.844	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)cc(Br)c1O	13002634	STWCYKFAOBRXQS-ONNFQVAWSA-N	421.703	5.491	50	40	HKGB	
O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	14134897	ARYNTBVKLYGICG-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc21	208453060	UDHRNEBWXSFIIY-WQRHYEAKSA-N	405.929	5.826	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1	209491602	MZTMXHWEAWPJIV-UDWIEESQSA-N	422.297	6.540	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1	408580091	ABWLFWQFUGVSQI-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409060387	ZMAZODINIZZKFW-OXTKCVBUSA-N	412.533	5.695	50	40	HKGB	
O=C(CC(O)(c1ccccc1)c1ccccc1)NN(Cc1ccccc1)c1ccccc1	2298133	YCBVDCJRAMACLM-UHFFFAOYSA-N	422.528	5.051	50	40	HKGB	
CCCCCCCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1	3049760	SAZTUMCBCAGWQO-KGENOOAVSA-N	401.557	5.851	50	40	HKGB	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1	3997781	FITVIMZGUZAOLE-ZROIWOOFSA-N	412.268	5.545	50	40	HKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1ccc(F)cc1	6441296	ZAAPJKMVZMEEAA-PXLXIMEGSA-N	409.460	6.631	50	40	HKGB	
Cc1ccc(N[C@@H](c2ccccc2)[C@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16293182	BOPGCMCJMKWRLN-BDYUSTAISA-N	422.553	6.767	50	40	HKGB	
CC1=C(C#N)[C@H](c2ccc(OCc3ccc(F)cc3)cc2)C2=C(CC(C)(C)CC2=O)N1	19902849	OQJLMEILEJPRJE-DEOSSOPVSA-N	416.496	5.532	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)c(C)c1	58927474	OBTDBNGJZPUJLC-JFLMPSFJSA-N	411.505	5.334	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)oc12	208458596	DCAADVOJNSXDQV-VULFUBBASA-N	417.509	5.145	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c(C)c1	223556354	OVCAVODZPOXVTI-ZWAQGKOVSA-N	415.581	6.350	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc2ccccc12	408756020	QKCLZPVBJHDSRE-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1C	408796199	XJZAEUYFZSTKPL-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1F	408818114	ZIWHEPLPMRKBPY-AQTBWJFISA-N	406.844	5.604	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2ccc3ccccc3c2)cc1)c1cc2ccccc2o1	408847797	RVZYEFFLAFHOLZ-QRQIAZFYSA-N	420.468	5.929	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(OC)cc2)c1C	408853420	SALSEKHWGCBKLB-MYYYXRDXSA-N	404.514	5.129	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)cc1	409017748	PBXLHSZYIRWQDA-MXAYSNPKSA-N	421.884	5.266	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C#N)cc1)C(=O)NC1CCCCC1	409149350	CGHJGJGWBDGLRA-UDWIEESQSA-N	419.912	5.147	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1cccc2ccccc12	409313580	CJDLNJNMIITPFI-JWGURIENSA-N	406.441	6.391	50	40	HKGB	
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cccs1	705630	BYLJRSSQAMQTCB-SFHVURJKSA-N	415.440	5.072	50	40	HKGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	33381635	MBSMEPCHABQFDN-WJDWOHSUSA-N	418.415	5.439	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cc(Cl)ccc4Cl)c3C)[nH]c2c1	33632662	YPQGKGJYVDSCDN-YVLHZVERSA-N	421.331	6.650	50	40	HKGB	
N#CC1=C(NC(=O)c2ccccc2)Oc2ccc3ccccc3c2[C@H]1c1ccccc1	36612670	LJFPKHXZIALJMI-DEOSSOPVSA-N	402.453	5.529	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)c1	59297179	OQNDQSRWONCWSX-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	137155436	YAXWMGWAQABEJG-LDADJPATSA-N	420.553	5.850	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)Cn1cnc2ccccc21	408691676	LFWIYEKRPKOAEW-UYRXBGFRSA-N	410.433	5.131	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	408779902	NELQNLLTFJAAQC-FOWTUZBSSA-N	417.421	5.188	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)c2ccccc2Br)cc1C(C)C	408857391	UVMZROZJRJHBQC-WSDLNYQXSA-N	403.320	5.044	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2C)c1	408865781	FOZAERFUIXRVJD-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OC(=O)c2ccc(Cl)cc2)cc1	408921617	BJTSVSFYQJADLC-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc(C)cc1	409069566	JRAQJFPNTURBQM-YZSQISJMSA-N	409.529	6.765	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc([N+](=O)[O-])cc1	409393312	PZZKURRKQNQEMJ-ODLFYWEKSA-N	404.397	5.386	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)c1c[nH]c2ccccc12	4483161	IULBYMWDUAHDHU-UKTHLTGXSA-N	407.256	6.525	50	40	HKGB	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1	5898894	QGYKCWROMZRSHR-FOWTUZBSSA-N	400.309	5.529	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2cc(C)ccc2C(C)C)cc1)c1ccc(C)cc1	6426509	KQWWZBWDWKTBCE-SGWCAAJKSA-N	414.549	6.160	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1cccc(C(F)(F)F)c1	9323101	QRFOQOGWDMQOQL-BHGWPJFGSA-N	424.831	5.867	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccccc3[N+](=O)[O-])n2)cc1	100083890	LDHKLYJBIBEZIZ-AQTBWJFISA-N	404.495	5.893	50	40	HKGB	
CCCCCCCCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O	100124704	WVCNLDJYKZNJTJ-UNMCSNQZSA-O	419.070	6.399	50	40	HKGB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	107773669	MDTGUIJYQZJKMD-WSDLNYQXSA-N	423.560	6.494	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc21	208465783	VFVHLLAEZMCKKB-BRJLIKDPSA-N	416.352	5.697	50	40	HKGB	
N#CSCC(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1	226328128	WAAVJNZBFSLONB-UHFFFAOYSA-N	422.691	5.063	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)c1	408745974	PRCDBYWYVWPGCX-MOSHPQCFSA-N	416.452	5.349	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	408933948	CJUQRCVRMKWSNA-MOSHPQCFSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl	409068879	UGTGMYRNIFCCCO-PTNGSMBKSA-N	416.760	7.862	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1O[C@@H](C)c1ccccc1	2064513	DCWWDRXBZUEBBP-JPOGYNCRSA-N	400.434	5.808	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1	4149588	IPZPJCUZMDHJJE-LDADJPATSA-N	415.880	5.868	50	40	HKGB	
Cc1ccc2nc(SCC(=O)N/N=C/c3ccccc3C(F)(F)F)cc(C)c2c1	5006896	AAYBJELLSHOWDE-OPEKNORGSA-N	417.456	5.113	50	40	HKGB	
Cc1cc(C(=O)N/N=C2\CCCC[C@@H]2C2CCCCC2)c(C)n1-c1ccc(F)cc1	12602271	NGSALRCXPVHWPG-QYRBOEITSA-N	409.549	6.090	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1	28216244	BUITTXVIUDFQAF-WYMPLXKRSA-N	415.921	5.129	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1	408582317	MWGLGFBEVBGARM-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc2ccccc2c1	408754135	DQGCUAYBKSPYDO-LICLKQGHSA-N	407.267	5.157	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	408812593	WYMPJXZYDKWRHM-CPNJWEJPSA-N	419.912	5.610	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc2ccccc12	409389514	BTCGWYVXKCSIRI-UCQKPKSFSA-N	409.460	6.631	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)ccc3C)n2)cc1OC	4263945	MAMOMLJMJCSORU-RVDMUPIBSA-N	411.914	5.766	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	4705389	BAICZENQHSYXNT-WJDWOHSUSA-N	406.825	5.152	50	40	HKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccccc3F)CC(=O)N2C1	4922719	JXVVOINABTVZIX-OAHLLOKOSA-N	413.905	5.007	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)=O	5023808	HAWXPFWVKHLKBS-SXGWCWSVSA-N	410.882	5.462	50	40	HKGB	
CC(=O)N(c1nc(/C=C(\C#N)c2nc3ccccc3s2)cs1)c1ccccc1F	12979255	FTWMONMYNHQECN-GXDHUFHOSA-N	420.494	5.641	50	40	HKGB	
CC/C(=C(/c1ccccc1)c1ccc(OCCBr)cc1)c1ccccc1	39331419	SESDRMKQMZBTML-WCWDXBQESA-N	407.351	6.829	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1cccc(F)c1)C(=O)Nc1ccccc1	59116686	WLOUACTWFPAANM-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(C)c2c1C=Cc1c(C)ccc(C)c1[C@@H](Br)[C@@H]2Br	68564982	KDAOPCIGNVGXLN-WOJBJXKFSA-N	420.188	6.976	50	40	HKGB	biogenic
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1	137043116	QWOBKDUZCJHADV-OVBDPADQSA-N	400.453	5.189	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(OC)c3)c2C)cc1	223166182	XGMGTXLBDHQSCC-ZHZULCJRSA-N	415.493	5.047	50	40	HKGB	
CC1=C(/C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(\C)C=O)C(C)(C)CCC1	254568437	DFMMVLFMMAQXHZ-TYGUNXQHSA-N	416.649	8.722	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1	408579188	DKDCMVXTZQFDJV-NTEUORMPSA-N	407.105	5.674	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	408746518	DYUBXFUCWRGCAV-ODLFYWEKSA-N	424.331	5.624	50	40	HKGB	
C=CCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21	408762605	FGVUHXDTYNMANP-PTNGSMBKSA-N	406.283	5.135	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408789057	NUWZCYJSEOKWMX-RIYZIHGNSA-N	405.281	5.336	50	40	HKGB	
N#CC1=C(N)Oc2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H]1c1ccc(Cl)cc1	677919	DTMVWQWTFQSJTH-OAQYLSRUSA-N	424.891	5.411	50	40	HKGB	
C=C(Cl)[C@](Cl)(CBr)CC[C@H](Br)C(C)(C)Cl	1638740	OVLCIYBVQSJPKK-WCBMZHEXSA-N	401.397	5.673	50	40	HKGB	biogenic
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1nc2ccccc2c(=O)[nH]1	6143638	AJULFOAXVRFOBA-SDNWHVSQSA-N	418.250	5.010	50	40	HKGB	
COc1ccc(CSC(=S)Nc2cccc(S(F)(F)(F)(F)F)c2)cc1	104198558	ZIDONDAJHAHTLW-UHFFFAOYSA-N	415.474	6.983	50	40	HKGB	
COc1cc(/C=C/C#N)c(Br)cc1OCc1ccc(Br)cc1	107896712	OEAYKECZURHMHJ-NSCUHMNNSA-N	423.104	5.336	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1C	260562900	CMUYZXYINQZPCD-GFIJVFARSA-N	401.554	5.880	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc(Cl)c(Cl)c3)o2)cc1	408588369	VTKZKESGKKYKTH-BOPFTXTBSA-N	412.272	6.494	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1cccc(OC(C)C)c1	408782447	INDOGTQEVZLGCM-RGEXLXHISA-N	400.478	5.571	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc2ccccc2c1	408814734	QBBDDAKUZYUOIO-HYARGMPZSA-N	409.464	5.932	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408966551	MDHZIZJWLLFKGK-MFKUBSTISA-N	418.497	5.064	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1OCC	409057805	WORSQJQJBFUXIP-FSJBWODESA-N	407.297	5.029	50	40	HKGB	
N#C/C(=C/c1cc(Br)ccc1OCC(=O)O)c1cccc2ccccc12	409312193	DVJSBCPLZZXVAY-YBEGLDIGSA-N	408.251	5.130	50	40	HKGB	
CCC1=CC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(N)N1c1ccc(F)c(Cl)c1	2281828	KRHLQZLNTFBCKC-UHFFFAOYSA-N	413.724	5.398	50	40	HKGB	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	36329524	KWDBGPBHIAKLLG-WZUFQYTHSA-N	418.261	5.795	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccc(OCc4nccn4C)cc3)n2)cc1	48361544	ALKHQNAODXBMEO-MOSHPQCFSA-N	412.518	5.495	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)ccc1OCc1ccc(Cl)cc1Cl	59334754	CSKUUXZQXWDDNE-WQRHYEAKSA-N	415.320	5.296	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)c1ccc(Cl)cc1Cl	408581095	UKHZNZBWQXBYEJ-LICLKQGHSA-N	414.719	7.290	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(F)cc3[N+](=O)[O-])o2)cc1	408598953	LXKZQFXUTZGFCI-ZMOGYAJESA-N	409.417	5.055	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1ccc(O)cc1	408811088	LABPRUOOPINXJP-LDADJPATSA-N	404.853	5.170	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1C	408866065	GEWHEDGVZXBCGB-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1ccccc1F	408881118	JNLWOPRHBASEJA-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CNc3cccc4ccccc34)c2C)cc1	409390522	DUFQRGHWARQIPQ-LQKURTRISA-N	410.521	5.118	50	40	HKGB	
CC[C@@H](c1ccc(OC)cc1)[C@@H](CN(CCCl)CCCl)c1ccc(OC)cc1	1667249	BRMHFXYLZCIKQI-GOTSBHOMSA-N	424.412	5.761	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	2207539	IXAOXJJAKGQSJT-FMIVXFBMSA-N	400.822	5.487	50	40	HKGB	
C=CCOC(=O)C1=C(C)NC(SCCCC)=C(C#N)[C@@H]1c1ccccc1Cl	20189146	HFFDAVZWONSROH-IBGZPJMESA-N	402.947	5.298	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1	33420912	ABXVRJICZRDECS-XLNRJJMWSA-N	411.505	5.267	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)c1	58832747	YPUTYGKSZHEONC-FOWTUZBSSA-N	421.294	5.872	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21	223517005	KKVDHUUXJDJIBJ-DICXZTSXSA-N	415.537	5.915	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(/N=N/c3ccccc3)ccc2O)cc1	408746286	YEVBJVJQSVCBGR-MINKOCQJSA-N	412.449	5.752	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1C	408782762	YXBLEPSEVLINMS-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1C	408799530	ZNOWTJQTSYWROV-OVCLIPMQSA-N	400.265	5.058	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)c1	408876547	MADXBSWSMVPKMI-HZHRSRAPSA-N	414.936	6.402	50	40	HKGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408881087	LTCBJACWPRMBKQ-XNTDXEJSSA-N	404.388	5.048	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)c(C)c1	409212862	RREIIIGJUXILRO-FOWTUZBSSA-N	410.395	6.128	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1	409361546	HPANDIJFWPBNCQ-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cccn3-c3cccc(C(F)(F)F)c3)[nH]c2c1	409392034	NFTACLJHEOIVGG-UVTDQMKNSA-N	408.383	5.445	50	40	HKGB	
Cc1ccc(COc2ccc(Br)cc2/C=C(/C#N)c2cccc(F)c2)cc1	409394251	XRDRGHYDRZFBDN-JAIQZWGSSA-N	422.297	6.540	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccc(OCC(C)C)cc1	6401461	SECDTEAYXGHJNX-ZHZULCJRSA-N	415.493	5.044	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)[nH]n1)c1ccc(Cl)cc1	9087832	DAOUOQCZMYFICK-LSHDLFTRSA-N	407.688	5.191	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc(F)c2)c2ccccc12)S(=O)(=O)c1ccccc1	17090619	YHMOWVHYDMMYER-HYARGMPZSA-N	416.477	5.167	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)c1	28215959	AXYUHSOKPNXYKH-LGJNPRDNSA-N	423.557	5.234	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1O	59473584	OASFJWRUHARIKG-BUVRLJJBSA-N	410.926	5.492	50	40	HKGB	
CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(CCCCCC)cc2)cc1	98044730	MARYUQWYACAGDQ-UHFFFAOYSA-N	422.613	6.397	50	40	HKGB	
Cc1ccc([P@@](Cc2ccccc2)(c2ccccc2)c2cccc3ccccc23)cc1	104094138	IUMBYWCXCGMUJO-UHFFFAOYSA-N	417.512	6.642	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[C@H](C)CC1(C)C	208317489	YZKCSJJMTZHVSH-HPKGMJOESA-N	421.972	6.306	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)c2c1	408769589	WGOFJIUHOIULBU-JXAWBTAJSA-N	416.477	5.191	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)c1	409059213	VLSGGXPWAPTOQK-LZYBPNLTSA-N	403.309	5.882	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)Sc1ccccc1N2C	1410134	FJZFDMYCTYIOIQ-GHRIWEEISA-N	413.502	5.473	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(C)C	4502023	QIRXHMQPLOQNJL-MTJSOVHGSA-N	400.478	5.429	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(C(N)=O)cc3)n2)cc1	13659555	VXDMNXYHXOCMSN-UYRXBGFRSA-N	402.523	5.084	50	40	HKGB	
COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	19830935	AGPVIIMFWBKRHJ-SBUREZEXSA-N	404.897	5.234	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1cccc(Cl)c1	59447349	XDXLJTSVXUQXRN-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)Nc1cc(Cl)ccc1Cl	69008516	PLBWHWMGSGZBMO-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Br)Sc1nc2ccccc2s1	107833036	NBJSXTRHXZGECT-KPKJPENVSA-N	418.297	5.624	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1F	408867111	IUJRXKHEKCTDEH-XSFVSMFZSA-N	404.872	5.924	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@@H]1c1ccc(-c2cc(Cl)ccc2Cl)o1	1424685	KAOSFTXLIJLGPR-SFHVURJKSA-N	401.249	5.068	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccc(C#N)cc1	1453298	PNFRZKSPYYAQKR-NTEUORMPSA-N	408.244	5.671	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2n1	4562474	HCBDTDAQINKKQQ-JVWAILMASA-N	404.473	5.002	50	40	HKGB	
CCSc1nc(C)c(-c2csc(/C(C#N)=C\c3ccc(Cl)cc3)n2)cc1C#N	9445857	SLLLUXFUBZEEQL-NVNXTCNLSA-N	422.966	6.215	50	40	HKGB	
C[C@@H](c1ccccc1)N1CSC2=C(C#N)[C@H](c3ccc(Cl)cc3)CC(=O)N2C1	36352346	QJCMPYCCQIBKQI-KXBFYZLASA-N	409.942	5.116	50	40	HKGB	
O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(CSCc2ccccc2)cc1	58916019	POJZXJQPAHFZQV-DHRITJCHSA-N	412.917	5.676	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1)C(=O)Nc1ccccc1	59116704	DTANGRFZTLEBFG-GHRIWEEISA-N	423.299	6.118	50	40	HKGB	
O=C(N/N=C/c1cccc(C(F)(F)F)c1)c1ccc(CSc2ccccc2)cc1	59473788	KLYBAUFSDCAKGI-VULFUBBASA-N	414.452	5.762	50	40	HKGB	
Cc1ccc(C)c(NC(=O)C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1	102579640	USXFEMZRQFDEHV-UHFFFAOYSA-O	424.504	5.236	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)[nH]c2cc1C	408541961	GFTRXMVHQBXCQG-OQLLNIDSSA-N	418.840	6.066	50	40	HKGB	
O=C(CSCc1ccc2ccccc2c1)N/N=C/c1c(Cl)cccc1Cl	408727957	TXZYSSUTTLYCRV-FOKLQQMPSA-N	403.334	5.530	50	40	HKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)o2)c1	408744330	KMBMDRGGGSUXPC-WJDWOHSUSA-N	420.852	5.241	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(-c2ccccc2)n1-c1ccccc1	408774071	ODVSOKPIRNPUHL-NKFKGCMQSA-N	409.533	5.809	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	408790815	ZDEQQTOWLYTGGO-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccccc1	408881705	MEAXPKCILJRNKK-LTGZKZEYSA-N	422.459	6.104	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1	408994363	YXPMUXYLTPUFOY-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409023226	VOMZTCUNLJTDRZ-MXAYSNPKSA-N	406.869	5.791	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)o2)cc1[N+](=O)[O-]	409024300	POESIVYRHDLDMB-KSEXSDGBSA-N	423.812	5.327	50	40	HKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1	2177538	XAYLGFNAEXFZCJ-MFKUBSTISA-N	410.901	5.390	50	40	HKGB	
CCCC[P@@](C)(CC[PH](C)(c1ccccc1)c1ccccc1)c1ccccc1	104157662	XUDYEZSMPYXHRM-UHFFFAOYSA-N	409.514	5.790	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1	408785042	XFZYALZDEQZSET-JWGURIENSA-N	417.940	5.648	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1F	408815392	HNYRUDZJIQNYKR-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2)cc1	408934583	FDOGRQLHOIIGPW-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)o2)cc1	409210988	MOSXTEUJUODCNH-WSDLNYQXSA-N	416.955	5.635	50	40	HKGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	409319208	BZGNYJVLDMMWOY-OAQYLSRUSA-N	400.503	5.120	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1F	1439484	VYMRLABADKJRCN-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1-n1cccc1	9262039	SSYWYHUEMGJZCC-BUVRLJJBSA-N	421.909	5.639	50	40	HKGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	14166470	BDAJFMFDAOITHT-PCLIKHOPSA-N	424.953	5.552	50	40	HKGB	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C(/C#N)c1nc2ccccc2s1	33695083	NLOGLXAHUQSXKW-RAXLEYEMSA-N	411.317	6.161	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	59133079	KQJKBJYVBFGFMX-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)c2C)c1	107953684	GTGDLAKQLAXBJQ-MTJSOVHGSA-N	424.504	5.438	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C	123217965	STUMUGIDOYWJQH-OYYOEVTJSA-N	421.109	7.846	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408579326	FREKUOPKCIXPTO-OQLLNIDSSA-N	404.691	5.740	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)cc2)cc1Cl	408735455	SESMKYXNRSZTPO-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Br)cc1	408767063	IJZNWBAVQUFSHC-WQRHYEAKSA-N	411.730	6.574	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3C#N)c3ccccc23)cc1	408793011	CQODCYIAPQNJCE-HYARGMPZSA-N	416.484	5.415	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1ccccc1F	408878186	XQYPCBFUCMAXSJ-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)c1	4047923	JGQUMOXKOPWBRP-MYYYXRDXSA-N	419.528	6.410	50	40	HKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1	6263194	KCCMDZYVBSGMIS-GHRIWEEISA-N	401.422	5.524	50	40	HKGB	
Cc1c(/C=C(\C#N)c2cccc3ccccc23)c2ccccc2n1Cc1ccccc1F	6414902	ZMJMMPSZFXOFTQ-HAVVHWLPSA-N	416.499	7.355	50	40	HKGB	
C=CCn1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21	14151939	ULJCQOZHKKKVIX-FOWTUZBSSA-N	412.518	5.185	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2Cl)c(C)n1-c1ccccc1	28215964	HJGCQSSPUXSINP-ZMOGYAJESA-N	411.958	5.131	50	40	HKGB	
CC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	83260667	HUJYLHYPWODNIC-ONUIUJJFSA-N	424.460	5.190	50	40	HKGB	
CCCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528092	UKQFESRVFBXFLX-VIFPVBQESA-N	422.166	6.374	50	40	HKGB	
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	245380376	XVBLKXKJUOMOSZ-XEFXCDLHSA-N	422.956	5.688	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3ccc4ccccc4c3)o2)c(Br)c1	408549612	VRMVKVYACRMXTF-XSFVSMFZSA-N	414.302	7.235	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1OC	408579698	JRDWCNSCYBBNLD-UDWIEESQSA-N	405.881	6.000	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)Sc1nc2ccccc2[nH]1	408599341	SRJCCGOSGAXKOE-DEDYPNTBSA-N	417.921	6.452	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)Nc2ccccc2)cc1	408785872	IXTRIZPUHWTHCI-QJOMJCCJSA-N	418.496	6.273	50	40	HKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	409048629	TWHXGLXCSZMLOZ-MKMNVTDBSA-N	423.727	6.227	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3ccccc3OCC)c2C)cc1	409187816	UPFFJIOKDBRTPY-XYGWBWBKSA-N	420.513	5.047	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2c(O)ccc3ccccc23)c(Cl)c1	1102866	SHGAUMMFUURYRT-VULFUBBASA-N	417.896	5.370	50	40	HKGB	
Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1	6203749	OMPLRQHEYVCCPO-UKTHLTGXSA-N	404.297	6.541	50	40	HKGB	
CCCCCCCCOc1ccccc1/C=N/NC(=O)c1ccc2ccccc2n1	8386197	JXBOSYQTASGNEN-LGUFXXKBSA-N	403.526	5.738	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Cl	9234406	TVTBNSJINPQHAI-DHRITJCHSA-N	406.869	5.791	50	40	HKGB	
CCOC(=O)C1=C(C)NC(SCc2ccc(C)cc2)=C(C#N)[C@H]1c1cccs1	19851519	TWMJYFOAXQDNRW-FQEVSTJZSA-N	410.564	5.249	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1	59296935	PCDUOCQKCPHGGM-STZFKDTASA-N	400.453	5.513	50	40	HKGB	
O=[S@](CCl)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1	83434005	HIDUYNJCJKSUNG-NDEPHWFRSA-N	411.889	5.249	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)cc1	408531512	OIEQROPJUXHDLZ-LCYFTJDESA-N	419.105	7.080	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1cccc(C#N)c1	408566263	FLWCXIAHVDGGPG-JAIQZWGSSA-N	405.284	6.508	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3C)o2)cc1Cl	408742944	CUHGGXRMDAMXLL-WJDWOHSUSA-N	420.852	5.241	50	40	HKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c2c1	408768183	CPFKNTLQPCUSIN-XMHGGMMESA-N	407.473	5.698	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc2ncccc2c1	408965189	HEJZMEVMXPAVKX-STBIYBPSSA-N	418.500	5.559	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)oc12	408970949	BJBVYKPJARQXGW-VULFUBBASA-N	422.525	5.506	50	40	HKGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1Cl	409318848	YAFWKRVBWQCLEA-CQSZACIVSA-N	419.333	5.274	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	2774089	IXILWQOAKDATEE-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
CCc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1	6160389	UBWBDFHPXWOSDJ-QGZVFWFLSA-N	411.292	5.164	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1cccnc1	30961612	JUNUVQWFIZKYKN-NTFVMDSBSA-N	404.473	5.002	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1ccc(Cl)cc1	58916709	NQJXFUYWBLWDPE-ZMOGYAJESA-N	411.958	5.131	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc2ccccc12	59225008	QWZUJEUJEFDEIA-CJLVFECKSA-N	422.459	6.104	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC	59272386	JEPYDGJXPGEAAK-XNTDXEJSSA-N	404.388	5.048	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2cc1C	107840172	SROUGINYNMWSIU-LFIBNONCSA-N	418.294	6.266	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Cl)cc1Cl	408581556	XXGVIHSRZXUZDQ-MDWZMJQESA-N	409.110	6.385	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408795533	CINSVMKYKXEZMD-GXDHUFHOSA-N	417.690	5.213	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1	408805327	AAXSFTJCMJNHBM-SDNWHVSQSA-N	406.825	5.152	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2Cl)cc1	408856039	IOAUPHGIYSIUAI-PKAZHMFMSA-N	413.908	5.870	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccccc1F	408900356	VHUCDKXNKSDKLV-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCC(C)C)c2ccccc12	408916417	XGQVNZIHYBYAQD-VULFUBBASA-N	404.510	5.021	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)cc2)cc1	409238649	BEAINNSAZPCWII-ZVHZXABRSA-N	410.926	5.329	50	40	HKGB	
CCCCN(CCCC)C(=O)C1(P(=O)(c2ccccc2)c2ccccc2)CCC1	2286932	OJPZJHXXFYOIDF-UHFFFAOYSA-N	411.526	5.352	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1	3079558	WLRDJWMSJYCTJV-RHKYMZEHSA-N	418.562	5.346	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)c1	3169760	KKIMPMYJCVGGMD-DHRITJCHSA-N	410.901	5.561	50	40	HKGB	
Cn1c2ccccc2c2ccc(CC(=O)N/N=C/c3ccc(Cl)cc3Cl)cc21	3382796	JEVNUMDEIVFBPC-DHRITJCHSA-N	410.304	5.331	50	40	HKGB	
N#C/C(=C\Nc1ccc2ccccc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1	9348934	AATRYOUTOXHIRO-XMHGGMMESA-N	421.481	6.046	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)[nH]c2c1	50861546	KMWYIJQUXAMLLH-UYRXBGFRSA-N	406.464	6.078	50	40	HKGB	
CCCCCCCCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)O	100124699	WVCNLDJYKZNJTJ-RBBKRZOGSA-O	419.070	6.399	50	40	HKGB	
O=P(Cl)(Cl)C12CC3C[C@](Br)(C1)C[C@](Br)(C3)C2	101051830	STCISZFNVRSMJE-DSAQSWLYSA-N	410.901	5.661	50	40	HKGB	
CC/C(=C(\c1ccccc1)c1ccc(OCCBr)cc1)c1ccccc1	196571448	SESDRMKQMZBTML-VHXPQNKSSA-N	407.351	6.829	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408806202	AEUHJXORFPLUDF-UNOMPAQXSA-N	417.965	6.624	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc2ncccc2c1	408964697	FGAOOVSVUDKDSJ-WGARJPEWSA-N	417.900	5.451	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(Cl)cc1Cl	409133564	MXKPSMMJKQMNOF-AFUMVMLFSA-N	414.336	5.484	50	40	HKGB	
C=CCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	409183779	GEWNBNNQWFDKDZ-WGOQTCKBSA-N	414.530	5.205	50	40	HKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)COc1cc(C)ccc1C(C)C	4187422	SOHBGHHVSGENGE-YZSQISJMSA-N	410.558	5.607	50	40	HKGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc(Cl)cc2)cs1	4995897	MENHKEQAIVZSBS-XFXZXTDPSA-N	400.822	5.487	50	40	HKGB	
C/C(=N\NC(=O)COc1cc(Cl)ccc1Cl)c1ccc(-c2ccccc2)cc1	5370027	LAQJBNYMDNEKDO-MFKUBSTISA-N	413.304	5.580	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(COc2ccccc2)cc1)c1ccc(OC(F)F)cc1	38203764	OZDPIJNADPWMFY-QQXSKIMKSA-N	410.420	5.021	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c1C	59104228	JDUYHSJDDFOXTN-HAHDFKILSA-N	422.532	5.150	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c(C)c1	59201908	PTIALQBETKJFPL-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	59410696	YOVSJJDTHNDTON-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
Br[C@@H]1[C@@H](SS[C@@H]2[C@@H]3CC[C@@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100695583	GDJQKRKZFGZASH-WAYOCEBLSA-N	412.256	5.492	50	40	HKGB	
CSc1ccc(/C=N/NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1	106716927	XQIJNICPGCBLAK-ZVHZXABRSA-N	410.926	5.405	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1	408723515	WDKXMGMQEMYRHN-ZVHZXABRSA-N	419.278	5.626	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	408787908	HLRWAFHYYKFIAY-WOJGMQOQSA-N	410.901	5.466	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(O)cc1	408798745	WYFJWLQYPYLBPR-QGOAFFKASA-N	404.853	5.170	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)cc2)c1	408809377	HABBTGFEAYJURM-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	408811086	NKPOJLFVWCHMAE-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)cc1Cl	408983595	MRAHUBNCPFYPAY-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1nc2ccccc2s1	4604743	YYNNIAWKDONJNQ-QGOAFFKASA-N	402.906	6.593	50	40	HKGB	
O=C(/C=C/c1c(Cl)nc2ccccn12)NNc1c(Cl)cc(Cl)cc1Cl	15434514	VZWCJUPXLZPLKI-SNAWJCMRSA-N	416.095	5.104	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)o1	59198786	AJLQEVFOAAALQY-LFIBNONCSA-N	417.421	5.026	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2cccc(Br)c2)cc1OC	107721903	KKUXZDIPFJPORA-TUTDSIAXSA-N	420.734	6.353	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cn(Cc4ccccc4F)c4ccccc34)[nH]c2cc1C	408544192	STFDGSPQYSPZQQ-MOSHPQCFSA-N	420.491	6.386	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1nc2ccc(F)cc2[nH]1	408569699	PMQHZDPLTJPLBD-PTNGSMBKSA-N	405.885	6.571	50	40	HKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccccc3OC)c2c1	408775904	SUCPAJMQYPCYMI-NBVRZTHBSA-N	423.472	5.398	50	40	HKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	408813776	OVNKBHUIYCXGCV-OQKWZONESA-N	410.473	5.376	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1ccccc1F	408876228	NZXIKQBGKIQUNY-DEDYPNTBSA-N	416.452	5.066	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408968253	VADNKXWKJVELSM-MZJWZYIUSA-N	413.443	5.439	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3C)o2)cc1	867494	UVFAJRWIMZVKDN-XSFVSMFZSA-N	414.461	5.286	50	40	HKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1ccco1	3219010	JRWPNQPPRXGTJC-OVVQPSECSA-N	405.457	5.654	50	40	HKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	4837011	ZBDQMGDDMZMSTC-YVLHZVERSA-N	407.325	7.334	50	40	HKGB	
CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC	100044395	LEDIWWJKWAMGLD-UHFFFAOYSA-N	402.798	10.206	50	40	HKGB	in-vitro
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	100860100	GVFMYJGEGCYYFQ-FMIVXFBMSA-N	400.822	5.487	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3nc4cc(C)ccc4[nH]3)cc2)cc1	107920968	VXILKUKISFLICE-ZHZULCJRSA-N	422.488	5.261	50	40	HKGB	
CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408581623	XYMPFNKZAIIDRF-OVCLIPMQSA-N	421.132	5.983	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c(C)c1	408762375	AWEUFFVYENAILL-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2)cc1	409231019	AVYGSXAFYRVVCO-RGEXLXHISA-N	406.348	6.973	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	2271932	SKNSIRUCULIDMB-FOWTUZBSSA-N	407.267	5.563	50	40	HKGB	
N#C/C(=C\c1ccc([C@H]2C[C@@H]2c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	2709922	AGEDWEAXZSVYNK-MFJAVSIHSA-N	423.299	6.403	50	40	HKGB	
COc1ccc(/C=C2/CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OC)cc2)cc1	3885208	JBNLLEISOAYPQS-SZORDPIYSA-N	424.928	5.066	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)c(Cl)c1	4827480	RNKZLUFYFOYFOM-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	9190474	YAAWRSIPRCOFMN-AYQSFACRSA-N	416.521	5.308	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)cc(Cl)c1OCc1ccccc1	9202156	RLRWZODGCHYRMC-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4cccc([N+](=O)[O-])c4)cs3)c2n1	13210279	CZPCKJSZPRZYAZ-SFQUDFHCSA-N	413.462	5.552	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1)c1ccccc1F	33701999	CEHRYHHNRNHFFY-PXNMLYILSA-N	416.254	6.915	50	40	HKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	100860106	CGSBENMNEXQNBW-KGENOOAVSA-N	401.535	6.188	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(C)=O)cc3)o2)cc1	408745370	RBSMKLVKWQXOFC-RGEXLXHISA-N	400.434	5.094	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	408795960	WRMFGLYDPZEWCC-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2cccc(C)c2)c1	408813500	XUAXXQIPBOVMLE-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
C/C(CC(=O)Nc1ccccc1C(C)C)=N\NC(=O)Cc1cccc2ccccc12	4690952	IMMKOZVGRFWUBK-OVVQPSECSA-N	401.510	5.027	50	40	HKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3cccc(Br)c3)cs2)c1	9445084	SNOUBKQKAJKPGX-LFIBNONCSA-N	424.323	5.752	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(OCC)c1OCC	15013331	KZVPTCUAVATZNQ-XDHOZWIPSA-N	424.928	5.720	50	40	HKGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)c1C	30843192	VZPMLKDUPFRJER-WGARJPEWSA-N	422.912	5.065	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Cl)cc1Cl)=N\NC(=O)c1ccc(C(C)(C)C)cc1	100927718	YUDSSVPPYHMFAI-DHRITJCHSA-N	420.340	5.425	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1	209493588	KTWHPMFYPBXMJH-DEDYPNTBSA-N	402.881	5.730	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccc(F)cc2[nH]1	408567909	QILJAKSLYLCVHY-BOPFTXTBSA-N	403.844	5.999	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C	408691665	KUSXWIUZBTZXNH-WQRHYEAKSA-N	416.912	5.713	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1	408745832	AJVGRTUREBLVCE-ODLFYWEKSA-N	407.876	5.110	50	40	HKGB	
CC(=O)c1ccccc1NC(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	408761355	ITSQLBPSCWSFPX-PDGQHHTCSA-N	418.537	5.735	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c1C	408789513	LUPXDPUSDPHLNT-HMAPJEAMSA-N	413.521	5.735	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1cccc(F)c1	408872829	JMIUSVGXCDZBPG-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c1	408984299	GLODVFLOKCHRBG-HZHRSRAPSA-N	410.517	6.045	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)o2)c([N+](=O)[O-])c1	409202079	OPJUKMUQBORRIQ-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccc(OCc2ccc3ccccc3c2)cc1	409250529	QUAZGWOAAJBTQE-QRQIAZFYSA-N	412.464	5.251	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccc(C)cc1	409317697	RJCBNLMLXCSUPG-JLPGSUDCSA-N	405.497	6.800	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4cccc(F)c4)CC(=O)N3C2)cc1Cl	4923507	PLCRITHEBJOOKC-QGZVFWFLSA-N	413.905	5.007	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc2ccccc2c1	20175990	HRERRJFCGCQTBL-QRVIBDJDSA-N	414.505	5.249	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	20764304	LNRQKNSKMXZQIL-WPWMEQJKSA-N	411.505	5.410	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCc3ccccc3)c2C)cc1	408747769	STFSDMSXPDMENM-UQQQWYQISA-N	411.549	5.660	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1F	408872791	IWFHCWYKEYBADC-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)o1	408961535	MXCZNYURJUOMEY-FOKLQQMPSA-N	423.812	5.327	50	40	HKGB	
Cc1cc(C)nc(Sc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)n1	409145310	OCQMBHIOUORMRM-GXDHUFHOSA-N	410.886	5.037	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	409179469	ORSIJUCACWHBBJ-MTDXEUNCSA-N	408.501	5.420	50	40	HKGB	
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)cc1	1453702	QBSMJQCMEQVQQE-CPNJWEJPSA-N	416.502	5.446	50	40	HKGB	
Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N/N=C/c3ccc(Cl)cc3)cc12	2110308	UHGQPIYSKDUCHY-JFLMPSFJSA-N	415.924	5.724	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3ccc(C#N)cc3)o2)ccc1Cl	2881479	XSNABYKNPANBFA-WOJGMQOQSA-N	402.837	5.713	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)c1	4047925	OFIOFGVPNKXIKS-IWIPYMOSSA-N	405.501	6.101	50	40	HKGB	
C/C(=N/NC(=O)c1cccc(Cl)c1)[C@H]1CC2c3ccccc3C1c1ccccc12	5287715	YKJKACREZDJHQB-OADKQIKUSA-N	400.909	5.743	50	40	HKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)c2nc3ccccc3n2C)cc1	9672229	DKYCJRWFUYPPLT-RCCKNPSSSA-N	423.472	5.003	50	40	HKGB	
CCCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3cccs3)cs2)cc1	17270538	ZGHWSKOCJBGTLA-DTQAZKPQSA-N	409.536	5.805	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)Nc1ccccc1	59116748	AIZNIPKGMYPUCA-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(F)cc1	59116803	PQDRIUOYGSISKJ-WQRHYEAKSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)cc1	59335544	DOWORAJCZOXORP-WQRHYEAKSA-N	401.422	5.326	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	59433656	QSGKHYSFFPUQNO-LFIBNONCSA-N	420.852	5.406	50	40	HKGB	
O=C1C=C/C(=N/c2cc3c(cc2Br)-c2ccccc2[C@H]3Br)O1	104262561	WTVONIADQHDGGU-MNTXUITRSA-N	419.072	5.057	50	40	HKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2OC(=O)N(CCCl)N=O	118929737	SALYBQYJYPDVQY-UXTGZGHQSA-N	424.969	5.326	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)cc1)C(=O)Nc1cccc(Cl)c1	408734874	KZMFISHTEKSNTC-WOJGMQOQSA-N	406.844	5.604	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	408805931	CPEOFEJLIVPFJW-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(C)c1	408808137	DTWXUPNQHBPFQE-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc2ccccc2c1	408895450	KPJSRLZQLFKVFC-STBIYBPSSA-N	419.484	5.664	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408985665	XKGYRQIZCHPGPX-BKUYFWCQSA-N	417.940	6.218	50	40	HKGB	
CC[C@@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409023281	WNIJAPOXJXDYLS-ZASWBZMTSA-N	420.896	6.181	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccc(Cl)cc1	409364828	MQBZGDCHVYKHHC-ZDLGFXPLSA-N	414.719	7.290	50	40	HKGB	
Cc1ccc2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc2c1C	786944	ROYQZCOYQQRQJK-NRFANRHFSA-N	411.892	5.876	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)cc1	4132413	KOSLBBGPHASZJI-OVFURWPXSA-N	400.482	5.869	50	40	HKGB	
O=C(Cl)c1cc2ccccc2c2c(=O)c3ccc4cc5ccccc5cc4c3[nH]c12	5479625	UWWJBWHILBDJCO-UHFFFAOYSA-N	407.856	6.520	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2ccccc2Br)CC1	5495976	JENPHJICMONHFV-UHFFFAOYSA-N	411.409	5.391	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2Cl)ccc1OCc1ccccc1	7893771	DLWKGEFMXWDSLC-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
CN(C)c1ccc(/C=C(/C#N)c2c(Br)cccc2Br)cc1	17159572	ZILMSJOTOQOOPU-RAXLEYEMSA-N	406.121	5.342	50	40	HKGB	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	29488469	SVLROZLLHUHSPG-UHFFFAOYSA-N	416.695	5.942	50	40	HKGB	
C[C@H]1CCc2c(sc3nc(/C(C#N)=C\c4cccc(Cl)c4Cl)nc(O)c23)C1	33577308	OFLRFNCSSXLUIE-UVIKPUKZSA-N	416.333	5.893	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(Cl)cc1	96399190	MLOHEKOPOMJDRP-QQXSKIMKSA-N	424.957	5.193	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2ccccc2F)c1OCC(=O)Nc1ccc(F)cc1	107798472	XTBHGDWSWYWLHW-LGMDPLHJSA-N	420.415	5.055	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	408875565	KBTMBYDGEXXIKZ-HYARGMPZSA-N	400.909	6.093	50	40	HKGB	
CC(C)CCO[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615230	ZEBJMSLILQIKBZ-MEBBXXQBSA-N	408.130	5.065	50	40	HKGB	
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12	2090256	LXAJFXNDORPGOV-VULFUBBASA-N	403.844	5.458	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(Cl)c(Cl)c1	3170359	JLRWMNCAVWCEOG-UHFFFAOYSA-N	424.356	7.208	50	40	HKGB	
CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	4794793	WSEWJDIKKILLMT-DTQAZKPQSA-N	407.495	5.203	50	40	HKGB	
COc1ccc(C(=O)Oc2cccc(/C=C(\C#N)c3nc4ccccc4s3)c2)cc1	4966330	ZOPHJTSLAGCKQQ-QGOAFFKASA-N	412.470	5.588	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1	8818289	RUSUJOADKWBDOJ-NTCAYCPXSA-N	422.466	5.102	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1ccc(Cl)cc1	17087517	KAHBZFNQVWHDIG-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	33490970	UHCWMJTZMCQPGP-SILNSSARSA-N	420.472	5.094	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1)C(=O)c1ccccc1	59399075	GUPXWZGGAKKGSS-SFQUDFHCSA-N	422.267	6.002	50	40	HKGB	
C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2C[C@H]1[C@H](C)C2(C)C	101265336	PBYXGDYSESXBPF-ZDQHKECQSA-N	404.591	5.856	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1	408739044	RZZRFGFAMUCOHN-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(N(C)C)cc1	408740748	MEWZNTUCAZHTLJ-MTDXEUNCSA-N	424.548	5.006	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC(C)C)c3)c2C)c1	408774363	ZQLQOAYCFBWGEI-HMAPJEAMSA-N	413.521	5.735	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OCC)c1OCc1cccc(C)c1	408775304	FZTOLVPENWJQAK-UCQKPKSFSA-N	418.537	5.133	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	408886824	MLMHALXCBZEXAH-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)C(=O)Nc1ccccc1	949276	NLNYDLVMTHWPNE-JLHYYAGUSA-N	416.786	6.164	50	40	HKGB	
CCC/C(=N\NC(=O)c1sc2cc(C)ccc2c1Cl)c1ccc(Cl)s1	5792036	ZQQIIQZPFNZVOM-CIAFOILYSA-N	411.379	6.512	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)o1	14407578	WGQRZWMEJGDQTC-FOKLQQMPSA-N	403.265	5.238	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)[nH]c2c1	33682044	QWNUDUVVXQLRGX-LCYFTJDESA-N	404.813	5.757	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C	208210611	SKKXFHYDTSNSPR-CJMVGXJBSA-N	407.945	5.916	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C	260569294	PDATZXXNHFMFTE-LZAZYHHXSA-N	401.554	5.825	50	40	HKGB	
CCOC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3ccc(Br)cc3)o2)c1	408534016	UOJQVMRXVHBICG-AQTBWJFISA-N	422.278	5.950	50	40	HKGB	
COC(=O)c1cccc(Cn2cc(/C=C(/C#N)c3ccc(F)cc3)c3ccccc32)c1	408543971	UDNSAOMMEPWKNO-STZFKDTASA-N	410.448	5.679	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c2C)cc1	408569296	MYIDCMOZADYLDP-STZFKDTASA-N	412.512	6.516	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2OCc2ccccc2)cc1	408803087	LDYDVLBDWBBZHQ-PXLXIMEGSA-N	412.489	5.382	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc2cc([N+](=O)[O-])ccc2o1	408967823	XLMJPZZQAWMJEV-AFUMVMLFSA-N	409.401	5.411	50	40	HKGB	
CC(C)CCO[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615232	ZEBJMSLILQIKBZ-ZUZCIYMTSA-N	408.130	5.065	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	3254344	MLGWRNJXTXERSW-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c(C)nn(-c2ccc(F)cc2)c1Cl	7747398	BDTRVQNUEBCQHS-LFIBNONCSA-N	408.864	5.136	50	40	HKGB	
COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1	19830934	AGPVIIMFWBKRHJ-GAJHUEQPSA-N	404.897	5.234	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)cc1	33919930	BNPHXOIRWCLTSA-VBKFSLOCSA-N	407.520	5.459	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2ccc(Br)cc2)o1)c1nc2ccccc2[nH]1	41155230	ITGTYCLKOLULBJ-ACCUITESSA-N	422.307	6.134	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OCc1ccccc1Cl	59116701	ZFUCOAGFXPOSKU-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
c1ccc(-c2nc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cs2)cc1	100708446	OLBAEAMUFLWMJK-UHFFFAOYSA-N	422.513	5.430	50	40	HKGB	
CCOc1cc(C(=O)Cl)cc(Cl)c1OCc1ccc(Br)cc1	226329037	GCDQRMOMYFFIOP-UHFFFAOYSA-N	404.087	5.459	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(Cl)c1	408598583	FAFXFKFHHDUIGZ-MFOYZWKCSA-N	401.724	7.119	50	40	HKGB	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc12	408735607	UYNUORRFAJELOV-LDADJPATSA-N	404.897	6.074	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1	408745862	VZHNAXAVAQHGAR-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C/c1ccc(O)c(I)c1)c1cccc(C(F)(F)F)c1	408903841	ADBWFRRWTYUIPZ-SDQBBNPISA-N	415.152	5.080	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccccc1F	408936534	KWGJTTCDQBHKSH-JCMHNJIXSA-N	422.459	6.104	50	40	HKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc(F)c1	408999388	CQBDEAMZWRNNPC-SRZZPIQSSA-N	419.275	5.096	50	40	HKGB	
C#CCOc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccccc1	409048654	UDBJDBXGYZIYOX-OQLLNIDSSA-N	417.100	5.288	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)C(=O)Nn2c(C)ccc2C)c2ccccc21	409382986	PWMCFXOIUJBEHG-HYARGMPZSA-N	408.505	5.094	50	40	HKGB	
O=C(COc1ccc(Br)cc1)NN=C1CCCCCCCCCCC1	4372961	NFFXRUFZSAKAQQ-UHFFFAOYSA-N	409.368	5.605	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)C(=O)NC1CC1	5900181	NVBCIDAMNATCJA-XNTDXEJSSA-N	410.304	5.182	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)Sc1nc2ccccc2s1	33393682	VKKJVJJFUHNRMY-XSFVSMFZSA-N	400.528	6.532	50	40	HKGB	
Br[C@@H]1[C@@H](SS[C@@H]2[C@H]3CC[C@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100695579	GDJQKRKZFGZASH-KAYBPYGBSA-N	412.256	5.492	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	212126918	XEFAXSZKFPBQPG-WJDWOHSUSA-N	409.272	6.331	50	40	HKGB	
Cc1cccc(-n2nc(C(=O)N/N=C/c3ccco3)cc2-c2ccc3ccccc3c2)c1	408726765	UIOWKNUHGSSECF-WPWMEQJKSA-N	420.472	5.358	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	408757056	WHVBCNLWLFJYGG-LCYFTJDESA-N	405.679	5.047	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)c(C)c1	409049764	YJNNBMLGLBWDKX-CAOOACKPSA-N	417.336	6.191	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1	409342822	GVVNVCMGIRKTIO-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
CC(C)[C@@H]1C[C@@H](C)CC[C@@H]1OC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2	4031855	XDESLZPXEGCJAM-QWTOCICVSA-N	411.424	5.970	50	40	HKGB	
Cc1ccc(C(=O)NC(C#N)=C(Sc2ccccc2)Sc2ccccc2)cc1	27988137	BQOXSPQOIKDVQU-UHFFFAOYSA-N	402.544	6.002	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1cccc(Cl)c1	58917159	QBZQHAQCFHCOEP-ZZQPOVDQSA-N	411.958	5.378	50	40	HKGB	
Cc1nc2cc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)ccc2s1	97983183	QYDSGUBHVUZGEZ-UHFFFAOYSA-N	424.509	6.414	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)cc2Cl)c(Cl)c1	408741678	RMZPOPSLIBCMET-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1	408743660	WVNILAOCBNUXOL-LGJNPRDNSA-N	424.287	5.208	50	40	HKGB	
CCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3o2)cc1	408761300	DHGGWKJSFXWMFO-HZHRSRAPSA-N	411.527	5.029	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)c(C)c1	408805817	HUOAAXNDDQYGFP-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	408819584	ZLLMPBXZMVKFIG-KGENOOAVSA-N	416.908	6.027	50	40	HKGB	
CCOc1cc(C=C(C#N)C#N)c(Br)cc1OCc1ccccc1Cl	408850624	PTEVQRNVNFPURY-UHFFFAOYSA-N	417.690	5.511	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1F)C(=O)Nc1cccc(C(F)(F)F)c1	408873782	VQPXWCFBTDARLL-CPNJWEJPSA-N	424.397	5.981	50	40	HKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(Cl)c3)c2C)c(C)c1	408931492	MHOKDVBTTMKBPO-MTJSOVHGSA-N	404.897	5.907	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)c2ccc(Br)cc2)o1	408960339	KZXRLHRLYHSQIV-WJDWOHSUSA-N	408.251	5.780	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1C	409240384	TWCCYSOFWFNYSJ-QLTNSANVSA-N	417.940	5.840	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1cc(Cl)cc(Cl)c1	1105147	XLLJHMGCMWLOLE-SSDVNMTOSA-N	406.338	5.155	50	40	HKGB	
C#CCOc1c(Cl)cc([C@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1Cl	2143425	PHOJHDCFSWVGJT-HXUWFJFHSA-N	421.283	5.377	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	5260902	KWNFAJDZHYYNIK-OGLMXYFKSA-N	409.533	5.751	50	40	HKGB	
Cc1cc(C)n(Cc2ccc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)cc2)n1	8781341	AARUHLXKMAJYFU-WPWMEQJKSA-N	424.504	5.104	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)c1C	16162375	PQRJFJQAXMQSMY-HMAPJEAMSA-N	413.521	5.519	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccccc1Cl	59117213	WSGRUMQBXIOLFZ-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
CO/C(=C\C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118925228	OVHOXMZYAGSYNN-KYDYTWJXSA-N	402.575	5.306	50	40	HKGB	
C[Si](C)(C)O[C@@](CC(=O)c1ccccc1)(c1nc2ccccc2s1)C(F)(F)F	195565839	AITFEJMQSMWCLD-IBGZPJMESA-N	423.532	6.178	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	209605355	UUEFFCWAORSJPH-WGARJPEWSA-N	401.897	5.415	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)c1	223502720	BAVVTDMUDIWBKU-CVKSISIWSA-N	405.542	5.178	50	40	HKGB	
CC(C)[C@@H]1CCC(=O)C[C@@H]1CCCC[C@H]1CC(=O)C[C@@H]1O[Si](C)(C)C(C)(C)C	263612477	YFMIIKKOFCPZSV-ZZTDLJEGSA-N	408.699	6.558	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)o1	408735772	XIFWVPJFXUJYNY-RVDMUPIBSA-N	421.840	5.671	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1CC=C	408763186	OBLPEFHWZILHJM-AQTBWJFISA-N	423.310	5.288	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408864312	YLVPQMFIFIZRHA-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1	409011865	OQCVCKPAISBPNU-ZMOGYAJESA-N	401.293	5.699	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1C	409107169	QQKLBUHCPXHLTI-VULFUBBASA-N	423.969	5.670	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)[nH]c2c1	409393232	WFDMRZXVIMBPLV-PDGQHHTCSA-N	422.463	5.778	50	40	HKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1Cl	2283936	AZOYNIZTXZIEDF-PTNGSMBKSA-N	419.893	5.855	50	40	HKGB	
CCCCSC1=C(C#N)[C@H](c2ccccc2Cl)C(C#N)=C(c2ccccc2)N1	2310528	OOFJGYDVGZOPHI-OAQYLSRUSA-N	405.954	6.230	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)o1	2792891	BIMPFANXOYQUJQ-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cccc([N+](=O)[O-])c1	3177221	NGDKCZDNISHWRF-UHFFFAOYSA-N	400.463	5.809	50	40	HKGB	
C/C(=N\NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1	4155284	KDVRLZNPYJJPBR-FIKYGGOLSA-N	401.293	5.454	50	40	HKGB	
O=C(c1ccccc1)[C@@H](Br)[C@H](c1ccccc1)[C@@H](c1ccccc1)[N+](=O)[O-]	4416977	KPIWQKFMJGVSBC-PCCBWWKXSA-N	424.294	5.435	50	40	HKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Cl)cc3)c2C)cc1	4738970	HJLIXZLULLZPOS-STZFKDTASA-N	404.897	5.988	50	40	HKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	8927173	VQNIVSSAFHLINN-JLHYYAGUSA-N	416.384	5.714	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1	13424415	FUNPXAWEXWCZMI-KAMYIIQDSA-N	410.430	5.233	50	40	HKGB	
CCOc1ccc(OCc2ccc(C(=O)N/N=C3/CCCc4ccccc43)cc2)cc1	33498366	KQILBWILDJEACG-RFBIWTDZSA-N	414.505	5.135	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C	223597461	MAICFNVKOVOKST-YTLMXASBSA-N	415.581	5.719	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1	408583184	SGJZELIQUQAGDM-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
N#C/C(=C\c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(Cl)cc1	408756425	VCCUZQBXUOQNSF-XMHGGMMESA-N	411.892	5.998	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408924913	PMPJISOGCZLTLV-RQZCQDPDSA-N	410.304	5.947	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)o1	409000854	NKWUUMDPAROPSA-LFVJCYFKSA-N	407.539	5.182	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	1098405	JWCREBCDFDVDRO-MWBJOKRYSA-N	413.315	5.311	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@H]1c1ccc(Cl)cc1	2277075	MUFRDFAWCLSHJZ-XOBRGWDASA-N	411.288	5.202	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1)c1ccc(C(C)C)cc1	4402224	SEIGNEVDAVFCRY-VFCFBJKWSA-N	422.613	6.443	50	40	HKGB	
C/C(=N\NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2ccccc2c1	5725229	JYDCOUAIADUHMR-OVVQPSECSA-N	419.956	5.246	50	40	HKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1c2ccccc2cc2ccccc12	20248597	SBEZOCKYUUFPGU-VULFUBBASA-N	418.949	6.030	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3cccc(Br)c3)c2)cc1	59410764	VNEDUEZXNDYVDA-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
FC(F)(F)C(=C(S[C@@H]1CCC[C@H]1Cl)C(F)(F)C(F)(F)F)C(F)(F)F	107509317	LQCMDVGAQUXIOF-RFZPGFLSSA-N	416.683	6.456	50	40	HKGB	
N#C[C@@H]1[C@H](C(=O)c2ccccc2)c2ccccc2[C@H](Br)[C@H]1Br	256055661	OUUVCVLNYJJKPE-NCOADZHNSA-N	419.116	5.006	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1	408538808	BZLDGRYGWDNANG-HEHNFIMWSA-N	412.371	7.253	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2cccc3ccccc23)ccc1OCc1ccccc1	408748291	BLEUWVVTYQQEER-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc2ccccc2c1	408781170	AHYHWJZJDMTDLR-MYYYXRDXSA-N	410.517	5.579	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1-c1ccccc1	408785900	JLEGCQAMVSJVMX-MOHJPFBDSA-N	417.512	6.307	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1)c1cccc(Cl)c1	409121770	ZYHSPXIVWHELCI-XKZIYDEJSA-N	411.870	5.163	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccccc2)o1	409202695	SYEWEZCNGJPWLQ-CIAFOILYSA-N	402.928	5.327	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)n1	409387083	NOXKCIKDWWHPCL-HZHRSRAPSA-N	407.473	5.480	50	40	HKGB	
Cc1cccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3Cl)o2)c1C	13945575	NCUJJLNLKPFKEC-MYKKPKGFSA-N	417.292	5.399	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)ccc1Cl	252483078	DUIPPZXYPSQMHA-FOWTUZBSSA-N	420.852	5.322	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccc(Cl)cc1	408871914	ZMFPAZNADGCADG-XMHGGMMESA-N	407.300	6.130	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc2ccccc2c1	408880730	KPXWCTGQMCDCRB-OGLMXYFKSA-N	403.485	5.607	50	40	HKGB	
N#C/C(=C\c1ccccc1Sc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1	409230706	FSMCNAQZGPVLBJ-GHRIWEEISA-N	424.447	6.402	50	40	HKGB	
CC(C)(CCl)C(=O)Nc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1	3104471	JPUOEMJSQMNFID-UHFFFAOYSA-N	407.219	5.750	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSc3ccc(C)cc3)cc2)cc1	4520373	OVVUMHMKFAVFSH-MFKUBSTISA-N	404.535	5.125	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(C)cc1C(C)C)c1ccc(C2CCCCC2)cc1	5681455	BLFKIVIFOHXAHU-NHFJDJAPSA-N	406.570	6.085	50	40	HKGB	
Cc1cccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc4ccccc34)cc2)c1	6478830	CRVMAWUBZISPAB-QJOMJCCJSA-N	418.496	6.230	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)c([N+](=O)[O-])cc1C	15009369	FVZBPWDMNLAERB-GZTJUZNOSA-N	412.449	6.029	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1	59296890	FEYSINPKZMIGSZ-KGENOOAVSA-N	416.908	6.027	50	40	HKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1	59334098	BZWISCZWOQIMAH-AUWJEWJLSA-N	409.700	5.221	50	40	HKGB	
Cc1cc2c(cc1/C=N\NC(=O)CCc1ccccc1)[C@@H](C)CC(C)(C)N2C(C)C	223592896	SXRQMJJGTRHUGV-XIAMHYJPSA-N	405.586	5.579	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)NCc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C	223597525	MAICFNVKOVOKST-XBPUZACXSA-N	415.581	5.719	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)cc1	408795756	WDDLTKUHGBMOQD-KOEQRZSOSA-N	418.496	6.273	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	6230015	GJBHJJGJYYQKIT-AFUMVMLFSA-N	404.853	5.526	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc4cccc(C)c4nc3Cl)n2)cc1	8400177	ZBGIIVGLOZMPJW-WOJGMQOQSA-N	417.921	6.393	50	40	HKGB	
CCOC(=O)C1=C(C)NC(SCc2ccc(C)cc2)=C(C#N)[C@@H]1c1cccs1	19851516	TWMJYFOAXQDNRW-HXUWFJFHSA-N	410.564	5.249	50	40	HKGB	
C[C@@H]1C[C@H](N[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1	95676463	RTTSRQHDBYZLNL-TYBLODHISA-N	421.521	6.097	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCC(C)C)c(Br)c2)cc1	408600711	FIGOKEOWOOVNSO-LICLKQGHSA-N	413.315	5.338	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1Br	408879324	DGQGWTXYEIYHTK-SFQUDFHCSA-N	413.315	5.346	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1cc(C)cc(C)c1	408896559	RYURRGSTYSECLM-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1	3251183	RTVATROXQAEPGJ-AFUMVMLFSA-N	408.954	6.013	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)COc2ccc(-c3ccc(C#N)cc3)cc2)cc1	3281601	AMPSYYNTMKETHM-OGLMXYFKSA-N	411.505	5.052	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(Cl)cc4)CC(=O)N3C2)cc1C	4922402	DIDJKOVBQHABJA-LJQANCHMSA-N	409.942	5.176	50	40	HKGB	
C/C(=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1)c1ccc(C(C)(C)C)cc1	5288751	KDJDHULYDKLUKF-MIAXLKPRSA-N	410.561	5.831	50	40	HKGB	
Cc1ccc2c(Cl)cc(Cl)c(O/C(=C/C#N)c3ccc([N+](=O)[O-])cc3)c2n1	6333297	IDOJRQCOKWCIBM-CAOOACKPSA-N	400.221	5.702	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c3ccccc32)c1	6565453	LBPBDEFTELYTNI-STZFKDTASA-N	402.501	6.247	50	40	HKGB	
Cc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1F	11853095	CFFURIBECIZKDR-UVTDQMKNSA-N	414.303	5.997	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1OCc1cccc(C)c1	15226196	NUYRXGUNYUECKK-QUKQKWKMSA-N	418.537	5.185	50	40	HKGB	
N#C[C@H](c1ccccc1OCc1ccccc1)N(C(=O)CCCCl)c1ccccc1	26895958	KCKSEFOJIWGQOX-HSZRJFAPSA-N	418.924	5.882	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c1C	59202048	CKNZAGRABXTTTE-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
N#C/C(=C/Nc1ccccc1C(F)(F)F)c1nc(-c2ccc3c(c2)OCO3)cs1	100935574	SEXJPXIZIACRFK-LCYFTJDESA-N	415.396	5.534	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccccc3C)cc2[C@H](C)CC1(C)C	208328617	OZMCRGFBZFBBIV-UOIFGXKSSA-N	401.554	5.961	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2c(C)n(C)c3ccccc23)c1	408809329	GQKHTDRGVSXHRB-UHFFFAOYSA-N	418.928	5.312	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1c(C)cc(C)cc1C	408814200	OGHFUXRKIONBLP-BOURKTIISA-N	420.553	5.411	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cccc(Br)c2)c1C	408968201	URRXHUMWMOITSJ-ZVHZXABRSA-N	424.342	5.183	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1	409186920	JOAYXPRYKQRQJN-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1	9445085	UAGIFCNHADCCTH-XNTDXEJSSA-N	414.317	6.296	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1	39884517	RUTFLLXYPYKTFX-RVDMUPIBSA-N	411.288	6.416	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	59335483	IIQFOZCKSIQQNH-WQRHYEAKSA-N	407.876	5.741	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)cc21	208471496	ITTASZJMFQFFCK-GRSHGNNSSA-N	419.956	6.134	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[C@@H](C)CC1(C)C	223548754	RYWIOWXHPVDJHQ-CVHFWEDTSA-N	401.554	5.411	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1Cl)c1ccc2ccccc2c1	253562863	DTHXYINSWCHMBE-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	408538137	JRGANLNNOFJIFI-NKFKGCMQSA-N	404.554	6.588	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)Sc1nc2ccccc2[nH]1	408598429	AFMVIIVTMYQQEF-RVDMUPIBSA-N	412.312	5.547	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)c3ccccc32)cc1	408598482	BHUVRIBIDLALMW-KGENOOAVSA-N	420.541	6.531	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccccc2)ccc2ccccc12)C(=O)NCc1ccco1	408735494	SVXJOQSPPHHDEY-RCCKNPSSSA-N	408.457	5.235	50	40	HKGB	
N#C/C(=C/c1cc(Cl)cc(Br)c1O)C(=O)Nc1ccc(Cl)cc1	408746421	SOPZPTJDFQWQTQ-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408748231	ANINRZYBWBVACQ-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1	408824472	HTCFUWFGNVVXSD-HAVVHWLPSA-N	424.500	5.685	50	40	HKGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1Br	409244687	HGLWCZQQGFHWAH-JQFNYASXSA-N	413.315	5.021	50	40	HKGB	
CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1	664576	MBQJDIYLBHPERQ-GOSISDBHSA-N	404.901	5.246	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1	1903535	MPHLLDRAAUDWHJ-OQKWZONESA-N	413.473	5.567	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1C	2265015	VOEHWWOUPIKBLA-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc3c(c2)OCO3)cs1	4995862	YPQQQRFNDAEECQ-VGOFMYFVSA-N	400.381	5.622	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1cccc(Br)c1	33854010	UXWWRSDLVOCJCT-JAIQZWGSSA-N	402.295	5.793	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)cc1	252498370	RAFDLJQZMYHTSL-GHRIWEEISA-N	401.422	5.271	50	40	HKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccco3)cc2-c2cccc3ccccc23)cc1	408728048	ZKPJHQCTKRJQEZ-WPWMEQJKSA-N	420.472	5.358	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1C	408885138	XDOCQEOUMAZTHP-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3c4ccccc4cc4ccccc34)cc2c1	409185343	XOVOZTZUQFHZPP-YUMHPJSZSA-N	408.457	5.902	50	40	HKGB	
Brc1ccc2c(c1)C(Br)c1cc(Br)ccc1-2	1580940	ZCXOPTLCZITEIN-UHFFFAOYSA-N	402.911	5.676	50	40	HKGB	
CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](N=C=S)[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	12662028	OTQCKYVOOJVJQT-MKRNTKKCSA-N	415.599	5.167	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1sc2c(c1C#N)CCCC2	34746846	YBLHRNDEYLCDFJ-KPKJPENVSA-N	402.306	5.351	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2[C@@H](C)CC1(C)C	223531828	XJPSIHFGTQBPKR-PKIWBCANSA-N	401.554	5.961	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(Br)cc1	408746757	GRIKHBDHJOTBNL-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1F	408965285	VHBFFVYCKFPRBR-RPPGKUMJSA-N	403.379	5.016	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1C(=O)O	409203901	ZSBDOQYLIRAEBQ-PDGQHHTCSA-N	421.294	5.619	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	409232181	OMBHNYUGVZSVNS-JXAWBTAJSA-N	404.922	6.345	50	40	HKGB	
CCSC1=C(C#N)[C@@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2312508	LHGYOCOXULRRSP-HSZRJFAPSA-N	416.546	5.448	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(/N=N/c3ccc(C)c(C)c3)ccc2O)c(Cl)c1	4680568	XUQSZCFKKZOYAF-ZGQMNJRFSA-N	420.900	6.150	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1	6355088	KJDOPIWWNCRWHS-ULJHMMPZSA-N	405.497	6.882	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(F)c1	59201654	DIJKTOKNSXAJHH-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	59335063	NCEXXLMEQPOXRQ-UVTDQMKNSA-N	407.813	5.362	50	40	HKGB	
C/C(=N/NC(=O)COc1cccc(Br)c1)c1ccc(-c2ccccc2)cc1	96398869	WFVHROYYVCPDPW-JLPGSUDCSA-N	423.310	5.035	50	40	HKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N\NC(=O)c3cccc4ccccc34)o2)c1	408569191	ZKRGXFJJNUTXHM-QQXSKIMKSA-N	412.445	5.040	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408812464	LWHLDYVHHQFQKD-XRXWLHDISA-N	413.861	5.110	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)c1	409233363	FVUMMIWXOXQUDW-UQQQWYQISA-N	411.549	5.367	50	40	HKGB	
O=C(NNC(=O)c1sc2ccccc2c1Cl)Nc1ccc(Cl)c(Cl)c1	1088524	WPVKVNGQNFCQBX-UHFFFAOYSA-N	414.701	5.328	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ncccc12	2632859	FMNXJRNKULOSFW-PGMHBOJBSA-N	405.457	5.359	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3081799	ZNDXUSWGIPONLJ-VULFUBBASA-N	423.299	6.099	50	40	HKGB	
Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)cc1Cl	4149581	COYDCHALQZQXSK-UKTHLTGXSA-N	404.813	5.757	50	40	HKGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1)c1cccc(Br)c1	5369675	UWXKZUUAIKXRFJ-JMVLLECOSA-N	413.359	5.391	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	6570414	UUFHEJLJIIATGW-CJLVFECKSA-N	405.501	5.798	50	40	HKGB	
O=C1CCC/C(=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)C1	101560561	SJFDEILWVOQISS-QYQHSDTDSA-N	412.489	5.162	50	40	HKGB	
C[C@]12CC[C@@H]3c4cc(CN(CCCl)CCCl)c(O)cc4CC[C@@H]3[C@@H]1CCC2=O	104388255	YOJVFPIMXJSMJL-JPPTWICTSA-N	424.412	5.097	50	40	HKGB	
CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCBr)cc1	225749328	IQDHGXVPMVQAJF-LJQANCHMSA-N	400.357	5.164	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1	408583904	YODXMHWXJSFLOD-XDHOZWIPSA-N	420.852	5.900	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	408874873	BQHNHNIFIFNHOZ-CPNJWEJPSA-N	407.300	6.130	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)o1)C(=O)Nc1ccccc1	408993871	XPIWJXHEOXQHCZ-WYMLVPIESA-N	403.488	5.586	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)c1	408993880	XSJRNMQAHILPNI-NTCAYCPXSA-N	417.515	5.895	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OCC	23162708	JIJXKAIWNKNUIX-XNTDXEJSSA-N	424.298	5.353	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	59116925	JOYULYUXBOBNSA-ZHZULCJRSA-N	402.881	5.773	50	40	HKGB	
Clc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@@H]3Br)cc1	100019282	RUXRATSOLYSMAL-WQANXHIZSA-N	408.792	5.469	50	40	HKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	408580342	OQHXKAQXPNJUAZ-QGOAFFKASA-N	423.299	6.075	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3-n3cccc3)c2C)cc1	408753141	IAZUOXASMUGQQF-OVVQPSECSA-N	410.521	5.211	50	40	HKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	408805988	DLWFZBWZNADFLB-NTEUORMPSA-N	419.706	5.435	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1	6389506	KQFIGVOOYWTXDL-UYRXBGFRSA-N	419.912	5.692	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSCc2cccc(Cl)c2)c(C)n1-c1ccccc1	58926696	WPCGQGIHXMQAIU-ZMOGYAJESA-N	411.958	5.131	50	40	HKGB	
c1ccc(C2=C([PH](c3ccccc3)(c3ccccc3)c3ccccc3)CCO2)cc1	104145494	ADLZEBURXFYLMQ-UHFFFAOYSA-N	408.481	5.502	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c2C)cc1	408742537	ARQKYJJDVAPBRW-ULJHMMPZSA-N	411.549	6.291	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(C(F)(F)F)cc1	408785465	ZFFVILXRUZZJBC-KAMYIIQDSA-N	411.408	6.390	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)cc1	408869145	PEDRQPUPRNFZQE-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1cc(C)cc(C)c1	408883009	SMYQLBUGVIFSPD-LPYMAVHISA-N	412.489	5.154	50	40	HKGB	
O=C(N/N=C/c1cc(Br)c(Sc2ccccc2)o1)c1ccccc1F	409000395	YAAOPKJGQIEDMP-SRZZPIQSSA-N	419.275	5.096	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)o2)c(Br)c1	1082781	GUCJBXMPTXMUOZ-NTCAYCPXSA-N	407.267	5.563	50	40	HKGB	
C=C(/C(C#N)=C/c1ccco1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	6158209	SCERVWDTCBELFJ-GZTJUZNOSA-N	410.304	6.296	50	40	HKGB	
Cc1ccc(/C(=C/C=C(C#N)C#N)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1	8636838	LARAPLOMUKYAFK-AQHIEDMUSA-N	423.347	5.438	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	10475786	CBQXTHNXNATDKB-VULFUBBASA-N	416.399	5.057	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)[C@H](Br)C2=O	100868203	UDOMTLSWGZGSJW-CSMYWGQOSA-N	419.146	5.091	50	40	HKGB	
FC(F)C(F)(F)CO[C@@H]1C[C@](F)(C(F)(F)F)[C@](F)(C(F)(F)F)C[C@@H]1Cl	230158416	GXGLHNCRLZGEBB-CCCGMHFHSA-N	420.621	5.214	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1	260565055	GNVKJYRARUGFLX-LZAZYHHXSA-N	401.554	5.825	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(OCc2ccccc2)c1	408803470	PGUGXGQKQXEKCM-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	408815304	PZFSVFCADAWLPI-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)c(C)c1	408876452	LJUWPGFPSRMNFQ-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409192278	ALPLUXXZVYRSMV-KIHMUJGBSA-N	409.711	5.044	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc2c(c1)OCO2	409366175	SURHMQLSYWMLLF-UCQKPKSFSA-N	405.453	6.212	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1N/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	4333713	YDVOHLQXGUATSM-CPNJWEJPSA-N	418.522	6.202	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3cc(Cl)c(Cl)cc3Cl)o2)cn1	5547519	PDGUZCCDQJFCET-AQHIEDMUSA-N	408.672	5.374	50	40	HKGB	
CC(=O)Nc1sc(/C(C#N)=C/c2ccccc2[N+](=O)[O-])nc1-c1ccc(C)cc1	26533327	CNYQNXRNFUQXAY-GZTJUZNOSA-N	404.451	5.049	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1ccccc1F	34688209	QLYCDZVWQYISSH-SXGWCWSVSA-N	416.254	6.915	50	40	HKGB	
Cc1ccsc1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	58916005	FZVLRKFTEUWMCY-WSDLNYQXSA-N	400.956	5.766	50	40	HKGB	
COc1cc(SC#N)ccc1N/C=C1/C(=O)N(c2cccc3ccccc23)N=C1C	101122480	LTAWGEYKFRQNPH-CPNJWEJPSA-N	414.490	5.140	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2CC	208311347	UJIDMGBJUUOUIW-MKYLKIGJSA-N	401.554	5.907	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C	223546552	GTMUPDMNSNKVGF-GTPWMTBTSA-N	407.558	5.268	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)C(=O)Nc1ccccc1Cl	408782471	IWEHMSJJWZSAEV-QBFSEMIESA-N	420.881	5.506	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)cc2Cl)c1	408870184	VJXJSPJMQBRGJH-YDZHTSKRSA-N	414.936	6.402	50	40	HKGB	
N#Cc1c(Cl)nc(NNC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)c1Cl	1418729	RHXUIBGRYULQRT-UHFFFAOYSA-N	424.597	5.081	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(N)=S	3375124	QBJHZUGEDJYYQT-BKUYFWCQSA-N	400.503	5.038	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1Cl	5683853	DMBLXGKGYQVYIZ-OGLMXYFKSA-N	413.908	6.018	50	40	HKGB	
Cc1[nH]c2ccccc2c1/C=N/NC(=O)CCCOc1ccc(Cl)cc1Cl	5881630	JWBGQOUCHFGPGQ-FSJBWODESA-N	404.297	5.092	50	40	HKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc3ccccc3c2)cs1	13402365	PUYICUDGWAGYHG-YBFXNURJSA-N	417.331	6.790	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccc(F)cc1	59116769	YEFQTZVGZLEQTA-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2[C@H](C)CC1(C)C	208304473	QZQREMDDVZJDIN-NXYZXBHKSA-N	423.944	5.962	50	40	HKGB	
COc1ccc(CC(=O)N/N=C\c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)cc1	223612884	TXASVDGWDYUISZ-FDMOBFIZSA-N	421.585	5.197	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(C)cc1	408540006	LRMDLCYUGDFSJN-UQQQWYQISA-N	400.950	6.152	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccc(C(F)(F)F)cc1	408754282	PSFFAIUTPSHESB-ZROIWOOFSA-N	417.770	6.381	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	409382139	YMHDYPKPTBEXQU-ZROIWOOFSA-N	400.265	5.349	50	40	HKGB	
COc1cc(C=C(C#N)C#N)cc(Br)c1OCc1cccc2ccccc12	805297	IPHYNRLGQOYUJO-UHFFFAOYSA-N	419.278	5.620	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(C2CC2)nc2ccccc12	2319406	WDJOXXXEPCWROA-STBIYBPSSA-N	415.496	6.183	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c2ccccc21	4663602	QXWRLKKNESLZGG-HZHRSRAPSA-N	405.501	5.221	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)nc2c1	5028027	FMHLJMYFBCUWST-ZROIWOOFSA-N	403.825	5.547	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	20764187	DVWXPZWRDOCXOS-JVWAILMASA-N	411.505	5.161	50	40	HKGB	
CC1=C(C#N)[C@@H](c2cccc(OCc3ccccc3)c2)C2=C(N1)c1ccccc1C2=O	25337904	SDEITIATCJVRIK-XMMPIXPASA-N	404.469	5.358	50	40	HKGB	
CCSc1nc(C)c(-c2csc(/C(C#N)=C\C=C\c3ccccc3)n2)cc1C#N	27490365	WEUGCRPKVKVLDN-YJMOAXFXSA-N	414.559	6.118	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1cccs1	32914605	KKYLBMVNARJZHT-CJLVFECKSA-N	403.510	6.818	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1	40007538	BMMNQVTVLLSCGI-GNFOSXPUSA-N	400.453	5.189	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3C(F)(F)F)o2)cc1	59220109	BACXZIGQBQGZEK-WYMLVPIESA-N	412.367	5.520	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	59245233	MRTZBKULPBZKJI-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)C)cc1	408746601	SYZZQOWRZYPMHB-STZFKDTASA-N	417.940	6.417	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1	408797635	SILVLGKUZWOKBB-YBFXNURJSA-N	420.871	5.912	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1	408805897	MCLZNEVKHFWMHO-OGTCDWKQSA-N	405.501	5.474	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccccc2)c(Cl)c1)c1nc2ccccc2o1	409048171	QWCJHFUOEHQODJ-LICLKQGHSA-N	421.283	6.778	50	40	HKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	409048767	TZLDKEWURSSGLE-VGOFMYFVSA-N	423.727	6.227	50	40	HKGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	409065090	GBKCKRRHWCCBTR-CPNJWEJPSA-N	420.896	5.025	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc2c(c1)OCO2	409362352	JCRMBHXVSVQRRB-UCQKPKSFSA-N	405.453	6.212	50	40	HKGB	
O=C1c2ccccc2SC[C@@]1(Br)[C@H](Br)c1ccccc1	2564991	IHBUJLFYGZHNCO-GDBMZVCRSA-N	412.146	5.245	50	40	HKGB	
N#C/C(=C\c1ccccc1OCCOc1ccccc1)c1ccc(Cl)cc1Cl	6282779	VAVFGPKCHNZVCN-NBVRZTHBSA-N	410.300	6.515	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(Br)c1	9311116	LEMPAAFHYZJZOA-ONNFQVAWSA-N	412.070	5.007	50	40	HKGB	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	26687036	CODDMKHOSFPYPY-BOPFTXTBSA-N	418.301	5.900	50	40	HKGB	
COc1ccccc1N=[P@](C)(c1ccccc1)c1c(C)nn(-c2ccccc2)c1C	102132622	CWXAJPPOSIAAFE-SSEXGKCCSA-N	415.477	5.611	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N\NC(=O)c3cc4ccccc4o3)cc21	223491548	BTWVXFUYIFHOTG-YSMPRRRNSA-N	401.510	5.607	50	40	HKGB	
O=C(N/N=C/c1c(O)ccc2ccccc12)c1ccc(CSc2ccccc2)cc1	408777083	VIQICLOOOREEOU-WGOQTCKBSA-N	412.514	5.602	50	40	HKGB	
CCc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1	408856643	KLKOSVJQTJIZAI-USHMODERSA-N	407.517	5.779	50	40	HKGB	
CN(C)c1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1	409016268	GEIJIRNTOXODQT-LPYMAVHISA-N	415.971	5.383	50	40	HKGB	
O=C1C(=C(c2ccccc2)c2ccccc2)[C@@H](Cl)C(Cl)(Cl)c2ccccc21	1782860	LKXUZGZYLQQIPF-JOCHJYFZSA-N	413.731	6.623	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(C(C)=O)cc1OC	1857042	RDWIJYHGORQSTL-RVDMUPIBSA-N	423.469	5.146	50	40	HKGB	
N#C/C(=C/c1c[nH]nc1-c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	4113122	YDOXBQXVDGRCSF-JYRVWZFOSA-N	416.790	5.295	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	4645083	FQFJOQKXXRNEEW-BOPFTXTBSA-N	400.459	5.379	50	40	HKGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	4724547	RFZSEVOBOGHIBK-MJMCROFVSA-N	404.510	5.022	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc(O)c3ccccc3n2)c(C)n1-c1ccc(Cl)cc1	4864822	BBFACRXMAJLMBP-SFQUDFHCSA-N	400.869	5.461	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)o1	33733334	PMGDQBMLAGXUGV-MFKUBSTISA-N	419.481	5.154	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1	40888784	YYXYNUBNXKXWGH-WPWMEQJKSA-N	400.522	5.635	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	59117052	LRDUIMVRVZWNKY-MDWZMJQESA-N	405.679	5.047	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1C	59291903	HKJPBGIDGFSMJI-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
O=P(Cl)(Cl)Oc1ccc(Cl)cc1C(Cl)(Cl)c1ccccc1	100356057	ZPIKXBUGFVUWNV-UHFFFAOYSA-N	404.444	6.983	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1nc2ccc(F)cc2[nH]1	408569813	QDGAGOFBAGOYEJ-BOPFTXTBSA-N	414.396	5.253	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc3ccccc3c2)cc1	408745918	WKXVLXXDTUVJFP-XYGWBWBKSA-N	418.496	6.273	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408754627	NZVZEKYUOBORDY-FOKLQQMPSA-N	403.265	5.334	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3C)cc2Cl)c1	408791440	XOSDXQZTGXCHIE-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2cccc(Cl)c2)c1	408815410	WSUAMEKKBCLPBZ-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c1	408881737	MKHQHPBSLWRJES-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)o1	408959685	DEEJIOOHRXXZRJ-AUEPDCJTSA-N	417.248	5.024	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccc2ncccc2c1	408964522	CZBUGVYJGGFDRH-MTJSOVHGSA-N	417.434	6.725	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2)cc1	409245203	OYVYIVGEZNWHOW-OVVQPSECSA-N	410.542	5.992	50	40	HKGB	
Cc1c(/C=C(\C#N)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccccc1Cl	409357099	ISTVEKKWSWNBHU-XSFVSMFZSA-N	417.339	7.369	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C#N)cc3)c2C)cc1Br	409369135	DOOBMOWQNXPPPJ-NHDPSOOVSA-N	416.322	6.101	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	1435616	RJPPRPAVLJSGHY-RPPGKUMJSA-N	416.399	5.111	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1Cl	28217392	OALFACAUVWLCCK-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12)c1ccccc1Cl	33859893	DMBLXGKGYQVYIZ-QRQIAZFYSA-N	413.908	6.018	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c1C	58927261	NMVCESMPDGDWSC-PXMCARDJSA-N	405.567	5.175	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C\c1ccccc1O	101674220	KNNZLNWNAKCXSP-ROMGYVFFSA-N	402.623	7.104	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)c1	408884982	WIDQXRFXXSXKFO-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)o2)c1	409000210	MXSOEPJHVVUJEB-LFIBNONCSA-N	420.852	5.241	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)cc2Cl)ccc1OCc1ccc(C)cc1	409055581	ZNPWRYCGDRCXHC-VULFUBBASA-N	422.912	5.308	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1cccc2ccccc12	409179094	JYFRTDNWZFAJCF-WGOQTCKBSA-N	422.513	5.518	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(-c4ccccc4)cc3)ccc21	1905078	UULYUADBLPJKRH-VUTHCHCSSA-N	417.512	6.245	50	40	HKGB	
CCC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(C)s2)cc1	2728775	KRYKGYYOVJLSEZ-SRRANQMSSA-N	423.376	5.252	50	40	HKGB	
CC(C)(C)c1ccc(OCCOc2ccccc2/C=N/NC(=O)c2ccccc2)cc1	4603129	JRSMOYRVKYUFCS-ZXVVBBHZSA-N	416.521	5.206	50	40	HKGB	
CCCOc1ccc(C=NNC(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)cc1	20010558	KNMUKTIFQMXVNJ-IBGZPJMESA-N	402.494	5.060	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	28217503	FDYYXFFADGGSSZ-FSJBWODESA-N	401.297	5.557	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc(F)c1	33717868	UOUYZZHSSIQELX-MFOYZWKCSA-N	411.835	6.270	50	40	HKGB	
O=C(CBr)c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1	39268206	FWKNVYGFFGCWQY-UHFFFAOYSA-N	411.295	5.422	50	40	HKGB	in-vitro
CCN1c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2C(C)=CC1(C)C	208507278	ZYVSFALBIDRXCR-JVWAILMASA-N	413.521	5.331	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)o1	408599614	XMILSRZGVRKEJB-ZVHZXABRSA-N	405.454	5.225	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1ccc(Br)cc1	408853934	SZVGUAJDUVAYDR-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408880756	IKWQEYFIHOAVPB-STPJHCLOSA-N	424.953	5.550	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	408888344	ULCPWXGYYBMMAH-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)cc3)s2)cc1	2669463	PCMCWUGIJRVLKC-DEDYPNTBSA-N	417.534	5.377	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)cc1	2801883	NUCOSZVIUBAWJS-LQKURTRISA-N	421.500	6.066	50	40	HKGB	
O=C(N/N=C1\CC2(c3ccccc31)C1CC3CC(C1)CC2C3)Nc1ccc(Cl)cc1	5738865	YMEABMHHAOQRPY-WEMUOSSPSA-N	419.956	5.963	50	40	HKGB	
CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@@]1(C)C(=O)N/N=C/c1ccc(Cl)cc1	6393159	HMFYWVPVGYBNMK-ZNAWXXFOSA-N	408.933	5.277	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc2ccccc2s1	8382111	CKSNUHLKQQDHNK-LFIBNONCSA-N	405.460	6.121	50	40	HKGB	
COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)cc1	17113303	RXRWXPZGAJWJIC-XSFVSMFZSA-N	417.534	5.772	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1C	59432710	LRJPJLRBIVTRMI-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CCCCCCCCCCCCCCCCCCCC/C=C\[C@@H]1CC(=O)OC1=O	100019653	WYSMQSIDRZXTBU-GFXIQCROSA-N	406.651	8.064	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c1	208243360	NTEBENLKVPLGBP-MBBOSUJBSA-N	423.944	5.616	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1	223557520	PMHASKYYRJNGOJ-HBEGMLAUSA-N	415.581	6.295	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c1C	408591852	VQLHBFTWJMKOMZ-WPWMEQJKSA-N	401.554	5.393	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409070400	ZDKGAUHVYYLYPZ-LGMDPLHJSA-N	420.921	6.045	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccc(Cl)cc1	409194682	QDXPLZRLPATJEN-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Cl)cc1Cl	409208850	DQVCLLTWSGUOQC-YVLHZVERSA-N	412.276	6.373	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)=O)cc3)n2)cc1OC	1302653	NPVQZNBMQXZDCW-SFQUDFHCSA-N	405.479	5.006	50	40	HKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@@H](c3ccc(F)cc3)CC(=O)N2C1	4922654	OAWRYXFQDWYLSP-MRXNPFEDSA-N	413.905	5.007	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1	208211291	NITDGNQBLYOQJP-UEXNTNOUSA-N	403.526	5.271	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1	208234291	GNVKJYRARUGFLX-PKIWBCANSA-N	401.554	5.825	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1OCC	408539309	GRYTVUHKXBVCPS-UQQQWYQISA-N	416.949	5.391	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	408795810	NERVLAAVWJYNAV-NTUHNPAUSA-N	418.236	5.012	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccc(Cl)cc1	408888063	WGQVZBWYXMTUOY-VULFUBBASA-N	403.869	5.164	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)cc1	408993219	VEQDUNQLJWFSDR-NTCAYCPXSA-N	417.515	5.895	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1cccc(Br)c1)Nc1ccc(Cl)cc1	409016271	SZACTFXMKWLBJX-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
CC1=CC[C@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)CCl)[C@@H]1c1ccccc1	1408484	VZSRXJQSMQBLGG-BVAGGSTKSA-N	416.952	6.257	50	40	HKGB	
C[C@@H](Br)CN(C[C@@H](C)Br)c1ccc(-c2ccccc2)cc1	1557984	VVSWJIINKNWIDS-HUUCEWRRSA-N	411.181	5.727	50	40	HKGB	
CC[C@H](c1ccc(OC)cc1)[C@H](CN(CCCl)CCCl)c1ccc(OC)cc1	1667252	BRMHFXYLZCIKQI-DHIUTWEWSA-N	424.412	5.761	50	40	HKGB	
Cn1c(/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc21	4135533	CRHUXFLJHRWFRA-NTCAYCPXSA-N	404.267	5.660	50	40	HKGB	
C/C(=N\NC(=O)C1CCCCC1)c1ccc(NC(=O)c2ccc(Cl)s2)cc1	4647062	ZJDNNDQRMUFLGZ-YDZHTSKRSA-N	403.935	5.074	50	40	HKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	6635689	NUGHLIQWEZAMSU-ATVHPVEESA-N	413.315	5.482	50	40	HKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2ccc(Cl)cc2)cs1	100931457	MKDRMJQARCVOGX-JLHYYAGUSA-N	405.832	6.459	50	40	HKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@H](Cl)CCl	103527218	DCVKORWEQQJFNS-UWTATZPHSA-N	416.992	5.571	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C	223487348	QRQUEXOWTBTRFI-HMAPJEAMSA-N	413.565	6.205	50	40	HKGB	
CCCCCOc1ccccc1/C=N/NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl	2178174	LKZUHSQGCGITLW-BGHCKBSUSA-N	423.340	5.480	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	100843760	AYNKWEVITVTTGP-GXDHUFHOSA-N	419.859	6.767	50	40	HKGB	
COC(=O)c1cccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)c1	106374083	PXPDYMZRLBMISO-SFQUDFHCSA-N	418.499	6.000	50	40	HKGB	
COc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1Br	107700114	YBXWTAFIHKBFLM-WDZFZDKYSA-N	411.068	5.423	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccccc3Cl)cc21	223501968	MTXKHFSKMDKUIC-VULFUBBASA-N	409.961	5.823	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408812460	LWHLDYVHHQFQKD-VTFRSSIHSA-N	413.861	5.110	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1C	409023032	BFMMQFSVFKZKBH-VBKFSLOCSA-N	424.978	6.715	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)Nc1cccc(C(F)(F)F)c1	409049992	ZFNSKYOYIZJMPQ-ONNFQVAWSA-N	401.171	5.263	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1	409249085	SAFDQMYABMTQCE-AQTBWJFISA-N	404.922	6.345	50	40	HKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)s2)cc1	954291	NJAKCBNTLYYFBS-CIAFOILYSA-N	401.535	5.711	50	40	HKGB	
CC[C@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	2098674	OCMRTMDPBNMKFC-YYYGAUAXSA-N	411.505	5.342	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(OCCC)c1	2100645	KQJHUHHAQKYYBC-YDZHTSKRSA-N	409.313	5.335	50	40	HKGB	
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C(\C#N)c1nc2ccccc2s1	5973767	LXBYOFSPCDTXJM-OBGWFSINSA-N	411.534	5.455	50	40	HKGB	
Cc1ccc(C(=O)N(Nc2nc3ccccc3s2)C(=O)c2ccc(C)cc2)cc1	9015631	SKCFEUPWKBIBLE-UHFFFAOYSA-N	401.491	5.223	50	40	HKGB	aggregator
CCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1	20132531	QPIFTRZCCJOBFW-VIFPVBQESA-N	420.170	5.178	50	40	HKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1OCc1cccc(Cl)c1	59116675	BPTBCPJRVWMDLB-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
O=C(OC(=O)[C@@H](c1ccccc1)C1CCCCC1)[C@H](c1ccccc1)C1CCCCC1	100473293	YYVKJPVHYXQDTL-WMPKNSHKSA-N	418.577	6.784	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2C(C)=CC1(C)C	208505645	MTPZWKZYAXPLFB-UNOMPAQXSA-N	407.355	6.535	50	40	HKGB	
CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCBr)cc1	225749356	IQDHGXVPMVQAJF-IBGZPJMESA-N	400.357	5.164	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(OCc2cccc(C)c2)c1	408858519	SQKLVECZNJVDJD-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1OC	409247151	GPQLOIIMYZUWTE-QPEQYQDCSA-N	424.806	5.312	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccc(Cl)cc1	409373501	WUMBWJIQAPJVMS-MTJSOVHGSA-N	400.865	5.863	50	40	HKGB	
O=C(CCl)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1	3885202	JPYQTIYPHKOIPB-BCAKAMLXSA-N	400.856	5.327	50	40	HKGB	
Cc1cccc(C)c1OCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	4694959	VBFNJRFJZVGVOE-OQKWZONESA-N	412.489	5.307	50	40	HKGB	
Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)CCl)c1cccc2ccccc12	8686419	BNKHHFTZYVPWHH-UHFFFAOYSA-N	424.331	5.759	50	40	HKGB	
N#C/C(=C\c1c(-c2ccccc2)nc2ccc(Cl)cn12)c1cccc(C(F)(F)F)c1	8855402	MXBWZOAGZGYTBP-SFQUDFHCSA-N	423.825	6.738	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O	9762080	ACBNONOLZZFGOP-WZPZYHAESA-N	419.279	5.429	50	40	HKGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1	13615803	JDHUUGXVMBIFQW-HMAPJEAMSA-N	424.525	6.558	50	40	HKGB	
Cc1ccc(N[C@@H](c2ccccc2)[C@@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16293175	BOPGCMCJMKWRLN-AHKZPQOWSA-N	422.553	6.767	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	59297352	MARQVUCIEQNPEB-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCC(=O)O)c(Cl)c1)c1ccc(Cl)cc1Cl	408578901	BPWAVMNTJWEKKZ-XCVCLJGOSA-N	417.075	5.828	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)c([N+](=O)[O-])c1	408598826	KCLMHEMTBQXVNT-RVDMUPIBSA-N	402.435	5.696	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	408795050	JWVHFQZSPDTIIP-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)c1	408880241	FLTDCOAXCWSZFW-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
COc1ccc(C(=O)c2ccc(/C(C#N)=C/c3cccc(Br)c3)s2)cc1	3048830	BAZVJRFAXAXLCD-LFIBNONCSA-N	424.319	5.814	50	40	HKGB	
O=C(N/N=C/c1ccccc1O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12	5120166	NRHNPSDAZFSGAK-AFUMVMLFSA-N	401.853	5.025	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3ccccc3OC)c2c1	13942861	QOWMHQKTIFQDKF-NBVRZTHBSA-N	416.477	5.191	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccccc1Cl	59117212	MRCPXQDELBUWLK-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CCCCCCCCCCCCSSCCCCCCCCCCCC	100077029	GAYUSSOCODCSNF-UHFFFAOYSA-N	402.798	10.210	50	40	HKGB	
CCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(O)CCCC2=N1	100703093	QAVPBNLIDXDOPJ-QHCPKHFHSA-N	416.546	6.288	50	40	HKGB	
Cc1ccc(SC(Sc2ccc(C)cc2)=C(C#N)NC(=O)C(Cl)Cl)cc1	102622471	ZASBSELWLUKUAK-UHFFFAOYSA-N	423.390	5.800	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)cc1C	408806451	JGECXVVIIWMFFQ-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccccc1	408807037	JWNGNSXQCZAPEO-SWEABUAFSA-N	421.840	5.293	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)cc1)C(=O)NCc1ccccc1	409066840	MMAJAMJEAAXADQ-RGEXLXHISA-N	404.922	5.715	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(OC)c1OCc1ccccc1	409073063	OPQJPMQXGXLVEA-PXLXIMEGSA-N	421.500	5.943	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1ccncc1	409221377	PMETWXUTLYXSRO-BOPFTXTBSA-N	410.399	5.054	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	409364929	RLZVABMVWDNDTQ-ZMOGYAJESA-N	401.293	5.509	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1	4739449	HRDDDRCZDCVGCQ-SSDVNMTOSA-N	409.269	5.071	50	40	HKGB	
Cc1cc(-c2ccc(NC(=O)CCCCl)c(C)c2)ccc1NC(=O)CCCCl	6268154	DOZFGRBHZFQDCK-UHFFFAOYSA-N	421.368	5.885	50	40	HKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccc(F)cc1	12622210	SAXDULKTWJEHRP-NBVRZTHBSA-N	420.447	5.558	50	40	HKGB	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c(C)n1Cc1ccco1	22867170	RZTIPZCJTQTPJT-UHFFFAOYSA-N	412.704	5.463	50	40	HKGB	
CC(C)(C)[C@]1(Cl)C(=O)C(Cl)=C(Cl)/C(=N/C(=O)c2ccccc2)[C@@H]1Cl	26787279	SUDPZJQIHDPTGK-UHTICBODSA-N	407.124	5.171	50	40	HKGB	
CC[C@@H](Nc1ccc(Cl)cc1C)C(=O)N/N=C\C(C)=C/c1ccc(C(C)C)cc1	32705963	OAKYMHYUFYJLQB-KPAVOQRVSA-N	411.977	6.168	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1	107773971	IIUWBSBIQUXQAH-WOJGMQOQSA-N	422.282	5.829	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc(Cl)cc4)c3)[nH]c2cc1C	408542076	GMHLWJGWVIFNKT-UDWIEESQSA-N	413.908	6.476	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1C1CCCC1	408772381	OQYBFZWZWPMHCW-YBEGLDIGSA-N	402.325	6.073	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1sc2c(c1C#N)CCCC2	408814245	SFSPFCGLTGYAAM-UNOMPAQXSA-N	401.510	6.109	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)cc1	408984503	HUZGNPGBVYSUAJ-HZHRSRAPSA-N	410.517	6.045	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cn([C@@H](C)CC)c4ccccc34)cc2c1	409188261	XZZNVXNTJHZKIQ-FTWDSPQQSA-N	403.482	5.521	50	40	HKGB	
COc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	409321315	FRJXAPYSEKBNPU-MRXNPFEDSA-N	419.333	5.274	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OCC	409394372	ZNBXFOPICUMFCS-SXGWCWSVSA-N	402.263	5.616	50	40	HKGB	
CCCCC12C[C@@H](CI)N(c3ccccc31)c1ccccc12	2271768	UHFJZSNTEDLCLI-HNNXBMFYSA-N	403.307	5.822	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	4592629	AWGFBOMWGBKOJZ-KHYLXTRXSA-N	414.549	5.790	50	40	HKGB	
C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(Br)cc1	4897890	QKXDSMSOXKRAQV-ZMOGYAJESA-N	408.299	5.029	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1OC	13765576	MZDDPCPJMHBELC-QGOAFFKASA-N	405.523	5.927	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c(C)n1-c1ccc(F)cc1	28216776	KURHUMWSFZTAKS-MJDKSPQASA-N	409.530	5.005	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	28217496	QCDFZPOMWBAMSE-FSJBWODESA-N	401.297	5.557	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc(C(=O)O)c1	33644354	TYEMDEBLOAMCIU-ODLFYWEKSA-N	403.409	5.176	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473733	SWWVDBHNYMKVAS-WGOQTCKBSA-N	418.562	5.671	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)cc1OCC	408582973	QEHUSDGTBZPNFC-LICLKQGHSA-N	401.890	5.609	50	40	HKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C2\C[C@H]3CC[C@H]2C3(C)C)cc1	408952307	JYRMFWLELVJWJY-QPGDVVMNSA-N	404.554	5.320	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1Cl	409012546	KEYITXDXPWHPRT-KIHMUJGBSA-N	409.711	5.044	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1	409183711	FQUWDPLDSATBOQ-ZHZULCJRSA-N	421.338	6.320	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409244311	AYXYFYREHSGVNG-BDLQZBCKSA-N	412.917	5.310	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CNc2cccc3ccccc23)c1C	409390987	GNUVUQPNPHRSFL-LQKURTRISA-N	410.521	5.118	50	40	HKGB	
Cc1ccc(S[C@@H](C(=O)c2ccc(C)cc2)[C@H](Cl)c2cccc(Cl)c2)cc1	4576091	CMHMNBBOAYDXJT-FYYLOGMGSA-N	415.385	7.281	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)cc1	5298406	JYHKRSNFPCQPLR-NLRVBDNBSA-N	402.494	5.208	50	40	HKGB	
Cc1cc2c(n1-c1ccc(N/C=C(/C#N)C(=O)C(C)(C)C)cc1)CC(C)(C)CC2=O	5935398	XCUSTAYZKYCYTO-ICFOKQHNSA-N	403.526	5.375	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1ccccc1F	6342263	XXOBUHIHIYHSHT-FMIVXFBMSA-N	401.224	5.938	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@H]1c1ccc(F)cc1	6495432	BDSXQJLKYVGNJM-AWEZNQCLSA-N	407.297	5.405	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	9190476	YAAWRSIPRCOFMN-KKMLCIJBSA-N	416.521	5.308	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	20763971	LFSFIBKVMVWULQ-FSJBWODESA-N	403.265	5.416	50	40	HKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(OCCC)cc1OCCC	103010276	UQQRBQUQFWJUCW-HEHNFIMWSA-N	400.563	5.648	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC	408580713	RDDOHDNJZMOJIS-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccccc3F)ccc3ccccc23)cc1	408582732	PPRQAQKQDNWBAB-CJLVFECKSA-N	409.460	6.631	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cccc(C(F)(F)F)c1	408961450	CIHFLNGCWIPWNT-CCVNUDIWSA-N	421.422	5.472	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OC(C)C	695168	NZXJFTBKRAQQOI-AFUMVMLFSA-N	402.450	5.146	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(-c3cccc(Br)c3)o2)cc1OC	949628	JTJUCRHFTLVYDP-LFIBNONCSA-N	410.267	5.790	50	40	HKGB	
CCCOc1ccc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)cc1Br	6294276	UXCHVOKJJCXEFB-YBEGLDIGSA-N	410.315	5.795	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c1	59201241	XVJSCBJKEVFASN-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
CC(=O)c1cccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	100860105	OABGGEYAKLLDSB-GXDHUFHOSA-N	414.317	6.296	50	40	HKGB	
CO/C(=C\C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118925235	OVHOXMZYAGSYNN-CIHZKDTFSA-N	402.575	5.306	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2[C@H](C)CC1(C)C	208320686	AYJVYPCPFAOKEW-PJAVDKHJSA-N	417.475	5.581	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc(C(F)(F)F)cc1	408778627	JBNLTXSTXDUYCO-NDENLUEZSA-N	423.390	6.047	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)ccc1OCc1ccccc1Cl	408810214	LRZVSZVNMQETBM-QUYZQLMHSA-N	412.917	5.139	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2Cl)c1	408877347	VFEIXMLZHOEEPR-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	408984642	SHPGCAKOVWJLAN-ZSOIEALJSA-N	421.711	6.066	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nn3c(C)ccc3C)o2)cc1Br	409380533	GESUCPRSBHLZHX-YVLHZVERSA-N	424.298	5.113	50	40	HKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccco1	1453726	CUZQJODQSYKKOI-LFIBNONCSA-N	406.463	5.039	50	40	HKGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	2897837	PAXUCULCRHAWDX-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	3206210	IWBSOVLEBDXNAA-OVCLIPMQSA-N	414.317	5.586	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccccc1O	4694078	LFDCGWSXGIZDHR-WYMPLXKRSA-N	415.276	5.042	50	40	HKGB	
COc1ccc(OC)c(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	13615883	YLBLPOYWMFLVKM-QPEQYQDCSA-N	417.317	6.198	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1	20764606	YXEHRTBUFDIVQY-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cc(Cl)ccc1Cl	33757489	IFRRADHSAYDRTD-MFOYZWKCSA-N	412.276	6.373	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1C	59432664	AUOMXMXGRNFSPV-XNTDXEJSSA-N	411.288	6.416	50	40	HKGB	
O=C(/C=C/c1ccc(OCc2cccc(Cl)c2)cc1)Oc1ccc([N+](=O)[O-])cc1	103705297	BONWYLRMCLNZNP-AWNIVKPZSA-N	409.825	5.446	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c1	208248187	CPRTTXJCTGTVES-PMFHANACSA-N	407.945	5.916	50	40	HKGB	
Cc1cc(C)c2oc(-c3ccc(Br)c(NC(=O)CSC#N)c3)nc2c1	226328678	FSKGCNYRBDWJJI-UHFFFAOYSA-N	416.300	5.027	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc12)c1ccccc1	408924951	PRRINVHOFGOKJQ-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	409368825	ODMWTNJMHLLIBQ-MTJSOVHGSA-N	411.417	5.118	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Oc3ccccc3)cc2)cc1	3321777	FLRHLCBVOWBNMD-CAPFRKAQSA-N	412.445	5.201	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C(F)(F)F)n2)cc1	4995927	IYFSAUALRGVXJC-XDHOZWIPSA-N	412.480	7.092	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc(C)c1	6564703	ZTPZTKPMPUWMHG-HMAPJEAMSA-N	423.516	6.222	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)ccc1O	13027816	KOERAINZQDPJLI-CXUHLZMHSA-N	416.458	5.085	50	40	HKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1	20132868	WZGKQHDOIHCKGG-SECBINFHSA-N	420.170	5.259	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc(Cl)c1	408585839	JHGXVMPGHNFRGI-MFOYZWKCSA-N	401.724	7.119	50	40	HKGB	
CCNC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OCC)c1	408817884	XBLAEDSODIWAGW-CXUHLZMHSA-N	419.308	5.014	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1	408862859	ITMMLWXSPAXEIL-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Br)c1C	408968778	ZAZFNJPOMUGOQC-ZVHZXABRSA-N	424.342	5.183	50	40	HKGB	
CC(=O)N(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2c(c1)Cc1ccccc1-2	1721152	BNWLLBQXGNEQKJ-UHFFFAOYSA-N	402.497	6.209	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccccc1O	14134723	YMKOTLYYOXHKLG-WYMPLXKRSA-N	415.276	5.042	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1cccc2ccccc12	14923350	CPXBQNQGDZBVAN-DHRITJCHSA-N	414.292	5.281	50	40	HKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1cccc(Br)c1	15938170	MONGYGIJHPORQM-KEBDBYFISA-N	407.720	5.471	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	59116871	KTTJESHCOWATPU-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccccc2)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	409362751	KABOVFXBATZHGU-UQQQWYQISA-N	419.484	6.734	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	4544445	OOWCQSMHXSFKDD-OSVNEOKWSA-N	416.908	5.703	50	40	HKGB	
COc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	4923413	QIODXNDOIGMMPP-OAQYLSRUSA-N	419.550	5.038	50	40	HKGB	
C/C(=N/NC(=O)c1cccc(Cl)c1)[C@@H]1CC2c3ccccc3C1c1ccccc12	5287713	YKJKACREZDJHQB-NQFMNTJQSA-N	400.909	5.743	50	40	HKGB	
Cc1ccc(F)c(N/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	6203750	UDBVOFIEAXCTBP-FMIVXFBMSA-N	404.297	6.541	50	40	HKGB	
N#C/C(=C\c1cccc2c1OCO2)c1nc(-c2cccc(Br)c2)cs1	16386259	WGTNZOBFPJHMTJ-VGOFMYFVSA-N	411.280	5.365	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	28215878	MKBTXCNRBCSFHM-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
CC[C@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	100491272	RQWFPJKYFHYRGL-CRCLSJGQSA-N	402.038	5.058	50	40	HKGB	
CC(=O)Nc1ccc(C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)cc1	105667279	PGAXBHNZDJPJAJ-JFLMPSFJSA-N	424.504	5.174	50	40	HKGB	
Br[C@H]1[C@H]2CC[C@H](C2)[C@@H]1SS[C@@H]1[C@H]2CC[C@H](C2)[C@H]1Br	217400040	GDJQKRKZFGZASH-WBRCCVPBSA-N	412.256	5.492	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1OC	408537903	HXEZJSAWAOLTDA-XLNRJJMWSA-N	420.553	6.289	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cccc2ccccc12	408592507	YTYKVISAEACNGP-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)Sc1nc2ccccc2[nH]1	408599613	XKVAVVJELSPLQV-XSFVSMFZSA-N	406.514	6.223	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	408736921	CYZVGWVDZAJOOJ-OGLMXYFKSA-N	405.457	5.054	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	408744733	GYBMGWKRTZPEDM-RGEXLXHISA-N	419.912	5.692	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)s2)c1	409022277	LVWCMUYOPBUOLI-CIAFOILYSA-N	402.928	5.325	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2C(F)(F)F)o1)C(=O)Nc1ccc(Cl)cc1	409210692	KBBHCGPANJQTKP-ACCUITESSA-N	416.786	6.164	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(C(=O)O)c2)c(Cl)c1)c1ccccc1F	2866013	HNGFLRBLADBHBJ-VCHYOVAHSA-N	407.828	5.820	50	40	HKGB	
N#C/C(=C/c1ccccc1Cl)C(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1	3192634	IKHMCDVRCJMWFZ-XFFZJAGNSA-N	423.803	5.394	50	40	HKGB	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	33422037	PNODDEXZTKANHO-ZROIWOOFSA-N	408.807	5.692	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1	33670556	HLOYFVHOXZOGLK-RGEXLXHISA-N	424.529	5.763	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)c1	58823198	AYXCJWQCGROCSE-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CC(C)(C)C(=O)N/C(=C\Cl)[P+](c1ccccc1)(c1ccccc1)c1ccccc1	97965046	VBGPTGLRGPTRFQ-FCDQGJHFSA-O	422.916	5.181	50	40	HKGB	
COC(=O)CSC1=C(C#N)[C@@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	102881446	UKQXTJCDNRYVMX-MRXNPFEDSA-N	423.321	5.169	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O	408760773	FULJWGWGCAOPDX-BRJLIKDPSA-N	421.368	6.058	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	408797621	SSJSINZLEABQTH-GHRIWEEISA-N	401.422	5.271	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(Cl)c1OC(C)C	408856582	QLJSFBSEZOCHFO-OQLLNIDSSA-N	402.853	5.211	50	40	HKGB	
CC(=O)c1cccc(N/C=C(/C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c1	13658498	CGSBENMNEXQNBW-STZFKDTASA-N	401.535	6.188	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)cc1COc1ccccc1	17092386	NDMJYVIBGGJUER-XSFVSMFZSA-N	420.553	5.512	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cccc(OCc2ccccc2F)c1	100372250	CDXOPBCVHBPXPT-JAIQZWGSSA-N	422.463	5.413	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc3ccccc23)c1	408760302	WHYZQYSZRANKOD-JJIBRWJFSA-N	418.496	6.273	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1	408763914	QBHCVKDOKKSRSB-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	409186741	HHXWDAUTXGMIOA-SSDVNMTOSA-N	421.305	5.267	50	40	HKGB	
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@H](c2cccs2)C2=C1CC(C)(C)CC2=O	713595	KQXBYFZBVNXTQD-HXUWFJFHSA-N	423.969	5.651	50	40	HKGB	
CC1(C)[C@]2(C(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@]1(C)C(=O)[C@H]2Br	1805579	CAZOMVNBOBEWSG-OAUYIBNBSA-N	419.146	5.091	50	40	HKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	2849416	GDYBWQLOUBXQDD-WFSQQTBHSA-N	420.734	6.353	50	40	HKGB	
Cc1ccccc1C(=O)Nc1ccccc1C(=O)N/N=C/c1cccc2ccccc12	3089766	DHVWHUGQAAYXCK-WPWMEQJKSA-N	407.473	5.164	50	40	HKGB	
CC1(C)[C@H](c2nc3ccccc3[nH]2)CC[C@]1(C)C(=O)N/N=C/c1ccc(Cl)cc1	6393186	HMFYWVPVGYBNMK-HQUHOLMRSA-N	408.933	5.277	50	40	HKGB	
CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)[C@@H]1c1ccc(Cl)cc1	19815928	HEVWJPLZDVHWGD-SFHVURJKSA-N	410.926	5.099	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1	20197692	YUGMJOWIQONFMP-MFKUBSTISA-N	409.917	5.300	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1	59447301	ALPLDTBBBVDOFM-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
CCOc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1	103592514	NLEFGXDTSCNHSP-OQLLNIDSSA-N	419.433	5.191	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1	138440266	REVRKDNILNAFMZ-VUODPORTSA-N	421.294	5.493	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc(C)cc3)c2)cc1	209279539	XPPPZVUUDTWNAP-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)O[C@@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	263584181	LRWHHSXTGZSMSN-OTOZYYJMSA-N	411.754	5.224	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccc(OCc4cccc(C)c4)cc3)oc12	408971058	GWNCOAKWNXBCCQ-CVKSISIWSA-N	414.461	5.093	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1cccc(F)c1)c1cc2cc(Cl)ccc2o1	409023115	DQEMBOSGOWNCLA-ZMFRSBBQSA-N	422.843	5.568	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc(OCC)c1OCC	409071499	PBCZPENPRZAFBS-HMMYKYKNSA-N	420.509	5.157	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)N1CCCC1	409367668	HWVYXUQYKPHKFV-GZTJUZNOSA-N	401.293	5.102	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)s1	703637	MLKSGZQBBZZWDR-GOSISDBHSA-N	417.317	5.537	50	40	HKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2cccc(Cl)c2)cc1	3193529	VBEIWDKOUGATMA-AFUMVMLFSA-N	400.950	5.583	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1C	28217381	NKLYBMRSRRUUEL-BRJLIKDPSA-N	414.336	5.782	50	40	HKGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	33391365	MHXKWANDVPOTAX-ZROIWOOFSA-N	412.268	5.545	50	40	HKGB	
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ccc(Cl)c(Cl)c1	59117565	DZWUVMUJZPLMMG-SFQUDFHCSA-N	417.295	6.845	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	97981416	SFPGMTKIPSDYDE-GHIWRQRASA-N	404.554	6.210	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409112139	BNPXMXIEKCCWMJ-LSHDLFTRSA-N	411.354	5.164	50	40	HKGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1	959671	MOUCARWCCJDWOU-XYOKQWHBSA-N	420.346	5.648	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c([N+](=O)[O-])c1	4812754	BFSCNSHMZWLXFJ-RVDMUPIBSA-N	406.467	5.320	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1cccc(NC(=O)C(C)(C)C)c1	5516962	JPLYPZODKPPLPH-WYMPLXKRSA-N	406.313	5.132	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C\c2cccc(Cl)c2Cl)c(C)n1-c1ccccc1F	5570641	LULJNGAXMLFJCQ-WJDWOHSUSA-N	413.279	6.330	50	40	HKGB	
COc1ccc(C2=C/C(=C(/C#N)c3ccc([N+](=O)[O-])cc3)c3cc(C)ccc3O2)cc1	5955600	WREYPVXSKCLNIG-XTQSDGFTSA-N	410.429	5.780	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Cl)c1OC(C)C	7159216	ZLJBFKAYQAPOAK-RIYZIHGNSA-N	405.281	5.335	50	40	HKGB	
CCn1c(S[C@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)nc2ccccc21	24138141	FXCAZLUZUDYUSQ-MQRKLRRUSA-N	406.536	5.059	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208438058	HKJNYKOXEPGHAB-YUMHPJSZSA-N	413.521	5.001	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	408880340	ILBXHOVEIXQPPW-AFUMVMLFSA-N	405.567	5.262	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)NC1CCCC1	409191405	GPYLJMLJUOBUNS-KQWNVCNZSA-N	419.528	5.809	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(F)c1	409210625	JUXBNPXVGFXRTB-ODLFYWEKSA-N	404.397	5.386	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	409221826	VIIVCZRJVUXAGL-YBEGLDIGSA-N	407.351	5.383	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Br)cc3)c2)c1	409252266	RLXQFPCAYWNGPE-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3ccc(Cl)cc3)c3ccccc32)o1	409394259	XUQILCUMGNEXRJ-ATVHPVEESA-N	416.864	5.787	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1c(Cl)cccc1Cl)[C@H](Br)C2=O	8384934	FHNPPLVMNBLNFV-JLZZUVOBSA-N	419.146	5.091	50	40	HKGB	
C/C(=N\NC(=O)Cc1c(C)n(Cc2ccccc2)c2ccccc12)c1cccs1	18191490	JXXWQWFWZVTQPA-KOEQRZSOSA-N	401.535	5.142	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(-c2ccccc2)cc1	31723496	VRBIEAXXLIBHTF-XINFVKEFSA-N	418.500	5.688	50	40	HKGB	
N#C/C(C(=O)c1c[nH]c2ccccc12)=C1\SC=C(c2ccccc2)N1c1ccccc1	36636080	JBSZZFQFLSAKTJ-YYADALCUSA-N	419.509	6.338	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc(OC)c1OC	59336517	FSYMVBHIXWKLHL-GDNBJRDFSA-N	417.292	5.285	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Cl)c(Cl)c1	59435289	DGQUITPONLTIKF-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(CSc2ccccc2)cc1	59473380	CBRBMNQTSGUDRJ-ZMOGYAJESA-N	415.345	6.050	50	40	HKGB	
CCCCCCCC[C@H](Br)C(=O)c1cc(C)cc(Br)c1O	100932591	LILWLOYXVAKOFO-AWEZNQCLSA-N	420.185	6.160	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Br)c1	107924936	ZUEBPUQZKZQSAT-ZDLGFXPLSA-N	422.282	5.829	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c(C)n1-c1cccc([N+](=O)[O-])c1	206510246	WQCCUMJLLZXDQS-BOPFTXTBSA-N	420.856	5.201	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1)[C@@H](C)CC(C)(C)N2C	208211920	DCJXNAVUXZPDAI-PMFHANACSA-N	407.945	5.916	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1	408579595	IIYVBSRZNSBRAD-DEDYPNTBSA-N	407.872	6.521	50	40	HKGB	
CC(C)Oc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	408808002	LZKPHUWUYWCMBH-RIYZIHGNSA-N	419.706	5.435	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2Cl)cc1	408847172	PPZJATIPAMEGIS-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C/c1cccs1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	1454148	LIBQZAHNMFIFDG-WQLSENKSSA-N	420.346	5.648	50	40	HKGB	
Cc1ccc(-n2c(C)c(C=C(C#N)C#N)c3c2CCc2cn(-c4ccccc4)nc2-3)cc1	3193536	ZDZLSTHHZZZMJE-UHFFFAOYSA-N	415.500	5.476	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)c1ccc([N+](=O)[O-])cc1	4675351	XAYOADYBNNIOJJ-XQNSMLJCSA-N	406.441	6.391	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1	4723132	BGOHHZKNFAWANJ-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1sc2ccccc2c1C#N	16268280	VPGZUXHWLQYOFL-LDADJPATSA-N	419.513	6.121	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	20247351	NDFJFFPOMQYZCD-MFKUBSTISA-N	402.519	5.039	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)o1	33399411	USXFECQYUWPXSF-UVTDQMKNSA-N	400.394	5.112	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1	33778137	NVFMJQJMOFDMNX-YVLHZVERSA-N	411.835	6.270	50	40	HKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)c2C)cc1	59335488	HGBDCIMHMAFFPW-JWGURIENSA-N	411.505	5.513	50	40	HKGB	
Cc1cc(C)cc(C(=O)N(NC(=O)c2cccc(OC(F)(F)F)c2C)C(C)(C)C)c1	139632719	RCXMMUYYDGEVKJ-UHFFFAOYSA-N	422.447	5.096	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1	408549246	RIOQYOWULOFCHW-YUMHPJSZSA-N	419.524	7.190	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(C)c3)c(Cl)c2)cc1	408794076	HRDNXRLPWIFDRE-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1	409091858	SRFLJRQDKVZFAO-LGJNPRDNSA-N	424.287	5.208	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cn(Cc4ccccc4F)c4ccccc34)[nH]c2c1	409393435	XFPXFYQVCGNARE-PDGQHHTCSA-N	422.463	5.778	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	725362	DTURAIDUEBKSHY-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
Cc1ccc2cc([C@@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc2c1C	786942	ROYQZCOYQQRQJK-OAQYLSRUSA-N	411.892	5.876	50	40	HKGB	
CC(C)CCO[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615233	ZEBJMSLILQIKBZ-BONVTDFDSA-N	408.130	5.065	50	40	HKGB	
O=C(NNc1ccc(Cl)cc1)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1	2332494	SWARGPOVPOWFCH-UHFFFAOYSA-N	421.711	5.026	50	40	HKGB	
C[C@H]1CCc2sc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2C1	3389230	MOOXMEJPBWRGDI-STPJHCLOSA-N	404.535	5.216	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1cccc(C)c1	6355084	WBGAIICKMBOCFJ-KOEQRZSOSA-N	419.524	7.190	50	40	HKGB	
N#C/C(=C\Nc1ccc(Br)cc1F)c1nc(-c2ccc(F)cc2)cs1	9404895	MTIOSBSDUUTBLK-FMIVXFBMSA-N	418.266	5.827	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)cc1	59291897	RCYJHSFSFHWWOW-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
Cn1c(/C=C(\C#N)c2nc(-c3ccccc3)cs2)ccc1-c1ccc(Cl)cc1	67299956	HLPWTGQBZFWKAW-QGOAFFKASA-N	401.922	6.533	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1ccc2c(c1)CN(c1ccccc1)C2	83297729	QXCTUDOBDWJSDJ-ROTLSHHCSA-N	410.304	5.278	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1ccc(Sc2ccc(C)cc2)o1	100222377	JCUYABSMZSTIAW-ZDLGFXPLSA-N	410.502	5.748	50	40	HKGB	
C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)N(CCCl)N=O	118929740	SALYBQYJYPDVQY-ATXQXWCPSA-N	424.969	5.326	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc(Br)cc2)c1C	138921781	RFUSDGBJQTYZDD-HMAPJEAMSA-N	419.366	6.792	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc21	223507337	FNPXJMUZWOZSLU-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Br)c1OC	408551159	LQRJUDODLSPIQZ-GRSHGNNSSA-N	408.295	6.074	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1OCC	408588981	XPISPLKGRKTTKX-NVNXTCNLSA-N	406.696	6.122	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)cc2)cc1	408719330	BSDJCPWTTWTOHO-PTFSYIGCSA-N	404.535	5.205	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OCC	408818420	WTYAGUMQQSBRCX-WOJGMQOQSA-N	412.917	5.690	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccccc2F)c2ccccc2n1Cc1ccccc1	408819497	XMGXBHHLKQXJOQ-HMMYKYKNSA-N	409.464	5.683	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)[C@@H]1c1ccsc1	705632	XNPZZNHPVNJQSF-GOSISDBHSA-N	415.440	5.072	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12	942676	BZLXRIGBLNGHQL-CWCGOZQBSA-N	404.469	5.358	50	40	HKGB	
CC1=C(C#N)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(C[C@@H](c3ccc(Cl)cc3)CC2=O)N1	1082075	VPAXLOXNUMKTBK-ZHRRBRCNSA-N	419.868	5.133	50	40	HKGB	
N#CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc21	2670689	RKNDUGKOKRPITF-KAMYIIQDSA-N	409.276	5.407	50	40	HKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1	6828633	JHLAQRXWWIMFSV-QGOAFFKASA-N	401.422	5.524	50	40	HKGB	
Cc1cccc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3Cl)ccc2O)c1	8861159	ZSMSLVQICNHVJN-ZXSYOUNQSA-N	422.872	5.299	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	18173362	XBGVALKFUYFRHB-YBFXNURJSA-N	424.331	5.624	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(OCc2ccc(C(=O)N/N=C\c3ccccc3)o2)cc1	34720857	NMFGKADJYNDTGB-QQXSKIMKSA-N	413.477	5.030	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2CC	208311385	UJIDMGBJUUOUIW-SBGXLDQMSA-N	401.554	5.907	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)n1-c1ccc2ccccc2c1	408804128	WEUJEZKZSWMNDQ-KGMMTVIPSA-N	411.549	5.849	50	40	HKGB	
COC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cc(C)cc(C)c3)cc2)cc1	408871082	XRIWPMBWGUFIFA-LFVJCYFKSA-N	424.500	5.227	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	409127726	RBWPDOPDGKGYPR-YYHBXHNPSA-N	419.594	5.650	50	40	HKGB	
N#C/C(=C/c1ccccc1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	3206211	IWBSOVLEBDXNAA-NVNXTCNLSA-N	414.317	5.586	50	40	HKGB	
COc1ccccc1/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1	3309626	ALGFAWYRZXSDOS-GXDHUFHOSA-N	403.787	6.692	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4C)CSC3=C2C#N)cc1	9693147	GUZPAFYJZCGFAS-SFHVURJKSA-N	423.969	5.430	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	10475777	IKBNAKIRTYMYEM-ZMOGYAJESA-N	417.292	5.345	50	40	HKGB	
O=C(NNc1ccccc1C(F)(F)F)c1ccccc1OCc1ccc(F)cc1	12769483	SJIMMOXAHARZIV-UHFFFAOYSA-N	404.363	5.180	50	40	HKGB	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1nc(O)c2cc(Cl)ccc2n1	15906551	RNNSOWFRFSSPJJ-UKTHLTGXSA-N	422.275	5.201	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccncc1	32189076	ZDRKLMIHIFHXCM-ZRGSRPPYSA-N	423.303	5.155	50	40	HKGB	
CCN1/C(=C\C=C\C2=CC(=C(C#N)C#N)C=C(C)S2)Sc2ccc(OC)cc21	101460448	YNPZGSVWHFJPJT-QEHQNYQCSA-N	405.548	5.903	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1ccc2ccccc2c1	408764575	XNHBKPZCZYOIAT-XSFVSMFZSA-N	408.413	5.198	50	40	HKGB	
CCOc1cc(OCC)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	408791152	UXAKEBDXCFWDLN-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccccc1	408801617	WIROMYTUFOQFQA-XNMHXBJZSA-N	411.549	5.600	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)c1C	408804951	HPSQECGQWCZYDR-ARCSBPLMSA-N	409.961	5.658	50	40	HKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccccc3CC)c2C)cc1	408966968	OKCMOLKQSQEGEQ-XYGWBWBKSA-N	404.514	5.211	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3nc(Cl)ncc3F)c2)c(C)c1	409063069	GKDIIPZRWLEWMS-CXUHLZMHSA-N	422.847	5.224	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(F)c1	409391114	HHSJLPPGWRKJAX-UNOMPAQXSA-N	408.270	6.231	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C/c3ccc(-c4ccc(Br)cc4)o3)[nH]c2c1	409393672	YYKONCJSVYUXSB-GXDHUFHOSA-N	420.266	5.658	50	40	HKGB	
C=C(Cl)[C@@](Cl)(CBr)CC[C@H](Br)C(C)(C)Cl	1638741	OVLCIYBVQSJPKK-WPRPVWTQSA-N	401.397	5.673	50	40	HKGB	biogenic
O=C(CNc1ccc2ccccc2c1)N/N=C/c1c2ccccc2cc2ccccc12	3091719	AJUHSZLCVXEPIK-STBIYBPSSA-N	403.485	5.708	50	40	HKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(/N=N\c2cccc3ccccc23)ccc1O	4702550	DPGLWWHLCYQWQU-JBYDKDTQSA-N	408.461	5.654	50	40	HKGB	
C=CCSC1=C(C#N)[C@@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1	8934518	NFXJVCJBRILDCZ-FQEVSTJZSA-N	423.563	5.011	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@H]2CC/C=C/CC/C=C/CC[C@@H]12	11525633	CXSVWIBMCMBREG-DWEFKVRZSA-N	401.348	5.228	50	40	HKGB	
N#CC(C#N)=Cc1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)s2)s1	16488067	ZGHPPSLGHGSKNG-UHFFFAOYSA-N	409.539	7.377	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	24494646	XBGVALKFUYFRHB-ODLFYWEKSA-N	424.331	5.624	50	40	HKGB	
Cc1cc(C)c2c(=O)c(/C=C(/C#N)S(=O)(=O)c3ccc(C(C)(C)C)cc3)coc2c1	35622978	BOAUDAXXWOQEJA-NDENLUEZSA-N	421.518	5.046	50	40	HKGB	
O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(CSc2ccc(Cl)cc2)cc1	59474258	MZGISLHLFMMPOB-WYMPLXKRSA-N	424.909	5.125	50	40	HKGB	
Cc1cc2c(cc1/C=N\NC(=O)CCc1ccccc1)[C@H](C)CC(C)(C)N2C(C)C	223592949	SXRQMJJGTRHUGV-DAJTYMAISA-N	405.586	5.579	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)c1	408796656	PLQJWQWTJFAWQP-FOWTUZBSSA-N	408.910	6.247	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)ccc1Cc1ccccc1F	408867482	LBEBHZNOKMQEEH-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	409119132	QVSBXQGNWYZTDJ-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccs3)cc2)cc1	2056805	DHGUKEYEVWAHLI-BUVRLJJBSA-N	406.507	5.029	50	40	HKGB	
COC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C(C)=O)c1C	2356871	WOJFKDPGWSNHBD-GDNBJRDFSA-N	423.519	5.146	50	40	HKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C\c1c2ccccc2cc2ccccc12	5337209	AJUHSZLCVXEPIK-RHANQZHGSA-N	403.485	5.708	50	40	HKGB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(/C#N)c1cccc2ccccc12	6441608	YGSDAJUDLVFQHV-QFEZKATASA-N	419.568	7.380	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(OCc4cccc5ccccc45)cc3)nc2c1	107658561	XZYHQIWVTSTWNP-KQWNVCNZSA-N	415.496	6.668	50	40	HKGB	
CCCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(Br)cc1	408528290	DRSJIZUAKNAVPG-MTJSOVHGSA-N	409.711	5.045	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(C)c2)cc1	408800472	MRIHUTAGUCHHDP-PXLXIMEGSA-N	412.489	5.437	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1Cl	408934165	CRMDFGNVRFDPJX-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1Cl	409052749	JKAJTKXPWBGGJU-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1)c1cccc(F)c1	409393638	RSAZYWBOIKWWFL-IUXPMGMMSA-N	416.254	6.915	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(F)cc1	8812264	ZRTHXZKMIOWJDS-MZJWZYIUSA-N	403.432	5.040	50	40	HKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCl)[C@@H]3c2ccc(OC)cc2)cc1	12564858	JBNLLEISOAYPQS-IMTQHFKKSA-N	424.928	5.066	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)cc1	33409290	YCVUZRKBKPNGEJ-ATVHPVEESA-N	410.304	5.947	50	40	HKGB	
Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1N1C[C@H](C(=O)Cl)CC1=O	45887786	RGUAXOQFDAYBQM-LLVKDONJSA-N	423.683	5.228	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1	59224880	CIMHKDWUDJCQHZ-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccc(C(=O)O)cc1	408545153	ZJKSDIDJRHPKOX-XYGWBWBKSA-N	405.453	6.181	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)c3cccc(C#N)c3)c2C)cc1Br	408567556	OOAMNNQNWGUNTM-NHDPSOOVSA-N	416.322	6.101	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)Cn1cnc2ccccc21	408691499	AURPXAZBHDXECC-ZROIWOOFSA-N	404.813	5.465	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(C)cc3)cc2)c1	408746474	SWCHNZAIKPKBBG-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1C	408819336	RHXZEUPKZBLYKJ-ODLFYWEKSA-N	421.903	6.049	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Cc2cccc(F)c2)c1	408875108	DCEOSSLXDFRTPO-CPNJWEJPSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)c1	408883715	VPKFIDZVDUTDPG-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3ccccc3OCc3ccc(C)cc3)oc12	408969494	OOQHJQCWOAQKCQ-CVKSISIWSA-N	414.461	5.093	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1OC	409244312	AYXYFYREHSGVNG-DEKPZMAWSA-N	412.917	5.310	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)cc1OC	409376354	XNKBMDFLVODXMP-LWLPBDFMSA-N	409.835	6.609	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1F	6205985	AXKWZEAIKNCENK-RCCKNPSSSA-N	411.505	6.901	50	40	HKGB	
COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)[C@H](Br)[C@@H]21	16891883	UMARPJVAPXVBEX-XIGKFDRGSA-N	407.348	5.007	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	20763975	CSSOSWKHWLCKOK-FSJBWODESA-N	403.265	5.416	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)cc1	59335133	MIXHZHPCZBSEQR-NDENLUEZSA-N	414.465	5.165	50	40	HKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473031	DBOIVYARUZMWOE-XIEYBQDHSA-N	404.535	5.532	50	40	HKGB	
O=C(CCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1	104377258	JFMSHYWQKIIKCC-UHFFFAOYSA-N	424.524	5.766	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1C	208210075	CMUYZXYINQZPCD-VFAFIFLJSA-N	401.554	5.880	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)cc1	208503241	YNDOWQLBKZOJEI-ZHZULCJRSA-N	415.537	5.653	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)c1ccc2ccccc2c1	408548966	OKAIUUKAQPFJRB-JLPGSUDCSA-N	402.472	7.046	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(F)cc1	408737735	GCFUTHJDPKNLOZ-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
COC(=O)c1c(-n2c(C)cc(/C=C(\C#N)c3ccccc3)c2C)sc2c1CCCC2	408775052	YBJITCROLIKSPD-XSFVSMFZSA-N	416.546	5.885	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)Nc1ccccc1	408787835	GVTQVBKYGYMZDD-XMHGGMMESA-N	411.892	5.889	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2Cl)cc1	408897059	QFCAYFOUOULOKU-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(OC(C)C)c1	409142847	CRQHTPSHPSOOIN-FOKLQQMPSA-N	409.313	5.332	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1Cc1ccc2c(c1)OCO2	3168768	BVARXAPGYHZUIJ-UHFFFAOYSA-N	413.502	5.626	50	40	HKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1	3663687	BQROBGCSPYBVQB-SSDVNMTOSA-N	419.289	5.038	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1	6886459	WHJRXLKKUKRDFR-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccccc2)c(C)n1-c1cccc(Cl)c1	28215803	WHWZUIWCIXGAIR-ZMOGYAJESA-N	411.958	5.131	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(Br)c1	59137719	RYGHMBNLYLKBNA-UVTDQMKNSA-N	411.230	5.394	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cscn2)cc1)c1nc(-c2ccccc2)cs1	96991237	VDAXQYDFEBJQFX-ZDLGFXPLSA-N	401.516	5.910	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc21	208450176	CBOQZYYWFSEALI-GRSHGNNSSA-N	419.956	6.134	50	40	HKGB	
C#CCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br	408580650	QHGBPZVVBWXEOW-XNTDXEJSSA-N	417.100	5.288	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3ccccc3Cl)cc1)C2	408734350	XYZQENAVAWQOMP-LGJNPRDNSA-N	403.913	5.241	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1cccc(F)c1	408745658	UTYKOQWGSGDDRZ-NDENLUEZSA-N	416.452	5.267	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(Cl)cc1	408782524	HSXDXBGAISSCQF-OVVQPSECSA-N	417.940	5.052	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1	408787511	BBWSHJXHBKKUHT-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)c(C)c1C	408828543	HRVTTYPVMZZAMZ-VULFUBBASA-N	400.547	5.565	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1	408937738	OJMXGRATKJFPEU-MOSHPQCFSA-N	413.433	5.028	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3cccc(C)c3)c3ccccc23)c1	1095562	NWKZKTOMQRWZSP-STZFKDTASA-N	421.500	5.552	50	40	HKGB	
O=C(N/N=C/c1ccccc1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	2203529	RORNMNZPJAKSQR-ZVHZXABRSA-N	418.294	5.361	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)c1	2726827	DPNOOQNHFZRPGX-STZFKDTASA-N	421.500	5.552	50	40	HKGB	
COc1ccc2cc(/C(C)=N/NC(=O)COc3ccc(C(C)(C)C)cc3)ccc2c1	5020699	ZHHGRGXPJOYXDZ-YZSQISJMSA-N	404.510	5.065	50	40	HKGB	
N#C/C(=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2s1	5021831	YQYIZPWMHQQFNL-PFONDFGASA-N	414.456	5.002	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	7159202	IWWIAUVGBOICJE-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)CCC(=O)Nc1cccc(Cl)c1	18085762	JAKATPLCBOMBCG-RWDDHKOLSA-N	411.933	5.388	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccc(F)cc1	18173600	XBBKTQAQFVMPSR-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)o2)cc1Cl	41120787	REHWHGLBHYQGRC-XNTDXEJSSA-N	419.893	6.713	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)cc1	58917496	QMAKNXJQPMDUEP-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Br[C@H]1c2ccccc2-c2ccccc2-c2ccccc2[C@@H]1Br	68565032	AZZRGDBOTJIXLH-PMACEKPBSA-N	414.140	6.906	50	40	HKGB	biogenic
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1ccc(Cl)cc1Cl	408542508	LXGICXMBKQODOI-ZDLGFXPLSA-N	411.288	6.163	50	40	HKGB	
N#C/C(=C/c1cc(Cl)cc(Cl)c1O)C(=O)Nc1ccc(Br)cc1	408746144	XNLACEXVQLRYEY-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc(Cl)c1	408803664	RRWOVXMYUFSZBF-VYVDHXHBSA-N	403.913	5.532	50	40	HKGB	
CC[C@H](c1ccc(OC)cc1)[C@@H](CN(CCCl)CCCl)c1ccc(OC)cc1	1667250	BRMHFXYLZCIKQI-PKTZIBPZSA-N	424.412	5.761	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1nc2ccccc2s1	6283599	LXECACZCZNPLTL-FMIVXFBMSA-N	407.838	6.182	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	7210493	NBASYICDSJDIKY-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c1	58823193	IVWXFODSWXZING-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c1	59201257	LJIUXPPPFCEXRA-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)c(C)c1	59201793	WYWNHTDNVZEGLX-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1cccc2ccccc12	59297146	ZGEFMQLOZLMCDY-XQNSMLJCSA-N	404.469	5.964	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	59433074	FJWMTRXHGRKUIZ-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
CCC1=C(C)/C(=C/c2[nH]c(CBr)c(CC)c2C)N=C1CBr	73241078	LJAVYACKXJLDQF-CHHVJCJISA-N	414.185	5.697	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)c1	223171641	FWGKFSLYCPGDPV-ODLFYWEKSA-N	419.912	5.610	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[C@@H](C)CC1(C)C	223527993	AXOAEOYAZPOITM-XHCMJAMOSA-N	418.368	5.869	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc2ccccc2c1	408548145	DMPZZTGGVRLREM-PDGQHHTCSA-N	400.821	6.726	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)cc1	408820672	XYYFCBIEAAGWIA-UNOMPAQXSA-N	421.903	5.995	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(Cl)c3)c2C)cc1	409187106	MDFGDCBDEOLJJT-OYKKKHCWSA-N	410.905	5.302	50	40	HKGB	
COc1ccc(CC(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)cc1	409224113	JBNHPYPDMNIEPS-MTDXEUNCSA-N	424.500	5.120	50	40	HKGB	
O=[P@](C(Cl)Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1	3231189	LGUBLYBWZGRXFN-IBGZPJMESA-N	423.318	6.813	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc([N+](=O)[O-])cc3)n2)cc1	4333840	GMJPVYNMJLIMPF-QGOAFFKASA-N	404.495	5.893	50	40	HKGB	
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1	9405008	FPKMQOUJMDLQJV-XFXZXTDPSA-N	415.305	5.192	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)Nc2ccccc2)=C(C)N1	19848324	IVORZBYCVZWMCC-QFIPXVFZSA-N	421.566	5.928	50	40	HKGB	
CCC[C@@H](Br)C(=O)Nc1nc2c(C)cc(Br)c(C)c2s1	20132528	QPIFTRZCCJOBFW-SECBINFHSA-N	420.170	5.178	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)c1ccc(Br)cc1	408529845	KEMUUEXOOPMLHX-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1OC	408540144	NQUODWVRTMIKRC-JLPGSUDCSA-N	402.922	5.001	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc(Br)c1OC	408585189	CMDLNTMEMGFJHD-XGICHPGQSA-N	413.098	5.837	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2C)o1	408812269	SBAFXEOLFXLRSE-LFIBNONCSA-N	417.421	5.026	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)c1	409361288	GUTNMXLNPRUPMU-MIXAMLLLSA-N	422.528	5.728	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1cccc(F)c1	409394007	UFZZDWGGXRMILV-IUXPMGMMSA-N	416.254	6.915	50	40	HKGB	
Cc1ccc(C(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	2223901	IMUYOPCQDYJOEN-OAQYLSRUSA-N	404.491	5.474	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1Cl	2768779	NGURXJWBCGCTMC-XCLFUZPHSA-N	411.288	5.202	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1	15231434	SZTDWXNHYKJWOY-UHFFFAOYSA-N	417.859	5.006	50	40	HKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccccc2F)c(Br)c1	226341250	NOKQMEKAXWIRHI-AATRIKPKSA-N	404.062	5.599	50	40	HKGB	
C=CCOc1ccccc1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409049194	YDTYEUUTHVAJBZ-IMRQLAEWSA-N	407.473	5.231	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccccc1F	409389538	BXKWWCANOOYDTE-NVMNQCDNSA-N	411.835	6.270	50	40	HKGB	
CCn1c2ccccc2c2cc(NC(=O)C/C(C)=N/NC(=O)c3cccs3)ccc21	4675829	VIEGZUPHXVFUTQ-MFKUBSTISA-N	418.522	5.010	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1Cl	5949112	MLJALSSMJVJGAA-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OC	8326841	PAMRPZYFNVUNDW-FBKCMUNRSA-N	414.889	5.080	50	40	HKGB	
Cc1cc(C)n(Cc2cccc(C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)c2)n1	8781344	PCGVCAMUHPNTJJ-WPWMEQJKSA-N	424.504	5.104	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)S(=O)(=O)c1ccccc1	17090618	KZKHRUMBFKCPOK-KGENOOAVSA-N	416.477	5.167	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1cc(C)n(-c2ccc(C)cc2)c1C	33753121	GOQNMTCXYUOHRN-YUMHPJSZSA-N	411.505	5.328	50	40	HKGB	
O=C(N/N=C/c1cccc2ccccc12)c1ccc(CSCc2ccccc2)cc1	59473146	IHEJCCBJSCQJTL-WPWMEQJKSA-N	410.542	6.037	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	108936836	ISKCUEVROWPWQP-VULFUBBASA-N	410.558	5.133	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	215986753	IDWMUFJVWWDLMD-BOPFTXTBSA-N	424.972	6.495	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1)[C@@H](C)CC(C)(C)N2C(C)C	223588983	NABAGXJGLDMKDB-HSOLMKNUSA-N	411.977	5.913	50	40	HKGB	
Cc1cccc2cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c(Cl)nc12	408728862	VRUFIMJRBHWMJM-LSHDLFTRSA-N	404.322	5.092	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2OC)c2ccccc12	408808016	MBSMFQWSGQVHSV-CAPFRKAQSA-N	414.505	5.881	50	40	HKGB	
O=C(N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccs1	409093157	YMFBJQBJEGIQAT-AFUMVMLFSA-N	420.921	5.898	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccccc2Cl)sc2c1CCCC2	1453369	YTSFZNUTEKJCLU-SDNWHVSQSA-N	414.914	5.003	50	40	HKGB	
C/C(CC(=O)Nc1ccc(C)c(Cl)c1)=N\NC(=O)c1ccc(Cl)cc1Cl	5342636	XIWYFDXVPLDDBI-FOKLQQMPSA-N	412.704	5.090	50	40	HKGB	
Cc1cc(C)c(NC(=O)/C(C#N)=C\C2=Cc3cc(Br)ccc3OC2)c(C)c1	40154957	FUAKLBHYHGHQKY-NVMNQCDNSA-N	423.310	5.239	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)cc3)[nH]c2c1	50538940	MYFQPMNIBHGYKF-LGMDPLHJSA-N	401.922	6.740	50	40	HKGB	
Cc1cccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	59224693	LYPAHOLYAAKOSY-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1cc(N2CCCC2)c(F)cc1/C=C(/C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	107885130	CXAGOCRFJGBLLX-DHDCSXOGSA-N	418.299	5.587	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3)cc2[C@H](C)CC1(C)C	208316129	HTJACIJTNCXREH-UOIFGXKSSA-N	401.554	5.961	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cc(Cl)ccc4C)o3)cc2c1	409187507	RHYDRFTVFALWMV-MXAYSNPKSA-N	422.868	5.817	50	40	HKGB	
C=CCc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc(OC)c1OC	659609	GSDXUCBCECOTLI-CVKSISIWSA-N	414.461	5.096	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4ccccc4s3)o2)cc1	4859925	WOPUEZXIRJJBHU-GHRIWEEISA-N	400.459	5.797	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(C(C)C)cc2)nc1-c1ccccc1	4995244	GMEMALBJLJGNHC-XSFVSMFZSA-N	401.535	6.346	50	40	HKGB	
Br[C@@H](c1ccccc1)c1c2ccccc2c(-c2ccccc2)c2ccccc12	104249391	JDGWNXNEMZUIRI-MHZLTWQESA-N	423.353	8.144	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1OC	408530505	MAQREEWLURUKGF-QPEQYQDCSA-N	423.104	5.293	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)c1	408890388	SIWQBSWPXRGUKZ-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)cc1	408905209	VFKLYDSFLMCYTA-LQFJMUIISA-N	404.308	5.090	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(F)cc1	408988365	HSUVBYLIAOHUJO-UYRXBGFRSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)c1cccc2ccccc12	409334578	TZUFPKCUDAPMAN-LGUFXXKBSA-N	411.504	7.636	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccccc3Br)o2)cc1	1510271	VDCCEZKDWLDLJD-NTCAYCPXSA-N	407.267	5.563	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1O	3250711	OBJJANNJLLLCIC-NBVRZTHBSA-N	400.434	5.129	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc4ccccc4c3)[nH]c2c1	33873497	VGXGOOBZKQPKTO-JLPGSUDCSA-N	415.496	6.668	50	40	HKGB	
C=CCc1ccccc1OCCOc1cccc(/C=N/NC(=O)Nc2ccccc2)c1	41078034	XDGNXMRERATNFB-LGUFXXKBSA-N	415.493	5.029	50	40	HKGB	
Cn1c(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1-c1cc(Cl)cc(Cl)c1	67300001	YJNWOEXBHVVADW-GXDHUFHOSA-N	421.287	5.712	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N\c2ccc(-c3cscn3)cc2)cc1	104055344	YBSQMNBJYSWCAI-QRVIBDJDSA-N	404.366	5.845	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1ccc(Cl)cc1Cl	209385424	ORJDBTXDIIQNDT-LCYFTJDESA-N	401.224	5.938	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccc(CCCC)cc2)cc1OC	408540849	WLVXCIDSWYFWHN-XHPQRKPJSA-N	410.558	5.761	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408784641	WGFFBUXBPBRTLM-ZDLGFXPLSA-N	411.383	6.085	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccc(O)cc1	408814311	OXDBPPHWWPAKDR-QGOAFFKASA-N	404.853	5.170	50	40	HKGB	
C[C@@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408880750	IKWQEYFIHOAVPB-SCELWYEFSA-N	424.953	5.550	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccc(F)cc4)c3C)cc2c1	409186550	DPXDUUMXXUULQE-WGARJPEWSA-N	419.456	5.142	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)[nH]c2c1	409391928	MDJHFVJISARJAY-MTJSOVHGSA-N	410.521	5.968	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3nc4ccccc4[nH]3)o2)cc1Br	17082806	IZXIIIVOCNLNNW-GDNBJRDFSA-N	404.267	5.958	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)c(C)c1	20195454	LLRDCNPBIWOCMN-VULFUBBASA-N	407.945	5.366	50	40	HKGB	
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CBr	114039816	QVVKYGMSKHENEC-UHFFFAOYSA-N	405.229	6.538	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc21	208449918	VGPSJPYNXZIIAI-ODLFYWEKSA-N	419.956	6.134	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc(F)cc3)cc2)cc1	209279466	ORHCPBBVNUVLSM-HKWRFOASSA-N	416.452	5.349	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)Sc1nc2ccccc2[nH]1	408598704	IWFPKHSFBSHAQD-GXDHUFHOSA-N	406.398	5.527	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1	408787779	GDYXHUXIMPMHAS-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1	408799429	ZGMRKSAPTMBWDT-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc(F)c2)c1)C(=O)Nc1cccc(Cl)c1	408890979	JNAJSIUQIMADMS-LICLKQGHSA-N	420.827	5.244	50	40	HKGB	
N#CC1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCc2cccc3ccccc23)cc1	409127741	JPUHBPHCLXRLEB-AREMUKBSSA-N	420.468	5.343	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)cc1	409235313	BDQOKMQCWNLRLV-SSHUPFPWSA-N	419.528	5.782	50	40	HKGB	
Cc1c(B2OC(C)(C)C(C)(C)O2)ccc(O[Si](C(C)C)(C(C)C)C(C)C)c1Cl	1083813051	ZHQATSJHFNTJOA-UHFFFAOYSA-N	424.894	6.502	50	40	HKGB	
CCOC(=O)c1c(C)sc2c1N(C(=O)CCl)c1cc(Cl)ccc1S2	977830	PGCQRQDEKYDLOT-UHFFFAOYSA-N	402.324	5.255	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)[nH]c2cc1C	13943469	LZCISVJRWKPQNT-OQLLNIDSSA-N	417.852	5.856	50	40	HKGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1ccccc1C(F)(F)F	40139758	HYMRAZFFFAJFNA-NTEUORMPSA-N	416.790	5.090	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2[C@H](C)CC1(C)C	208310750	YZDNMSFPZDPCJD-BKAYVGFPSA-N	421.972	6.306	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223557329	HWKOYIVHVPDSJC-MAGMUUGSSA-N	415.581	6.295	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408537575	FTCNDRDNGHUUCH-XDJHFCHBSA-N	410.489	5.729	50	40	HKGB	
CCOC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1	408691736	OGAVADFCFDZVOZ-ZHZULCJRSA-N	424.504	5.228	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1	408745463	SOMUZZOTTOXHEC-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(O)cc1	408799454	ZEYMYWLBIMBYGG-QGOAFFKASA-N	404.853	5.170	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2ccc(N3CCCC3)cc2)c1	408844592	KKBCYBCEMSXDRD-UHFFFAOYSA-N	420.944	5.112	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	409068450	RNJXNWDTINQLHJ-PXLXIMEGSA-N	416.521	5.541	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)c1ccccc1	409228485	APVABEDTWCICPV-RQNDZEIBSA-N	420.852	5.083	50	40	HKGB	
CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	9353365	PVERBCDHUYVSJJ-SDNWHVSQSA-N	416.333	6.492	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccc([N+](=O)[O-])cc1	107756384	RNGBIZWAACFLGN-UYRXBGFRSA-N	418.424	5.776	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1C	223170066	YQYXNVVBWVTSKA-UNOMPAQXSA-N	423.438	5.967	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	408552151	HRCSTFMTWYMLAV-GZTJUZNOSA-N	424.485	5.176	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1	408759117	XZYHQVGMOFSCKJ-WJDWOHSUSA-N	420.852	5.406	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSCc2ccccc2)cc1)c1ccc(Cl)cc1	408769291	QOCZFNBNASLMDV-KOEQRZSOSA-N	408.954	5.927	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccccc3CC)c2c1	408784528	UENZPCPFWFEBJJ-HKWRFOASSA-N	414.505	5.745	50	40	HKGB	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1OCc1ccccc1	408889830	JPQZRLRYMQMWMS-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
N#CC(C#N)=Cc1ccc(OCc2ccc(Br)cc2Br)cc1	409187113	MFLQNNVLUNAKDX-UHFFFAOYSA-N	418.088	5.221	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)[C@@H]1[C@H]2CCC=CCCC=CCC[C@H]21	585091583	CXSVWIBMCMBREG-OEBMGPANSA-N	401.348	5.228	50	40	HKGB	
COc1ccc(N(C(=O)CCl)[C@@H](C#N)c2ccc(OCc3ccccc3)cc2)cc1	2348745	SZMGHDIKQRWRMX-QHCPKHFHSA-N	420.896	5.111	50	40	HKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1	6454131	UIGSMLRCGQGYIY-KRWDZBQOSA-N	400.956	5.334	50	40	HKGB	
CCn1c2ccccc2c2cc(N/C=C(/C#N)S(=O)(=O)c3ccccc3)ccc21	13107238	RJNORYQKDSJVAC-MNDPQUGUSA-N	401.491	5.065	50	40	HKGB	
O=C(N/N=C/c1cccc(OCCCOc2ccccc2Cl)c1)Nc1ccccc1	13942581	LAUIGYYBWCBTDN-KOEQRZSOSA-N	423.900	5.344	50	40	HKGB	
O=C(N/N=C(\C=C\c1ccccc1)c1ccccc1)c1ccc(-c2ccccc2)cc1	17242896	WTHVBMLUFQINTE-ODRMRPQCSA-N	402.497	6.201	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(Br)cc2)c1C	33349259	WSFGYIQKUGHISX-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1ccccc1F	33663689	IDSRGZTWHQSLJN-LCYFTJDESA-N	402.650	6.566	50	40	HKGB	
Cc1ccc(C(=O)NN/C2=C(\C(=O)C(F)(F)F)CCCCCCCCCC2)cc1	59488971	TXYWNPFIDQLJCQ-HNENSFHCSA-N	410.480	5.530	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)c1	208232109	DAGHOUJURRVORR-HPKGMJOESA-N	403.526	5.271	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223546492	GTMUPDMNSNKVGF-CMPFEXHJSA-N	407.558	5.268	50	40	HKGB	
O=C(Cl)c1ccc(OCc2ccc(Br)cc2)c(Br)c1	226328844	MKZMWUXYBLOSCX-UHFFFAOYSA-N	404.485	5.170	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)cc1C	408802974	JTQCRIWLIWOTJZ-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1OCC	408848432	UVWNQAQHAPRMES-XNTDXEJSSA-N	402.853	5.212	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	408865299	CADMXQUOCLXDSH-RIYZIHGNSA-N	408.807	5.692	50	40	HKGB	
CCCCCCc1ccc(-c2csc(NC(=O)[C@@H](Cl)c3ccccc3)n2)cc1	3269629	BLTHWYCSCHELLA-NRFANRHFSA-N	412.986	6.852	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2cccc(C(F)(F)F)c2)c1	4704899	SZMSDYYHCBWWLV-PTNGSMBKSA-N	411.383	5.050	50	40	HKGB	
CCOc1ccccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	7347990	FENSSULBNNJMIY-SSZFMOIBSA-N	415.474	5.292	50	40	HKGB	
CCOC(=O)c1sc(NC(=O)c2cccc(C(F)(F)F)c2)c(SC#N)c1C	8879850	CUUIUAVAGGRKRE-UHFFFAOYSA-N	414.430	5.078	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1cc2cc(Br)ccc2o1	83297716	NWQGJAMJHVMETI-ZBKNUEDVSA-N	412.070	5.266	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1	408581015	GBJDLGNELOCZRY-XDHOZWIPSA-N	420.852	5.900	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(Cl)c1	408599157	PKMIXIVDMKUXSA-YBEGLDIGSA-N	421.796	6.013	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)cc1C	408739303	BCBQTGRYHFQDPF-OGLMXYFKSA-N	409.533	5.557	50	40	HKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1	408797087	FTXDJRSAXWROLE-MRUVXERFSA-N	406.526	5.021	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409217936	FUMWCNOUTHSDFF-UYRXBGFRSA-N	424.416	5.570	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1ccc(C#N)cc1	409373605	WGHICFRGHILUOJ-DHDCSXOGSA-N	420.222	5.553	50	40	HKGB	
CCOc1ccccc1/C=C(\C#N)c1nc(-c2ccc(C)cc2)c(NC(C)=O)s1	4318510	DYDFDJABMPOFQY-CPNJWEJPSA-N	403.507	5.540	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccccc1	4662555	XTADOQKWCUYFEY-XQNSMLJCSA-N	404.469	5.964	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccccc1	40144637	HJJFACPPIIXLHT-WOJGMQOQSA-N	410.300	6.645	50	40	HKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc2[C@@H](C)CC1(C)C	223544628	AQOKFWDDFMZFPE-XTFCHBONSA-N	413.565	6.104	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)cc2)cc1	408884249	TXOQROITUCNNOJ-RCCKNPSSSA-N	400.453	5.361	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccccc1)C(=O)Nc1ccccc1	408892175	BPUUBVADYZLTEC-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)c(Cl)c1	408988499	IDASQZLUOLAEMC-ZSOIEALJSA-N	419.706	5.355	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)c(C)c1	409045043	XUNJPTWHAUCFML-CAOOACKPSA-N	417.336	6.191	50	40	HKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2ccc(Cl)cc2)cs1	4837075	MTOFMIJESHOQBE-NTEUORMPSA-N	401.716	6.290	50	40	HKGB	
N#C/C(=C\Nc1cccc2ccccc12)c1nc(-c2cc3ccccc3oc2=O)cs1	9310540	CLHGDABXUNAIMX-NBVRZTHBSA-N	421.481	6.046	50	40	HKGB	
COc1ccccc1N(C(=O)CCl)[C@@H](C#N)c1ccccc1OCc1ccccc1	12649982	HZGYDNIXKZQDSD-NRFANRHFSA-N	420.896	5.111	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1c(Cl)cccc1Cl	23724111	RXAPAWLOOCECLR-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(Nc2c(CCCl)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1C	27585356	DKSRZMGZXFCSNJ-UHFFFAOYSA-N	404.945	6.155	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1Cl	59418965	NBYCEVDOUAJZST-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc(Cl)cc1Cl	408545220	ZRUNMLVXPYNVKU-VGOFMYFVSA-N	407.322	5.164	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)cc1OC	408581517	IRWMQEFHPXDOHY-DEDYPNTBSA-N	416.433	5.255	50	40	HKGB	
Cc1c(/C=C(/C#N)C(=O)NCc2ccccc2)c2ccccc2n1Cc1ccccc1	408748040	XJUOHQVDUUVQEY-KQWNVCNZSA-N	405.501	5.221	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2ccccc2o1	408855958	GSJLXMPFCLINGC-JJFYIABZSA-N	409.785	5.018	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)ccc21	408860454	VZTGMKUPODIADF-LDADJPATSA-N	413.908	6.322	50	40	HKGB	
COc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12	2090639	CNCOZIBUYTWANQ-CVKSISIWSA-N	415.880	5.328	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	5588442	UMLZLDZVORNOSW-QINSGFPZSA-N	400.463	5.161	50	40	HKGB	
Cc1ccc(NC(=O)Cn2cc(/C=C(/C#N)c3ccccc3F)c3ccccc32)cc1	5986854	ZZDSKYXOKCRPSF-RGEXLXHISA-N	409.464	5.792	50	40	HKGB	
Cc1cc(C(=O)NN=C(Cc2ccccc2)Cc2ccccc2)c(C)n1-c1ccccc1	6235916	FLWAGUXWNSVOAV-UHFFFAOYSA-N	421.544	5.665	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2s1	27018067	MVFWQTBNOZQFQL-SSZFMOIBSA-N	410.527	6.275	50	40	HKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccc(C)cc1	33583691	XUVDORVXLILXDF-HAHDFKILSA-N	417.347	5.481	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1	34719947	FSSVUPJULWJFSR-CIAFOILYSA-N	423.475	5.318	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59426608	RBAMYGDJRUWKFG-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(O)cc3)c2C)cc1	107693127	UKRWJUOKBHQJNX-JWGURIENSA-N	413.521	5.688	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl	140193367	YECUTBXZYWHHTO-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)c(C)c1	208242476	QHDNFJOONHFZPD-KCBNLNMNSA-N	421.972	6.225	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)cc21	223502805	AGYSAPMPGAEJTJ-AFUMVMLFSA-N	420.513	5.077	50	40	HKGB	
CCCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3)o2)cc1	252499878	SHRUKCLTAPDQTA-HMMYKYKNSA-N	414.461	5.368	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(OC)c1OCc1ccccc1	408741688	KNBFWCDNNQNZTN-KQWNVCNZSA-N	424.500	5.548	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1	408746605	SZRUIWMISIOKJC-ZHZULCJRSA-N	403.913	5.856	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)c2cc3ccccc3o2)cc1Br	408939915	IWNTZDRKKXQHGB-IKTNTUJMSA-N	415.287	5.137	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)o1	408960924	JMYJUTKRKCKBHG-BHGWPJFGSA-N	422.824	5.117	50	40	HKGB	
CC[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(O)ccc2ccccc12	2100605	HKVXAYFARAQUQF-QMFLXTPQSA-N	421.547	5.176	50	40	HKGB	
O[C@@H](CCl)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1	2372168	YDRSBKJFUPCMJG-NRFANRHFSA-N	420.965	5.898	50	40	HKGB	
O=C(NNC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1cccc(Cl)c1	3226581	CMFBYZSHITXEHT-UHFFFAOYSA-N	422.897	5.083	50	40	HKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1	9693123	RSHPJRQGHLBJFO-QGZVFWFLSA-N	416.333	5.213	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1nc2ccccc2[nH]1	12374262	KNZYYRPVSOKEQI-WJDWOHSUSA-N	403.844	5.999	50	40	HKGB	
CCCCCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)F	98210398	NEOGUXPCNJGTPD-QMMMGPOBSA-N	408.139	5.983	50	40	HKGB	
CCCCCCCCCCCCC/C=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](N)CO	195792902	OFASSHVVQGEKIT-DWVLVAQTSA-N	413.763	6.954	50	40	HKGB	in-vitro
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1	195896165	MXLHWHHSTDVNQC-CHOXORPOSA-N	400.723	8.540	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(Br)cc1	408600245	AQMQKSAICCQONP-YVNNLAQVSA-N	421.653	5.266	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccccc1	408761663	KNLNKPGZQYBJCT-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(Cl)c1	408873204	OKCSAQXYVQPDKR-UDWIEESQSA-N	404.872	5.924	50	40	HKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(C(C)C)cc3)sc2c1Cl	408971460	OSUOQRLRFHIPLQ-RMORIDSASA-N	421.349	6.104	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408996479	PLKYIZBESKSYOI-MIXAMLLLSA-N	423.560	6.309	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccccc1	1409487	FFABTCUEEKEBSA-HMMYKYKNSA-N	407.473	5.249	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc3ccccc3n2)c2ccccc2n1Cc1ccccc1	1433681	KFVOMESGNCHHTB-OGLMXYFKSA-N	418.500	5.310	50	40	HKGB	
CCCCCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615257	CFRCTPNZOKRPHU-BDJLRTHQSA-N	422.157	5.599	50	40	HKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1cccc2ccccc12	3113344	VRYZGLICGABPFX-MFKUBSTISA-N	417.306	5.448	50	40	HKGB	
CC(C)c1ccc([C@H]2CC(=O)N3CN(c4ccc(F)cc4)CSC3=C2C#N)cc1	4923364	VFJCRHYGGJXIJV-HXUWFJFHSA-N	407.514	5.169	50	40	HKGB	
C[C@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	5739042	XVKUBWGLADSXRI-WRGIWNTCSA-N	409.489	5.583	50	40	HKGB	
CC(/C=C/c1ccccc1F)=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	13856417	AUMKVTLLVXANTG-AHYJLWQFSA-N	422.887	5.877	50	40	HKGB	
N#C/C(=C/c1ccc(O)cc1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	16526087	JCSHAIRJVHDHTL-BOPFTXTBSA-N	422.465	5.839	50	40	HKGB	
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2F)c1	17088012	SHALYOOJMIXURV-DEDYPNTBSA-N	408.517	5.643	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1ccccc1Cl	33710690	BSKUCXUCJNTDIV-UYRXBGFRSA-N	407.872	6.521	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Br)cc1)c1ccc(Cl)cc1Cl	59248493	VMWCRJCXOHHJHI-RAXLEYEMSA-N	418.121	6.611	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc4ccccc34)c2C)cc1	59335144	ZINGOTROEZPULE-KQWNVCNZSA-N	405.501	6.101	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)cc1	210456131	UXAYAUKMEMVJLH-RAXLEYEMSA-N	423.812	5.062	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)cc1	408599391	UDARXZCMUSZJAU-QGOAFFKASA-N	415.474	5.656	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(C)c(C)c([N+](=O)[O-])c2)o1	408745577	SUCIENKUDTZEED-WQRHYEAKSA-N	401.422	5.326	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	408810019	LKDRIOABSYQQEV-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(C(C)(C)C)cc1	408812771	MJSHSHHQINTMGA-HMMYKYKNSA-N	415.512	6.076	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	409188037	WNSYCXWGLHNGKV-WSDLNYQXSA-N	400.887	5.165	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccccc1F	7156521	BDUAOGHZKJQPDO-SDNWHVSQSA-N	411.230	5.394	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cccc(OC(=O)/C=C/c2ccc(Cl)cc2Cl)c1	11990411	VVGFOELQGNKXOI-QCPPYIPPSA-N	416.260	5.082	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1	59198892	NXHWCTNBMJMGHH-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
C[C@H]1C[C@@H](N[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1	95676468	RTTSRQHDBYZLNL-BPYKYCOYSA-N	421.521	6.097	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	408598916	LAKITWKEUXHGNV-DHRITJCHSA-N	424.884	5.360	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408779026	PCOMMVCWGSWFJB-SXGWCWSVSA-N	412.320	5.428	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1ccc(O)cc1	408796897	QMEQRJNPZNYQMG-QGOAFFKASA-N	411.436	5.080	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	409046946	LPFYRQDWSOQPLW-NTUHNPAUSA-N	420.252	5.236	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(-c2ccccc2)cc1	409188673	JMYMSWHKROQEKQ-JJIBRWJFSA-N	409.533	5.727	50	40	HKGB	
CCOc1ccccc1[C@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N	859056	ZCUNLAZPPSDRCO-OAQYLSRUSA-N	414.530	5.511	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)Nc1nc2ccc(SC(F)F)cc2s1	3192579	SDWCAGBECMMOLE-XFFZJAGNSA-N	421.881	5.810	50	40	HKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	8692127	GLISCOLPFNIHIR-OAQYLSRUSA-N	419.506	5.229	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1	12374243	JUWNTTOJWCVYSI-SAHIIKMKSA-N	416.949	5.525	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)cc1	15012957	COJLOQVJQAPRBB-UYRXBGFRSA-N	408.270	6.231	50	40	HKGB	
CCCCOC(=O)c1cc(-c2ccc(/C=C(\C#N)C(=O)OCC)o2)ccc1Cl	59416958	OULMMGCUYUCHAO-RVDMUPIBSA-N	401.846	5.027	50	40	HKGB	
COc1cccc(-c2csc(/C(C#N)=C\Nc3ccccc3C(F)(F)F)n2)c1	100843747	KQQYHLSVMDYLKN-KAMYIIQDSA-N	401.413	5.814	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1Cl	408892300	AKUALYDCYKQPNA-GHRIWEEISA-N	417.336	6.498	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)ccc1O	4898270	CZOXOLIDWMKAKB-WOJGMQOQSA-N	419.506	5.245	50	40	HKGB	
Cc1ccc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C	13121557	HUDYWEFPFIRSQS-UHFFFAOYSA-N	424.953	5.324	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	96475663	XGRMTNLBEBORGX-YVLHZVERSA-N	411.288	6.163	50	40	HKGB	
CC(C)C(/C=C\c1ccccc1)=N\NC(=O)N/N=C(/C=C\c1ccccc1)C(C)C	104299472	JXISIGLCWYMVKD-FXXVKPGRSA-N	402.542	5.736	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccncc1	208908470	CBYUWJDWLXGEKK-NTFVMDSBSA-N	404.473	5.002	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)c2ccc(Br)cc2)cc1	408579848	KNIKLSABWIZHGT-KGENOOAVSA-N	404.307	6.401	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(C)n1-c1ccccc1	408789556	MGXWMPKUDPOGJE-BOPFTXTBSA-N	410.304	5.947	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(F)c(Cl)c1	408814129	QFKWHOMVLXAWQZ-YBEGLDIGSA-N	411.839	5.571	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	408815476	RKJGRKIYURXOPX-LUYJPIOASA-N	411.288	6.038	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)cc1	408887713	QMXUDWKQKFGIQT-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1Cl	408890857	HMQPLKIYHYAJFR-ONNFQVAWSA-N	416.091	5.854	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccc(Cl)cc1	409187134	MOFIXHWALFBIEC-NHDPSOOVSA-N	411.874	5.116	50	40	HKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1cccc(Cl)c1	409234888	AEKNFFAEPQTBFG-WGARJPEWSA-N	405.860	5.246	50	40	HKGB	
ClCCN(CCCl)CCCCCCNc1ccnc2cc(Cl)ccc12	1747991	JTOLDDVAHJSAPW-UHFFFAOYSA-N	402.797	5.640	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1ccc(-c2ccccc2)cc1	1905069	VZXJQMBGBDBUBA-TURZUDJPSA-N	406.485	5.697	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1	12524316	JBCKMFOCXYOUHX-VTRIOTMOSA-N	412.537	5.121	50	40	HKGB	
N#C/C(=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1	33737787	BGVJQEDJSMMMPL-SGWCAAJKSA-N	422.531	7.875	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(F)cc1	58915990	XEUPATUWCMFULG-MFKUBSTISA-N	412.917	5.925	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1-n1cccc1	71335773	IYPATPCWIUDLLL-DICXZTSXSA-N	423.394	5.520	50	40	HKGB	
C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2C[C@H]1[C@H](C)C2(C)C	101265331	PBYXGDYSESXBPF-PBQROFAYSA-N	404.591	5.856	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC	206238315	GAMXNMYVYXZFLY-AQTBWJFISA-N	423.469	5.108	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)cc2[C@H](C)CC1(C)C	208311024	XIANATOOJMNJOD-HPKGMJOESA-N	421.972	6.306	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C	253618464	OTVRYZXVVMZHHW-MIRXTCEISA-N	405.110	8.635	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)c1	408743549	GPAYHYROYNBLCY-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(C)ccc1OC	408803591	QVOGFLHAODKGIR-XDJHFCHBSA-N	400.478	5.491	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408809889	SMCUFGRDQSNNJQ-ICVZWXRDSA-N	415.512	5.431	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(C)cc2)c1	408818971	ZEAASLMUQQQZFJ-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc(Cl)c1Cc1ccccc1F	408874478	CHCZCSUHUOALKT-WOJGMQOQSA-N	420.871	5.624	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2cccc(C)c2C)c1C	408962558	ZBWPITLBMGZEQU-YSMPRRRNSA-N	402.542	5.737	50	40	HKGB	
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(-c2nc3ccccc3s2)o1	2242369	VKSVPKZIEIWMIU-IBGZPJMESA-N	417.490	5.007	50	40	HKGB	
Cc1c([C@@H]2[C@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1Cc1ccccc1	2447755	OVTNPQZDYPTFLH-RDPSFJRHSA-N	408.973	5.483	50	40	HKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@H]1c1ccc(OCc2ccccc2)cc1	4679683	ZLHJXCARCLAYGT-RUZDIDTESA-N	404.469	5.637	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)c3ccco3)s2)cc1	26688757	KZUNXCRSLXLHFY-XMHGGMMESA-N	411.486	6.028	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OC)c1OCc1ccc(C)cc1	33784580	NGZLCEVNEJBBMQ-HAHDFKILSA-N	413.492	6.514	50	40	HKGB	
N#C/C(=C/c1ccccc1)c1nc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)cs1	67299869	GHVMPDLEYNUVAP-GDNBJRDFSA-N	423.324	7.441	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2cccc3ccccc23)cc1OCC	108932889	QRYVOILWRRFYLM-DIBXZPPDSA-N	418.537	5.962	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2)cc1	409220696	DMSUSCUMGUMABI-AFUMVMLFSA-N	420.921	6.310	50	40	HKGB	
CC(C)(C)C(=O)[C@H](Br)[C@@H](Br)c1cccc(C(F)(F)F)c1	3156998	NXVDTMWABHJCCM-WDEREUQCSA-N	416.075	5.520	50	40	HKGB	
N#CC(C#N)=Cc1cc(Cl)ccc1OCCOc1ccc(C2CCCCC2)cc1	4512297	LVCKUQYHYYBLMW-UHFFFAOYSA-N	406.913	6.276	50	40	HKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2cccc(C)c2)s1	4749773	CQFKWRMIGSZFRG-XSFVSMFZSA-N	417.534	5.377	50	40	HKGB	
N#C/C(=C\c1ccncc1)c1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1	6757255	KVHOPRHEGDFQRW-HMMYKYKNSA-N	408.486	5.522	50	40	HKGB	
N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@@H]1c1cccc(Cl)c1	16545267	IGGYQJDMMGCHDL-OAHLLOKOSA-N	417.774	5.262	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)cc(Cl)c3)c2C)c1	28217547	STNMXVPGAOMSIR-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
O=C(NNc1cccc(Cl)c1)c1ccccc1-c1ncc(-c2ccccc2F)o1	40052500	PQVNLRTZCNFLIQ-UHFFFAOYSA-N	407.832	5.558	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1	58823265	LRHQZXHQQXVWIH-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C	108056813	UIKVTMLPFFQALD-CHHVJCJISA-N	417.259	5.217	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408809747	IVQYISPSVRAITR-AFUMVMLFSA-N	410.901	5.931	50	40	HKGB	
CCOc1cc(C)c(/C=N/NC(=O)Nc2ccc(Br)cc2)cc1C(C)C	408852845	JHHZZLNMUVBDBP-WSDLNYQXSA-N	418.335	5.435	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1OCc1ccc(F)cc1	408855084	DEKGFDPAERMIQP-DEDYPNTBSA-N	418.443	5.706	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccccc3Cl)c3ccccc32)c1	408995581	KCEKBNMGFGAFNL-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(C)n(-c4ccccc4C)c3C)cc2c1	409185046	QPHHGGIWDIGABE-YSMPRRRNSA-N	415.493	5.311	50	40	HKGB	
COc1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	5383789	YQJJMFJKKPRIOE-WGOQTCKBSA-N	410.558	5.079	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	16806147	ZKIXMFAOVGFHAI-JWGURIENSA-N	418.500	5.702	50	40	HKGB	
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC(=O)[C@H]2I	39032765	YGZHYCOOWCXHBO-SHMJFQSUSA-N	400.344	5.402	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)CSCc2ccccc2)cc1	103735394	VWCCADUQLOYEGU-XIEYBQDHSA-N	412.599	5.809	50	40	HKGB	
O=C1C=C/C(=N/c2cc3c(cc2Br)-c2ccccc2[C@@H]3Br)O1	104262568	WTVONIADQHDGGU-SWEXZPIWSA-N	419.072	5.057	50	40	HKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Cl	409050149	ZLMLFSIXEHSTCB-VGOFMYFVSA-N	423.727	6.227	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1	409187023	KYPZCNYSECMSOV-MTJSOVHGSA-N	401.875	5.248	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1)c1ccccc1	409243620	ZDLVCMWAZGFCJR-IYWFSZBXSA-N	420.310	5.024	50	40	HKGB	
CCOC(=O)c1c(N/C=C(/C#N)c2nc(-c3ccccc3)cs2)sc(C)c1C	2391532	BVZWLDRAOUTNLM-WJDWOHSUSA-N	409.536	5.642	50	40	HKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OC	6358337	AJFGKPITGHNKSU-GRRFOWRYSA-N	404.279	5.838	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Cl	7893948	YEFWMRCPXHZLPO-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
N#C/C(=C/c1ccc(COc2c(Cl)cc(Cl)cc2Cl)o1)C(=O)NC1CC1	55053888	PEXLZJABJQEFKM-YHYXMXQVSA-N	411.672	5.004	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)cc1	260572485	WDBSNWQFTZNKQV-RXWSAZGZSA-N	417.553	5.661	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1	408736930	DIGHABJFRQDYDA-LGJNPRDNSA-N	424.287	5.208	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1	1308546	BWTLJGIKRDGXHR-QGOAFFKASA-N	413.502	5.764	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccccc1Cl	6355098	JULIHCGDNAWNMX-HMAPJEAMSA-N	403.909	6.690	50	40	HKGB	
CC(C)c1ccc([C@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)cc1	9012322	MUAJNWIXOJZRKD-HSZRJFAPSA-N	412.558	6.235	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	15225925	DDKNYDWLEVGXTG-WTKPLQERSA-N	402.064	5.551	50	40	HKGB	
Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(C(C)C)cc2)c1CCCl	27585377	QJMXJRPTCNGVSE-UHFFFAOYSA-N	418.972	6.661	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C\c2cccc(OC(=O)c3cccs3)c2)cc1	30734327	WCWYJOIGUUXNKQ-IWIPYMOSSA-N	406.507	5.029	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccc(Cl)cc1	107729977	ZIMNMSBBNLSFLZ-RGEXLXHISA-N	400.884	6.855	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3ccc(Br)cc3)cc2C(C)=CC1(C)C	208522608	KMCUGJLBXAYVPX-NDENLUEZSA-N	421.382	6.844	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(-c2ccccc2)cc1	408548211	DWYVPZCIWKGLEF-TWKHWXDSSA-N	424.547	7.979	50	40	HKGB	
Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4cccc5ccccc45)cc3C2)cc1	408734323	UOFGWTMRMGCRBD-NTFVMDSBSA-N	405.501	5.432	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)c1cccc(C(F)(F)F)c1	408783355	KNPNZEQXAGTGHC-ZROIWOOFSA-N	417.770	6.381	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3)c3ccccc32)cc1	408794139	HOSKEMNUOZEJDL-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	408812960	CFMFSMNUBNRYJW-NGWPFTMJSA-N	403.309	5.394	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Cc2ccccc2Cl)c1	408876084	JFUGNMGSRMRHMS-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)CSc2nc(-c3ccc(Cl)cc3)cs2)cc1	1789637	YBCJQDIXPYJKSK-UFFVCSGVSA-N	401.944	5.014	50	40	HKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1cc(-c2ccccc2)nc2ccccc12	2225978	BFUPLICIJPXIMF-RWPZCVJISA-N	419.406	5.685	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	10475860	AHGOPUUJPHEYQV-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	59225071	SDRIPDPEPZDLNQ-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)cc1	59535629	QRRUCVXVUHLELZ-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
O/N=C(/CSSC/C(=N/O)c1ccc(Cl)cc1)c1ccc(Cl)cc1	104334092	KESDEQSKAJKBEN-IKBKFCNISA-N	401.340	5.432	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CC(C)(C)N2C(C)C	223591149	VQIMATWQDBEIHX-NFXIUMSZSA-N	422.529	5.168	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc(F)c1	408548880	MRIKOORAGWYVKM-QFEZKATASA-N	423.487	7.021	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1ccc(Cl)cc1	408778762	YQNOPNYYDYAUKT-WGOQTCKBSA-N	416.912	5.302	50	40	HKGB	
CCCCCOc1ccc(O[C@@H](C)C(=O)N/N=C/c2c(O)ccc3ccccc23)cc1	2756947	GNFZZJKCUNQDBI-WYZSWBMLSA-N	420.509	5.032	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	11294487	RHPVIIJKSOKVLO-MHWRWJLKSA-N	406.825	5.152	50	40	HKGB	
Cc1ccc(COc2c(Br)cc(/C=C/C#N)cc2Br)cc1	33861634	UAZHWZBEPQPXBW-NSCUHMNNSA-N	407.105	5.636	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1C	59245239	JGXZHBUTDLBHPK-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1nn(C)c(C)c1Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	79495021	LYSQHJAYQZKISW-IBGZPJMESA-N	403.617	5.280	50	40	HKGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1Cl)[C@H](Br)C2=O	100868273	AHSLWDCWEZENFO-DQYPLSBCSA-N	419.146	5.091	50	40	HKGB	
N#C/C=C/c1cc(Br)c(OCc2ccccc2C#N)c(Br)c1	108994088	WUKJHTCPFFMOGE-ONEGZZNKSA-N	418.088	5.199	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)cc2C(C)=CC1(C)C	208514980	YYGLTBMXDPQCNG-UNOMPAQXSA-N	401.510	5.263	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1C	223549276	KVTGEXUNAIXKOG-ZWAQGKOVSA-N	415.581	6.350	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2-n2cccc2)c(C)n1-c1cccc(Cl)c1	408756594	WPGBFCHUZOEYCC-WGOQTCKBSA-N	416.912	5.302	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1C	408804409	FPPFPDUBMACTTE-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(OCc2ccc(F)cc2)c1	408806448	JFWNEIMBNKNMOE-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)c1	408935898	IRSWKGOKOYARBK-MOSHPQCFSA-N	402.881	5.773	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)cc1OC	2632526	DDVZUKNTPBOCHM-QGOAFFKASA-N	400.434	5.042	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3)o2)cc1Cl	3066706	OSLQVPQHGOVJKP-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
CCCCCOc1ccccc1/C=N/NC(=O)CCSc1ccc(Cl)cc1	3084141	IWFUQWFKTMCCAY-XQNSMLJCSA-N	404.963	5.542	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)cs1	4815409	JBBJRQFGZNHMCI-RAXLEYEMSA-N	400.276	5.688	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	4923408	UWRCBIFXRRCISX-NRFANRHFSA-N	403.551	5.338	50	40	HKGB	
N#C/C(=C/c1cccs1)c1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1	16526096	ZCQLOIJUJCBTII-GDNBJRDFSA-N	412.495	6.195	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59474294	OQZHUHGIDQJOFG-WGOQTCKBSA-N	402.563	6.007	50	40	HKGB	
CCCCCCCCCCCCOC(=S)SSC(Cl)(Cl)Cl	104333873	MNBHOESFCNHCTI-UHFFFAOYSA-N	411.913	7.918	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)cc1)C(=O)Nc1cccc(C(=O)O)c1	107669892	BCJMAMKUBIAHSH-AQTBWJFISA-N	400.459	5.082	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	214586043	OXGNTNXGIOFKEL-RAXLEYEMSA-N	413.260	5.808	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c1C	223549353	OSXNTLVZLDCQIZ-CVHFWEDTSA-N	415.581	6.350	50	40	HKGB	
N#C/C(=C\c1c(OCc2cccc(F)c2)ccc2ccccc12)c1ccc(Cl)cc1	408579980	MHOHJCQUFZOUHP-RCCKNPSSSA-N	413.879	7.275	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OC	408582164	MGPHFXLHSWXGJG-MHWRWJLKSA-N	400.272	5.095	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)n1	408821031	BPCITNOJSNBUIQ-XDHOZWIPSA-N	414.896	5.404	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1cccc(F)c1	408865234	BWLAWUUVOUOKSL-XSFVSMFZSA-N	404.872	5.924	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1	408891963	WKOUUONXRKAQKS-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)C(=O)N1CCCC1	409367579	AXSPGKBMWYAYEI-WSDLNYQXSA-N	404.554	5.082	50	40	HKGB	
Cc1ccccc1NCC(=O)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	3059398	JJQZCNDQYPRJDY-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(SCc2ccc(Cl)cc2)o1	5028557	JPDRHBDHBREEAT-SFQUDFHCSA-N	408.910	6.079	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)Sc1nc2ccccc2[nH]1	408599003	NKXJRHBVXQBDRS-AQTBWJFISA-N	417.921	6.452	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)cc2)cc1	408677647	TYWUCFRTUCSCFK-NLRVBDNBSA-N	415.562	5.510	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)c(C)c1	408778727	XRAOQWPJBADQSJ-NDENLUEZSA-N	414.465	5.165	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1	408805356	AKJSAAUXKTXZPW-LYEVVCBYSA-N	408.929	5.521	50	40	HKGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408874948	FQHOTMAPTNXJBU-SSDVNMTOSA-N	405.306	5.496	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1cccc(F)c1)C(=O)Nc1ccc(O)cc1	408878865	CUXVCQVUZWGWNE-LDADJPATSA-N	406.844	5.321	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccc(Cl)cc1	408890435	TVEVFKUQIIJRIR-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc2ccccc2c1	408995620	KGZRRVKEAFUKBH-MIXAMLLLSA-N	417.512	6.164	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1C	409023313	JCDROANOYZCYEC-VBKFSLOCSA-N	424.978	6.715	50	40	HKGB	
CC1(C)[C@@H]([C@H](Br)[C@H](Br)c2ccccc2)CC[C@]1(C)C(=O)O	4266722	IPAYRHXWIXEEOF-VWPFQQQWSA-N	418.169	5.413	50	40	HKGB	biogenic
COc1ccc(C2=C/C(=C(\C#N)c3nc4ccccc4[nH]3)c3cc(C)ccc3O2)cc1	4342197	XRJZFNWBDADUFO-VZCXRCSSSA-N	405.457	5.748	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(C)C)cc3)n2)cc1	4817106	FTYGFMGKJYCDMI-PXLXIMEGSA-N	401.579	7.109	50	40	HKGB	
Cc1c(Cl)cccc1N1CSC2=C(C#N)[C@H](c3ccc(F)cc3)CC(=O)N2C1	4922660	OAWRYXFQDWYLSP-INIZCTEOSA-N	413.905	5.007	50	40	HKGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1cc(Cl)ccc1Cl	40139610	JQVPOKKTJZMEJN-YRNVUSSQSA-N	401.278	5.058	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(F)c3)c2C)cc1	59137235	ORFRMNZOFCWPFA-UYRXBGFRSA-N	403.457	5.178	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(Cc2cccc(F)c2)c2ccccc12	59201397	HXTVQQSKQYVHSA-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)c1ccccc1Cl	59447258	OQDZOFWSHOLOPV-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](c1ccccc1)C2	74941545	HPIWSYWEXSCXFO-XJKSGUPXSA-N	403.345	5.004	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1	408729673	HUEUWFQCYJDPIG-XDHOZWIPSA-N	418.327	6.764	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(F)cc1	408774652	WWQQENCUZXUSCJ-PDGQHHTCSA-N	420.415	5.098	50	40	HKGB	
CCc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C	408965021	FRTVJFWOXKMVCA-YUMHPJSZSA-N	411.509	5.360	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc3c(c2)Sc2ccccc2N3C)c1	409147242	VKCAOTNPOMPTRE-CPNJWEJPSA-N	411.530	6.082	50	40	HKGB	
Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)c(C#N)c1C	4680186	WDUACNWTNNFRFR-YBFXNURJSA-N	406.555	5.000	50	40	HKGB	
N#C/C(=C/n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc2ccccc2c1	8651945	BSCJVNNYCAJOGY-VBKFSLOCSA-N	400.419	5.008	50	40	HKGB	
CC(C)c1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	9693329	LKHPAEKXPWYJDI-FQEVSTJZSA-N	423.969	5.683	50	40	HKGB	
CCCOc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1OCC	59515946	QTIFSLWAJFCZSI-DIBXZPPDSA-N	416.521	5.156	50	40	HKGB	
CS/C(Nc1cccc(C)c1)=C(\C#N)S(=O)(=O)c1ccc(C(C)(C)C)cc1	71328718	MYOYXNJBVPLFNM-FMQUCBEESA-N	400.569	5.234	50	40	HKGB	
CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(SC#N)c(Cl)c1	95471571	FJOXKXNXUQQHSG-DHDCSXOGSA-N	403.294	5.285	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)cc1C	408798422	FADYBEBEZMATAT-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1c(C)cc(C)cc1C	408814203	OGHFUXRKIONBLP-CCULFSDZSA-N	420.553	5.411	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(N(C)C)cc2)cc1	408855423	DFUDHPZAKAXOQH-USHMODERSA-N	422.532	5.283	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c1	2188670	NQNQJVDWFWSGFY-CVKSISIWSA-N	418.562	5.266	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1	3324219	ABXVRJICZRDECS-OQKWZONESA-N	411.505	5.267	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1nc2ccccc2[nH]1	59639205	XAHQCIKOYARTKI-YRNVUSSQSA-N	414.679	6.847	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cccc(OCc3ccc(Br)cc3)c2)cc1	408579190	DLAAYLDXFFJOKF-FYJGNVAPSA-N	404.307	6.401	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408874831	DGZNVILJLZZXKJ-ZZEOGJIBSA-N	419.956	5.619	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1cccc2ccccc12	409245009	MBYDGCWYAWYSDM-AUFPJITRSA-N	419.528	6.032	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	4675125	QGGKIMVWUXUCKP-CJLVFECKSA-N	411.549	6.246	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1Cl	4922740	KFSNWBJDHIUGCT-INIZCTEOSA-N	413.905	5.007	50	40	HKGB	
Cn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2cccc3ccccc23)c2ccccc21	6335010	SKMSFYOQKAAHIL-PTGBLXJZSA-N	412.492	6.788	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2cccc3ccccc23)c(C)n1-c1ccc(Cl)c(Cl)c1	6414948	VCTZYVLQYISJNW-DEDYPNTBSA-N	417.339	7.618	50	40	HKGB	
O=C(Cc1csc(-c2cccc(F)c2)n1)NN(c1ccccc1)c1ccccc1	15356428	PBJRTFHNZOJBTA-UHFFFAOYSA-N	403.482	5.361	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	39884578	ZGOFRFLEPZITBK-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)c(Cl)c1	408585167	BWAOVHKVQPBRKV-NTEUORMPSA-N	419.105	7.080	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1cccc2ccccc12	408586730	OZWYWNUYDJKTDX-BKUYFWCQSA-N	417.339	7.618	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(F)c1	408791147	UVFVXLFBBBDBKS-UDWIEESQSA-N	416.452	5.267	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Cl)c1	408924849	OWGAROJUKWLJMB-LICLKQGHSA-N	420.856	5.201	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	408986270	PHKPWKMZTRJIAF-XDHOZWIPSA-N	404.554	6.150	50	40	HKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(C(F)(F)F)c1	409107451	PYLGOYWILKDDED-YVLHZVERSA-N	402.416	5.387	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1	409188105	ANKOFIKEOMPXEL-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccccc1F	409190526	YXPCXSRYZGHEEP-RGEXLXHISA-N	401.485	5.103	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1	409233526	GCSFZCHMVSZSBD-HYARGMPZSA-N	409.464	5.683	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC)c1	409233929	URTIZFNDFAZODJ-WJDWOHSUSA-N	417.431	5.106	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	409365707	WFHLCGINWMPLBE-OGLMXYFKSA-N	409.533	5.253	50	40	HKGB	
O=C(c1cc(Cl)ccc1O)[C@H](Br)[C@H](Br)c1ccccc1	1682539	XFSWZAIWCDGXRX-ZIAGYGMSSA-N	418.512	5.128	50	40	HKGB	
c1ccc(P(COCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1	68569423	HATNOLTXNNSPJS-UHFFFAOYSA-N	414.425	5.184	50	40	HKGB	biogenic
O=[P@@](Nc1cc(Cl)ccc1Cl)(c1ccccc1)c1nc2ccccc2s1	101914554	HOPMWCVAXMOCNY-VWLOTQADSA-N	419.273	5.944	50	40	HKGB	
CS/C(Nc1cccc(C)c1)=C(/C#N)S(=O)(=O)c1ccc(C(C)(C)C)cc1	103218810	MYOYXNJBVPLFNM-VXPUYCOJSA-N	400.569	5.234	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)Sc1nc2ccccc2s1	108141633	DKMWSIYOCBMBQG-XSFVSMFZSA-N	423.566	6.956	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Cl	408873371	PYERRBQMWJVHRH-CJLVFECKSA-N	400.909	6.039	50	40	HKGB	
N#CC1=C(Nc2ccccc2Cl)S[C@@H](c2c(Cl)cccc2Cl)NC1=O	1048845	RHVREMBVGBIQKS-KRWDZBQOSA-N	410.713	5.356	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2)c2oc(-c3ccccc3)nc2[C@H]1c1cccc(O)c1	1070256	IXIYUNJCTAECKN-NRFANRHFSA-N	406.445	5.025	50	40	HKGB	
O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccc(Cl)cc1	2312406	BLBQNCSXRZMKSM-UHFFFAOYSA-N	409.276	5.361	50	40	HKGB	
N#C/C(=C\c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1ccccc1	3255075	XBPMFMIDJRWHNU-BSYVCWPDSA-N	415.496	6.702	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)c(OCCC)c1	5560585	DEXBCAIOPVSGDD-XMHGGMMESA-N	402.494	5.844	50	40	HKGB	
COc1ccc2cc(/C(C)=N/NC(=O)COc3ccccc3-c3ccccc3)ccc2c1	12617218	NNPSZIPMSIIQNP-TURZUDJPSA-N	424.500	5.435	50	40	HKGB	
CCCOc1ccc(/C=C(/C#N)C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1	33345917	MPHLLDRAAUDWHJ-XLNRJJMWSA-N	413.473	5.567	50	40	HKGB	
O=C(N/N=C1/C[C@H](c2ccccc2)Oc2ccccc21)c1ccccc1Br	35375947	BHAGBUAUILVQLD-AZJLSSPBSA-N	421.294	5.107	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1OC	408580263	BPMFPXKEHJOXLT-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
CCCOc1cc(Br)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	408581445	WVJZYPPTTPZIIZ-MHWRWJLKSA-N	420.734	6.354	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1ccc(C(=O)N/N=C/c3cccc4ccccc34)cc1)C2	408734319	TZVYLNXTFFUWJC-MUFRIFMGSA-N	419.528	5.741	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1Cc1ccccc1	408801615	WIROMYTUFOQFQA-UBJZOIQRSA-N	411.549	5.600	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2F)cc(C)c1OCc1ccc(Cl)cc1	408852999	OXZYOAGFMZUAEW-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc(OC)c1OCC	408991612	QSHFWQRDKAVLMJ-LDADJPATSA-N	410.901	5.330	50	40	HKGB	
O=C(Cc1ccccc1)N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1	409219186	KFHWVLYYUPQJQH-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)c1ccc(Br)cc1	2119490	COJLOQVJQAPRBB-CPNJWEJPSA-N	408.270	6.231	50	40	HKGB	
Cc1nc(NNC(=O)c2ccc(C(C)(C)C)cc2)c2c(-c3cccs3)csc2n1	13129448	VACWNSYKQJRTTQ-UHFFFAOYSA-N	422.579	5.783	50	40	HKGB	
CC(C)(C)c1cc(/C=N\NC(=O)Cc2c[nH]c3ccccc23)cc(C(C)(C)C)c1O	30721891	ISJVHQBJHBSJJP-VYYCAZPPSA-N	405.542	5.161	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	59117159	NJKOITGEAHWBQZ-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
N#CC(C#N)=C(C#N)c1sc(N2CCOCC2)c(-c2ccccc2)c1-c1ccccc1	59155130	FQFHBRBAAFNFOU-UHFFFAOYSA-N	422.513	5.243	50	40	HKGB	
CC(C)COc1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	59473468	RLVYRDNOHXUTKK-WGOQTCKBSA-N	418.562	5.778	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc([N+](=O)[O-])cc1	408565795	ANVSNAKCKONTNP-MHWRWJLKSA-N	401.401	5.082	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(Br)cc1	408738317	UVFMRNXDDQEXNI-PDGQHHTCSA-N	411.730	6.574	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1C	408742070	USDRULQWSGGHKJ-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)cc1	408832065	RAEAGZDHIDVUFA-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C(C)C)c(O)c(C(C)C)c2)c1	408851577	DBBPTMBRMJJMHI-JFLMPSFJSA-N	417.553	5.810	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N/NC(=O)CNc1ccc(C)c(C)c1	409006070	HJOJPHDABKGTNI-JVWAILMASA-N	403.526	5.198	50	40	HKGB	
O=C(N/N=C\c1cc(/N=N/c2ccccc2Cl)ccc1O)c1ccc(Cl)cc1	4775450	CFAAKLVGFJXVAY-LTKUWPENSA-N	413.264	5.878	50	40	HKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	4864014	MNKXUXRRHNCNGV-XDJHFCHBSA-N	417.472	5.488	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	14186090	JRCGBSBCPLERNS-AFUMVMLFSA-N	405.567	5.262	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@H]1C[C@H]2CC[C@@H]1C2	17091273	GVHDCDKVQJQNKZ-RKKPIKINSA-N	417.940	6.097	50	40	HKGB	
N#C/C(=C\Nc1ccc2c(c1)OCO2)c1nc(-c2ccc(Cl)cc2Cl)cs1	17170433	QVNKEUILOKPVLK-DHZHZOJOSA-N	416.289	5.822	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(C#N)/C(O)=N/c3nc4ccccc4s3)o2)cc1	41120757	ZODLZXDSZRZWFY-NTCAYCPXSA-N	417.515	6.544	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccccc3Cl)c1)C2	408734262	NMQGCZHKWLHASH-LGJNPRDNSA-N	403.913	5.241	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1	408755594	OTBCGBBBLDCMTC-DHRITJCHSA-N	414.336	5.727	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OCc2ccccc2)cc1	408792723	BQZFYBLCHPSUCN-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OC(C)C	408816617	ZADGOTCTHJCKJU-OVCLIPMQSA-N	419.308	5.725	50	40	HKGB	
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	409374663	WBQJOWLUNDKIIE-SRZZPIQSSA-N	409.533	6.103	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)Nc1ccccc1	1093751	RPCUGHIQRPZBBA-AFUMVMLFSA-N	402.885	5.499	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2OCc2ccc(F)cc2)cc1	3283562	WTGTXYWCLZCIKM-JVWAILMASA-N	404.485	5.466	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@H]1c1ccccc1F	5491336	HAWFXLFSQCIIGW-NRFANRHFSA-N	414.484	5.482	50	40	HKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1ccccc1OC(=O)c1ccccc1	8387625	OYNIQHSZDQDOMS-OAQYLSRUSA-N	424.481	5.339	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)cc(Cl)c3)n2)cc1	13774506	GTACOJDYCGPBCF-RAXLEYEMSA-N	402.306	6.102	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1	16282473	HJBNKESGSQMCHM-UYRXBGFRSA-N	419.912	5.610	50	40	HKGB	
CC(C)CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C	17083110	SXWSMXOCIAQLDQ-LDADJPATSA-N	404.982	6.003	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C	408586713	OYFGUFXVIOUCGR-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccccc1	408816753	ZDYJSYSZLSRRMQ-LUYJPIOASA-N	421.840	5.293	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)cc1	408868083	LHRVKGNGBJNLHN-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1OC	409244313	AYXYFYREHSGVNG-KZZLEIPFSA-N	412.917	5.310	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1O[C@H](C)c1ccccc1	2064515	DCWWDRXBZUEBBP-AQRZYSDFSA-N	400.434	5.808	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccccn3)c3ccccc3n2)cc1	2109415	BQGKNDIBJDDGNA-OQIQZUQJSA-N	408.505	5.574	50	40	HKGB	
C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl	3174991	KTJHDMCYBIIMQH-PVLQNKMRSA-N	413.304	5.578	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1	3196261	GRBQKQZSDVRRDF-TURZUDJPSA-N	406.485	5.697	50	40	HKGB	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OC)c1	8400496	CFNSHSMOIXVHKW-QPEQYQDCSA-N	417.317	6.198	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1cccc(Cl)c1	13586196	FGWYUGNTSWXPSR-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
COc1ccc([C@@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	19830936	AGPVIIMFWBKRHJ-UZUQRXQVSA-N	404.897	5.234	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OC(C)C)c(OC)c2)cc1	21322848	CHAPATNWYXJBQF-MHWRWJLKSA-N	414.889	5.080	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	30817708	ONNAQLZBNZYZKB-MYYYXRDXSA-N	408.885	5.082	50	40	HKGB	
CC/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccccc1	38202692	PKVWWCGJOHXIMX-NFFVHWSESA-N	409.489	5.358	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc2ccccc2c1	107649653	VJFFBQLRKZPAEP-HMAPJEAMSA-N	407.473	5.499	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Br)cc2)cc(Br)c1O	408534947	WXHHBEJTTNGHDA-QPEQYQDCSA-N	423.104	5.380	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1	408579578	IBPRAFSIWZBEFL-HYARGMPZSA-N	403.909	6.690	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	408766947	XITHBLRZZGMXSY-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC	408787478	AQCAFYPTTHSDCS-WOJGMQOQSA-N	410.901	5.466	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408925313	QYTAAGROPOWKIW-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3cccc4ccccc34)c3ccccc32)c1	408996424	DQUPBHWASNSDGY-STBIYBPSSA-N	417.512	5.915	50	40	HKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)NC1CCCCC1	409231215	IOFFBSGXJNMSOE-KGENOOAVSA-N	401.485	5.185	50	40	HKGB	
O=C(N/N=C/c1ccccc1O)c1ccc(Nc2nc(-c3ccccc3)cs2)cc1	632010	GAFUFUVDVUXCTC-ZVHZXABRSA-N	414.490	5.023	50	40	HKGB	
N#CC1=C(N)OC(C(F)(F)F)=C(c2nc3ccccc3o2)[C@H]1c1cccc(Cl)c1	16545269	IGGYQJDMMGCHDL-HNNXBMFYSA-N	417.774	5.262	50	40	HKGB	
CCCCCCCCCCCCCCCCCCCCCCCCBr	100308462	ZGPCRVNHYNSDIH-UHFFFAOYSA-N	417.560	9.983	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)cc1	208207470	STYJXDZZJIXCST-NFBGKYEXSA-N	403.526	5.353	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc4ccccc4c3)c2C)cc1	408549147	PWNLDEVVGZBOIE-USHMODERSA-N	404.557	7.654	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)cc2)c1	408735945	ZUKWBUTZZHIBOS-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc2ccccc12	408762429	BDGZRLYSHORAIH-JJIBRWJFSA-N	418.496	6.273	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)cc1	408763458	FLUDXHGGSJPVES-ZVHZXABRSA-N	424.342	5.183	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)cc1	408871741	ZUVIZXADHWSFMF-XSFVSMFZSA-N	421.327	6.438	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1ccccc1Cl	409015986	TWKCGTCPBVWYNE-MYYYXRDXSA-N	410.901	5.201	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N\NC(=O)COc2cccc3ccccc23)cc1Cl	409020791	TYGYVIVUFIRNHN-OOHHOYHOSA-N	410.901	5.200	50	40	HKGB	
CC(C)(C)[C@H]1CC=C2C(C#N)=C(N)C(C#N)(C#N)[C@H](c3ccccc3OC(F)F)[C@H]2C1	8442019	CLQYRTAHHQWRTA-GZRFBZBPSA-N	422.479	5.154	50	40	HKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)c2n1	13161919	DLZTYIDNTJZDDU-SFQUDFHCSA-N	413.462	5.552	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc(C(F)(F)F)cn1	24754279	UXMXSRPUWZWYGH-UKTHLTGXSA-N	401.369	5.801	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1cccc(Cl)c1	59117016	OBXCKLHNCJZRBM-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
COc1ccc2c(c1)C1=C(SS[C]1SC(=O)c1ccc(C)cc1)C(C)(C)N2	334157772	OMMIGKKOZURZTI-UHFFFAOYSA-N	414.597	6.377	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	408797077	FRJFWNBCOCYPFY-CPNJWEJPSA-N	420.871	5.912	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c(C)c1	408999321	UQTQFMRZKPTHGK-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(Sc4ccccc4)o3)cc2c1	409187000	KRLYXHYVVIEHHB-UCQKPKSFSA-N	406.463	5.340	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	2901575	JDSRNBKJRXVWFR-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
CCOC(=O)N/N=C/c1cn(CCOc2ccccc2[C@H](C)CC)c2ccccc12	4091887	YKMHHEVIUYJUPI-OAKZWBAKSA-N	407.514	5.314	50	40	HKGB	
CCc1ccc(N/C=C(/C#N)c2nc(-c3cccc(Br)c3)cs2)cc1	4815287	XQRHASVUCNPWMU-VBKFSLOCSA-N	410.340	6.112	50	40	HKGB	
CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	13755967	IZRZBBOBUDDKMK-KQWNVCNZSA-N	407.542	6.607	50	40	HKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccccc1Br	27527963	QNWXCEJLNUZXIO-BUVRLJJBSA-N	420.310	5.097	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)ccc1OCc1cccc2ccccc12	58871219	LBMLIRNYHASRHZ-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	408725639	LPKOFGLMIBCCIY-NDENLUEZSA-N	424.327	7.035	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)cc1Cl	408809690	HNSRGYWTIAXSCC-UVTDQMKNSA-N	424.815	5.071	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2cc(-c3cccnc3)nc3ccccc23)cc1	3276213	VLPAUVJMBOUGOP-LQKURTRISA-N	408.505	5.358	50	40	HKGB	
COc1cc(Br)ccc1C(=O)N/N=C/C(C)=C/c1ccc(C(C)C)cc1	5727456	YOMLUJGKOKMWGW-RESQAUMJSA-N	415.331	5.400	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1O[C@H](C)CC	6596362	PWRNCFRMRRKVMC-KDVQLTRESA-N	400.862	5.888	50	40	HKGB	
COc1ccc(/C=C2\CCC[C@@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OC)cc2)cc1	12564863	JBNLLEISOAYPQS-SWAXBTAQSA-N	424.928	5.066	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)c1	59201247	NOLSFSBIFJBADE-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1[C@H]1C[C@H]2C=C[C@H]1C2	103119665	HSYSEAFNRKHXOD-WWMNNVMHSA-N	412.537	5.506	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)Sc1nc2ccccc2[nH]1	408598666	HWVHXIVRESTYTN-LFIBNONCSA-N	422.307	6.242	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)c(C)c1	408809391	NYRNEXAUPXWRPV-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	408870758	WRSMYADJINCQGR-NTUHNPAUSA-N	405.679	5.047	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)c1	408885009	ZQEYSSXIXPXNRD-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(F)c2)c1	408933608	BAXHBGNHJCXHLV-BKUYFWCQSA-N	400.453	5.513	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Br	408983716	HFBFOOWANDDSFE-ZROIWOOFSA-N	419.706	5.355	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1	409363546	MHCVPQPXJAAOJE-LGJNPRDNSA-N	400.400	5.275	50	40	HKGB	
COc1cc(N(CCCl)CCCl)c(OC)cc1/C=N/c1cccc(Cl)c1	1704855	GCTMYFJEXLGDKX-YDZHTSKRSA-N	415.748	5.392	50	40	HKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/C(C)=C/c3ccco3)c3ccccc3n2)cc1	2109351	PQANBVWRTWFWPU-XYKXINCNSA-N	423.516	6.266	50	40	HKGB	
CC(C)[C@@H]1C[C@H](C)CC[C@H]1OC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2	4031856	XDESLZPXEGCJAM-YFQSRXNQSA-N	411.424	5.970	50	40	HKGB	
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@H](Cl)c1ccccc1	5852798	SOJGZAYPCFPSDS-BVAGGSTKSA-N	403.953	6.488	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc(Cl)cc1	5949110	GUGRXACPRLBZIF-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CC(C)[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1	20133444	JCMOIMZMTKIORX-QGZVFWFLSA-N	419.344	5.233	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)c1	408795272	KTGQAGQGEVCZOD-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	409116274	UQIVBNNYMXOGPY-WGOQTCKBSA-N	419.594	5.652	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)o2)ccc1Cl	409358962	LSPPUFLLGVNCBF-GDNBJRDFSA-N	408.797	5.359	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@H](c2cccc(OCc3cccc4ccccc34)c2)NC(=O)N1	409369051	ZGZJEKXWAAUQHC-QHCPKHFHSA-N	411.505	5.596	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc(Cl)c1	1453745	CRAUIMSEFRYWJG-UYRXBGFRSA-N	411.892	5.889	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1	1453953	HLSXTVHKATXGHQ-SFQUDFHCSA-N	420.852	5.322	50	40	HKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1	1906088	IJAFXXLPANBUDY-LDADJPATSA-N	419.525	5.716	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc3ccccc23)cs1	2202356	UZKCUIHSSMQFRE-NTCAYCPXSA-N	405.885	6.732	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)cc1	2306176	HTOGKWWCYJSIEH-GHRIWEEISA-N	420.852	5.322	50	40	HKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)c1cccc2ccccc12	6423195	ANXCLPTTWIZPHJ-FCDQGJHFSA-N	414.508	6.938	50	40	HKGB	
C/C(=N\NC(=O)CC(C)C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Cl)N2	58917388	WXMLWABVZAVKST-RQYZBZEWSA-N	421.972	6.053	50	40	HKGB	
Cc1ccc(/N=N/c2ccc(O)c(P(=O)(c3ccccc3)c3ccccc3)c2)cc1	100134213	COZGTYXMWYKLQH-CYYJNZCTSA-N	412.429	5.755	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1cccc([N+](=O)[O-])c1	107701455	KUZRGLANXFANEQ-OYKKKHCWSA-N	406.441	6.391	50	40	HKGB	
CC(C)C[C@@H]1C(C#N)=C(SCC(=O)c2ccc3ccccc3c2)N[C@@H]2CCCC[C@H]12	170622657	DGDGRJOBRCHBBS-AOHZBQACSA-N	418.606	6.315	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc4ccccc34)cc2[C@H](C)CC1(C)C	208319729	WEOIVWYUDUMFQX-WKTMJKCCSA-N	413.565	6.024	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc21	208448126	LVMYVQSBQRIMDI-WQRHYEAKSA-N	405.929	5.826	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C#N)c2)c(C)n1-c1ccccc1Br	408567929	QOPKKOSZFBCDGR-NDENLUEZSA-N	402.295	5.793	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)cc1	408583871	XZQRIBACRHIODM-JJIBRWJFSA-N	405.497	6.800	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Br	408795068	KYOUWYXSGMSLRI-RIYZIHGNSA-N	419.706	5.355	50	40	HKGB	
N#C/C(=C\c1c(F)ccc(C2OCCO2)c1Cl)c1nc(-c2ccncc2)cs1	585079578	CIDUVCVQUBUDDU-UKTHLTGXSA-N	413.861	5.107	50	40	HKGB	
N#C/C(=C/c1ccc(Br)cc1)c1nc(-c2cccc(Cl)c2)cs1	5944295	LKYQTWVUPQTFKT-ZSOIEALJSA-N	401.716	6.290	50	40	HKGB	
O=C(O)c1cccc(-c2ccc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)o2)c1	16526100	ZIGYZMQOVIBOKY-VULFUBBASA-N	424.412	5.308	50	40	HKGB	
C/C(=N\NC(=O)c1cnc2ccccc2c1)[C@@H]1CC2c3ccccc3C1c1ccccc12	68759110	WPURMBJJFQXSPM-JFAYAYMJSA-N	417.512	5.638	50	40	HKGB	
FC(F)C(F)(F)CO[C@H]1C[C@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	227002691	GXGLHNCRLZGEBB-KTLDWYAMSA-N	420.621	5.214	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1	408744470	LIWCYNNLYVLCIR-ATVHPVEESA-N	417.421	5.108	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)CCCc1ccc(OC)cc1C	408914758	XLVWXVASQGCRET-YZSQISJMSA-N	404.510	5.029	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2nc(Cl)ncc2F)c1)c1cccc2ccccc12	409317143	OKSTVFOTMCEOND-BOPFTXTBSA-N	401.828	6.279	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)n1	409380355	LLALGCJGGMJNQO-RQZCQDPDSA-N	413.308	5.462	50	40	HKGB	
COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@@H]3c2ccc(OC)cc2)cc1	714358	ICMMKYOFRYNIBJ-NLMIPJBGSA-N	400.478	5.033	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)c1C	5611035	PQRJFJQAXMQSMY-HYARGMPZSA-N	413.521	5.519	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccc(C)cc1	59201573	OSXXFEWQTKEWDH-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1	59266533	OUBGXLWFEWHTBH-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccc(Cl)cc3C)o2)cc1Cl	67192520	WGCBTZKWNHFCIX-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)c(Cl)cc1OC	408791737	BTDJQNPIWZNCLW-RIYZIHGNSA-N	405.281	5.255	50	40	HKGB	
Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)CCl)c1ccc(Cl)cc1	863037	SEBZYCZOQDPQHF-UHFFFAOYSA-N	408.716	5.260	50	40	HKGB	
O=C(CCl)Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1	2631705	INFRLRHKRJSSER-UHFFFAOYSA-N	402.885	5.460	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(NCc2ccc(Cl)cc2)cc1	4108416	ZRRHDGWZAGFMGP-JFLMPSFJSA-N	402.885	5.197	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	59201140	BNXFZCDSLYBOOC-LFIBNONCSA-N	419.824	5.586	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1	59501724	DRZURTTUQZLHAH-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C	96466368	JRWUMAXNBMQSGY-IWIPYMOSSA-N	411.549	6.127	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3Cl)cc21	208249754	QAWAWFUMUSFLCA-LFWZTCNZSA-N	404.341	5.479	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1F	408568600	VLMSMNDZXFZAIB-YVLHZVERSA-N	417.415	5.493	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)Cn2cnc3ccccc32)o1	408691584	GSNPHJUICCKKSK-CPNJWEJPSA-N	405.461	5.398	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C)c(C)c2)c1C	408959659	CRMWGIYNURSTFD-YSMPRRRNSA-N	402.542	5.737	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c(C)c1	408965623	WLEMMCODLFEQAM-UVHMKAGCSA-N	413.443	5.494	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)NC1CCCCC1	409022344	KWRNADWNKURKRH-OWBHPGMISA-N	402.972	5.909	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1	409111584	DJKPUFUVMZNSRA-PTFSYIGCSA-N	404.535	5.205	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc2ccccc12	409379433	XLOLYZLDMYBHNT-JLPGSUDCSA-N	421.500	5.514	50	40	HKGB	
CC[C@H](C)Oc1c(Br)cc(/C=C(/C#N)c2cccc(F)c2)cc1OC	409394233	XKUHJIYHKHPPRN-TUTDSIAXSA-N	404.279	5.838	50	40	HKGB	
Cc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	639086	FBIXCGDYYFODPC-OAHLLOKOSA-N	403.334	5.574	50	40	HKGB	
Clc1c(Cl)c(CBr)c(Cl)c(CBr)c1Cl	1728416	XCBJIROLICUXQV-UHFFFAOYSA-N	401.740	6.090	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1	2286394	HLVRIZGLWTYVII-SDNWHVSQSA-N	412.312	5.558	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc4ccccc4c3)cs2)cc1OC	16959942	XITTZZMRGRYLKL-XMHGGMMESA-N	413.502	5.957	50	40	HKGB	
O=C(CSc1nc2ccccc2s1)NN=C1CCCCCCCCCCC1	59417027	FIAKSNFGZYLRNQ-UHFFFAOYSA-N	403.617	6.165	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)cc2Cl)cs1	90427182	NYSLGZILYSHNQG-CSKARUKUSA-N	408.260	6.372	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1Br	109017376	VWGSYUDZLBYPHD-SDQBBNPISA-N	417.104	5.461	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)cc2)cc1	408889260	BGMBAGMWWNQORL-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	409041469	JOTWENAANLTQCP-MDWZMJQESA-N	407.684	5.757	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1	409216309	GVOWEQJINYGRQA-UYRXBGFRSA-N	401.378	5.146	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CCSc3ccccc3)c2C)cc1C	4894802	HRZXMQJMYGVUJH-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
N#C/C(=C\c1ccccc1C(F)(F)F)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	5022010	ZJYLXEVOXZGGAI-NTEUORMPSA-N	401.369	5.801	50	40	HKGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)Cc2ccc(Cl)cc2Cl)c1C	7784067	GPPQVAUSRSSQNO-VCHYOVAHSA-N	404.341	5.387	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(C)cc(Br)cc2s1	20132835	MILWUNFAKTZTHA-JTQLQIEISA-N	420.170	5.259	50	40	HKGB	
COc1cc(/C=N/NC(=O)CCc2ccccc2)ccc1OCc1ccccc1Cl	58871314	IDBZRANDHHHVDL-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
CCOc1c(Br)cc(/C=C(\C#N)c2ccc(C)cc2)cc1Br	209404259	JAMFKDAWUPDPAZ-OVCLIPMQSA-N	421.132	5.983	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)c3nc4ccc(F)cc4[nH]3)o2)c(Br)c1	408568007	RKINSELAKQSIHP-UKTHLTGXSA-N	422.257	6.097	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(C(C)(C)C)cc1	408777635	DTCDOAPVMFSGNY-PGMHBOJBSA-N	403.570	5.748	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408814168	OCGZWMSGIRFSOU-CPNJWEJPSA-N	403.457	5.096	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3ncccc3c2)c1C	408967205	QRMKZXZHMJGOBU-HMAPJEAMSA-N	406.489	5.496	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCC	409068678	SLULFOZKHAMJSJ-KGENOOAVSA-N	404.510	5.375	50	40	HKGB	
CN1c2ccccc2Sc2cc(/C=N\NC(=O)COc3ccc(Cl)cc3)ccc21	409149949	WKBQVXLVHZMCMN-CFRMEGHHSA-N	423.925	5.102	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1	728464	MWNXCFDWFNENMK-FOWTUZBSSA-N	407.267	5.563	50	40	HKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)cc1	2109855	DQRMUSZMNQFEEJ-WGOQTCKBSA-N	413.546	5.988	50	40	HKGB	
N#CC1=C(N)OC(c2ccccc2)=C(C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl	3080263	NIBNDHQGVKYLOP-OAQYLSRUSA-N	412.876	5.442	50	40	HKGB	
O=C(CSCc1ccccc1Cl)N/N=C/c1ccccc1OCc1ccccc1	3088740	IWGLOSLBBRRAMI-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
CCCC[C@@H](Br)C(=O)Nc1nc2ccc(N3CCCCC3)cc2s1	20133098	XOSHPUKAOPOMBD-CQSZACIVSA-N	410.381	5.179	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C	59335447	OVFHAHPNLSFZFZ-UNOMPAQXSA-N	419.912	5.610	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(F)c(Cl)c3)n2)cc1OC	100860099	RWCLXQMHGBHJIE-JLHYYAGUSA-N	415.877	5.596	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc21	223479270	BZOIZIQZPKNJFT-OGLMXYFKSA-N	411.549	6.014	50	40	HKGB	
C[C@@H](SCc1ccccc1)C(=O)N/N=C/c1ccccc1OCc1ccccc1	408719894	OLSCQKOBKHLWMF-DUYBAWCLSA-N	404.535	5.038	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1	408787324	XQYPPGJNGXEVLA-SSZFMOIBSA-N	414.490	5.415	50	40	HKGB	
Cc1nc2sccn2c1C(=O)N/N=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408867826	OBURGWIPFHITKS-NKVSQWTQSA-N	419.293	5.035	50	40	HKGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	408883651	UEZZROJHAAIISN-VZUCSPMQSA-N	411.672	5.210	50	40	HKGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1	408951633	JIKOHPUUNMENKF-KAMYIIQDSA-N	412.276	5.338	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1cc(Cl)cc(Cl)c1	3166045	FCJHIJDCIBUXRO-UHFFFAOYSA-N	424.356	7.208	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	6205992	XDNDWWWLSJIPFR-UKTHLTGXSA-N	404.297	6.541	50	40	HKGB	
CSc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1	6454143	PAKJUZBVAPTJQI-INIZCTEOSA-N	400.956	5.334	50	40	HKGB	
N#C/C(=C\Nc1ccccc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2Cl)cs1	9009035	ZXVTXZLAMGXNAD-PKNBQFBNSA-N	417.277	6.002	50	40	HKGB	
Cc1sc(/C(C#N)=C/c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1	9058923	QNIXLWCVILPFLL-XNTDXEJSSA-N	415.743	6.599	50	40	HKGB	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c2ccccc21	14152189	FVTSBTWSMAKXSH-LFIBNONCSA-N	414.534	5.580	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	16429986	VCKXFWHAKXMYKK-RAXLEYEMSA-N	416.695	5.983	50	40	HKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(OCc2ccccc2)cc1	59474261	SYBJGLBBJVMULS-STPJHCLOSA-N	424.953	5.550	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc(Cl)c1	408598776	JOFAVNCAACGXMI-ODLFYWEKSA-N	424.725	6.746	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC	408787500	AZTVUFYFVOBVLC-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1Cc1cc(C)cc(C)c1	408871289	YHQIPDYJEXUYLV-PCLIKHOPSA-N	424.544	6.011	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OCC	409072243	MTJRSFWRAQCQNK-XMHGGMMESA-N	422.912	5.578	50	40	HKGB	
C1=C(C2=N[C@H](Cc3ccccc3)CO2)[C@H](P(c2ccccc2)c2ccccc2)CC1	1857777457	YNQBFWDXHNWFIH-ATIYNZHBSA-N	411.485	5.248	50	40	HKGB	
CCCCCO[C@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615237	WBVUMHHXJVFTPE-BONVTDFDSA-N	408.130	5.209	50	40	HKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OCC)cc3)cs2)cc1	4806466	CMACIKGGDOVPSX-KNTRCKAVSA-N	419.550	6.364	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1	6148451	IMUATMBOSVWBNA-LDADJPATSA-N	421.497	5.207	50	40	HKGB	
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C\c2c[nH]c3ccccc23)cc1	16323408	VYVXTUCYSMDSLK-QRQIAZFYSA-N	411.505	5.023	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	20763745	IVWAVBIIVORPRO-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
CC(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1	33704264	DCXXTQISQDOVPD-JCMHNJIXSA-N	411.936	6.926	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(OC)c1	33870169	UVBTUSORBDEHDF-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
N#C/C(=C\c1ccc2[nH]c3cc(Cl)ccc3c(=O)c2c1)c1nc2ccccc2s1	96306124	FLCZQNFKCLZSPM-NTEUORMPSA-N	413.889	6.009	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc21	208445265	BLOJWIQURSFNJV-GRSHGNNSSA-N	407.521	5.327	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(N)=S)cc(Cl)c1OCc1ccc(Cl)cc1	408545181	ZJRWPTJBIFLNKK-VGOFMYFVSA-N	407.322	5.164	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	408555903	ZSMUAMHYNMFAMA-RVDMUPIBSA-N	417.465	5.443	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)c1	408746071	XABLLPHXRAPDFL-ZHZULCJRSA-N	402.881	5.773	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c3ccccc32)c1	408812530	NDEIHADHPGXNPK-AZDRQPJBSA-N	411.549	5.600	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c(Cc2cc(C)cc(C)c2)c1	408878286	ZOOSDMUCXSLVKE-HYARGMPZSA-N	414.480	5.588	50	40	HKGB	
O=C(COc1cccc2ccccc12)N/N=C\c1ccc(Sc2ccccc2)o1	408997294	NMZYUJWDFIMINH-IWIPYMOSSA-N	402.475	5.113	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C	627260095	LHVAJZMYZDQMQT-QZRIYQARSA-N	407.126	8.715	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	1192126	NKDPTFYPNYPNKD-QGOAFFKASA-N	405.885	5.302	50	40	HKGB	
CC(/C=C/c1ccccc1)=N\NC(=O)c1ccc(COc2cccc3cccnc23)cc1	5863384	MMBWNVDBLMAZPR-XCXGSTHYSA-N	421.500	5.633	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C(=O)NCCc1ccccc1	33567646	IJHAPJWGBLPWID-ATVHPVEESA-N	411.288	5.519	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	39348270	MQLACWDEVHBEIZ-KGVSQERTSA-N	417.273	5.615	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1ccccc1Br	59435842	IDSXPOVHXBHXIY-UHFFFAOYSA-N	422.367	5.165	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2[C@@H](C)CC1(C)C	223529278	QZQREMDDVZJDIN-IXORVSQSSA-N	423.944	5.962	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408719689	JUPJTXAOTCYKTC-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1	408788117	BDKFCNNWFFYBLR-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)cc1	408889988	MFHJXUWLTLMXTP-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C\c1ccc(Sc2ccccc2)o1	408995571	BDKAIFCJUGOXEA-JJFYIABZSA-N	421.305	5.267	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C#N)cc1)C(=O)Nc1ccccc1	409142586	AXMKHBXRGYUKAW-UDWIEESQSA-N	413.864	5.336	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)cc1	409359251	ASJKNGBDJPTRFZ-QQXSKIMKSA-N	406.913	5.174	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1cccc(F)c1	409394104	VRYHGUXAMRGIPU-ODLFYWEKSA-N	408.270	6.231	50	40	HKGB	
CC(=O)C1=C(C)NC(SCc2ccccc2C)=C(C#N)[C@@H]1c1ccccc1[N+](=O)[O-]	1084878	UMVFRMBUCKSHJT-QFIPXVFZSA-N	419.506	5.122	50	40	HKGB	
Cc1ccc(NC(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c(C)c1	1801162	NHMWGCDTQAYUQC-HOTGVXAUSA-N	411.137	5.142	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2)ccc1OCCOc1ccccc1OC	4196631	MIJLOBGWHWACPF-XLNRJJMWSA-N	415.489	5.616	50	40	HKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@@H](Br)c1ccccc1)c1ccccc1	8471155	FAAYUPUOVJOZCR-FPOVZHCZSA-N	409.279	5.231	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)cc1	59250423	JBXXYNSCSAQRLW-SSZFMOIBSA-N	406.283	5.094	50	40	HKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N2	222405804	SJSDAHHZYJBBPN-RPVOVOJPSA-N	408.505	5.062	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H](N=C=S)[C@@H](C(C)=O)[C@@]4(C)CC[C@H]32)C1	253616845	OTQCKYVOOJVJQT-QZIXFFPWSA-N	415.599	5.167	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1ccc(Cl)c(Cl)c1	408587573	SAAKDCQRYMPOJD-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
CO[C@H](C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1	408719452	FFYGFVYRZXNRRL-CUVDRZIWSA-N	424.500	5.257	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1	408739297	VHCAXYAVZTZDTA-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
Cc1cccc(C(=O)NNC2=C(C(=O)C(F)(F)F)CCCCCCCCCC2)c1	1083921003	PJJBOEODOBFCCT-UHFFFAOYSA-N	410.480	5.530	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc(Cl)cc1	1469083	DAOUOQCZMYFICK-YVNNLAQVSA-N	407.688	5.191	50	40	HKGB	
Cc1cc(C)c(C(=O)[C@@H](Br)[C@@H](Br)c2ccccc2)c(C)c1	1593890	NQIDOKJBMUNLID-IRXDYDNUSA-N	410.149	5.694	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1	2294806	PSKFTFPHGSTJAT-XSFVSMFZSA-N	414.461	5.286	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	3226903	UHCWMJTZMCQPGP-CAPFRKAQSA-N	420.472	5.094	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1	9404898	AYNKWEVITVTTGP-UVTDQMKNSA-N	419.859	6.767	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(Cl)cc4Cl)c3C)[nH]c2c1	35169039	ZIMQYRSYMNXRSV-YVLHZVERSA-N	421.331	6.650	50	40	HKGB	
c1ccc(P(=Nc2cnc3ccccc3c2)(c2ccccc2)c2ccccc2)cc1	98006103	CSSGQRQPPFJHBU-UHFFFAOYSA-N	404.453	6.044	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O[C@H](C)CC)c(OC)c2)cc1	107848558	ZNFYFVOHSQYLFP-JQFNYASXSA-N	412.917	5.634	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	109417660	CYHNYSLFGKAWDN-PGMHBOJBSA-N	424.972	6.933	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)c1ccc(Br)cc1	408581252	VMPNOWWFVGTNBC-CPNJWEJPSA-N	408.270	6.231	50	40	HKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2c1	408797721	SNRXJIUWQZOIAB-MHWRWJLKSA-N	406.869	5.365	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2C)c1C	408968837	ZQGMVWCXRRKIEG-BKUYFWCQSA-N	417.940	6.164	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(I)cc2)c(OCC)c1	409367923	NYXNHXGSOUARRU-WJDWOHSUSA-N	419.262	5.153	50	40	HKGB	
N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cccs1	705629	BYLJRSSQAMQTCB-GOSISDBHSA-N	415.440	5.072	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4592626	AWGFBOMWGBKOJZ-UMVGZDFWSA-N	414.549	5.790	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1ccc(Cl)cc1	5799973	KVRXSTQXQDIQCG-XMHGGMMESA-N	411.892	5.889	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccccc1	6410543	YKDGQPSZCANEDZ-NNIWKIFQSA-N	404.554	5.772	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	11853100	FYLBHSNVPFKEQO-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2Cc2ccccc2Cl)cc1	33652840	ZUBVTGKSSZNOFA-PXLXIMEGSA-N	411.936	6.926	50	40	HKGB	
CC(C)[Si](OCC/C=C\[C@@H]1CCC(=O)[C@@H]1[C@H](O)C1CCCCC1)(C(C)C)C(C)C	195772782	AIFDEPAJGQREQC-SUTXBDQOSA-N	422.726	6.661	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1	408724674	DLDDEXVAOYSSHQ-MOSHPQCFSA-N	424.327	7.035	50	40	HKGB	
Cc1ccc(-n2cccc2/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl	409016852	WDHUBVMHWFHYGX-FOKLQQMPSA-N	406.700	5.510	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2ccc(C)cc2Br)cc1	1903489	FRAWSEHUFFANBT-FOWTUZBSSA-N	400.272	5.059	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc2ccccc2c1)c1cccc2ccccc12	6496714	NNQQCSAZNAIWNH-ZXVVBBHZSA-N	411.504	7.636	50	40	HKGB	
N#Cc1cccc(COc2ccc3ccccc3c2/C=N/NC(=O)c2ccc(F)cc2)c1	8812466	SYHAHPJCQJCKFD-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Br)cc1)C(=O)c1ccccc1	14150688	UZGVFYHTNIASJG-XSFVSMFZSA-N	418.290	5.818	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	17286319	RWLMQKZFQJOEBK-GHRIWEEISA-N	407.470	5.493	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1	33716870	RTAUPZBFPKULDW-ATVHPVEESA-N	417.336	6.498	50	40	HKGB	
COc1ccc(-c2oc(/C=C/C(=O)Cl)cc2Br)c(Br)c1	57353802	KHZGTGJZLALANG-HWKANZROSA-N	420.484	5.259	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(/C#N)c2ccc3ccccc3c2)cc1OC	408548567	IVNBPSBGJQMUEC-JAIQZWGSSA-N	420.306	6.240	50	40	HKGB	
N#C/C(=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc(C#N)c1	408566620	ICXSFSIJLMMQFA-ZDLGFXPLSA-N	412.361	5.231	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)c2ccc(Oc3ccc(OC)cc3)cc2)cc1	408723858	WCNKWUQHBOXGLW-NLRVBDNBSA-N	418.493	5.430	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1	408795242	UWYFDMPWOYKYCH-DEDYPNTBSA-N	413.864	5.336	50	40	HKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(C)c1	408798325	WCDCFHYJBBRRSE-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1	408935103	GRVSYUNBDHOCGO-MTJSOVHGSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(Cl)c2)o1)C(=O)NCCc1c[nH]c2ccccc12	408953924	QNUFBQPDWSVDSU-AQTBWJFISA-N	415.880	5.347	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1cccc(Br)c1	409214453	VIAPKYOGNGHIQH-WQRHYEAKSA-N	422.282	5.829	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F	867446	KGQVFHRRQLMKOG-UKTHLTGXSA-N	411.776	5.193	50	40	HKGB	
O=C(Nc1c(Cl)cc2c(c1Cl)Cc1cc([N+](=O)[O-])ccc1-2)C(Cl)Cl	1699681	HLTMHNSSABDIQB-UHFFFAOYSA-N	406.052	5.215	50	40	HKGB	
CC(C)(CCl)C(=O)Nc1nnc(Sc2ccnc3cc(Cl)ccc23)s1	2570228	ARXUZGGNWJJHGW-UHFFFAOYSA-N	413.355	5.094	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(Cl)cc1Cl	3191006	PLUOAKSFMOZDMA-UHFFFAOYSA-N	424.356	7.208	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)NCCc1ccccc1	5872157	RLDXNLAFHQBQPZ-DTQAZKPQSA-N	411.288	5.519	50	40	HKGB	
CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)SCCS1	6348158	JYCASJBTXNYXEA-KEBDBYFISA-N	415.367	5.290	50	40	HKGB	
Cc1ccc([C@H]2CC(=O)NC(SCc3ccc(Br)cc3)=C2C#N)cc1	6477718	PKYWTDIHXWUTJB-QGZVFWFLSA-N	413.340	5.030	50	40	HKGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=N\NC(=O)Nc2ccccc2)cc1	13893780	BVYMRTYLMIWUKZ-XYGWBWBKSA-N	423.900	5.262	50	40	HKGB	
CC(C)COC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)cc1	17113296	NVBRNCIORNGRJP-CPNJWEJPSA-N	403.507	5.599	50	40	HKGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	20898792	VVJBTCKHRCXLJL-UHFFFAOYSA-N	409.704	5.206	50	40	HKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccc1OCc1ccncc1	32035430	KCFXLLYCUOBJIC-UHFFFAOYSA-N	422.699	5.378	50	40	HKGB	
N#C/C(=C/c1cc(Br)ccc1O)C(=O)Nc1cc(Cl)ccc1Cl	33339767	DWDQCQLWMGLXRL-YHYXMXQVSA-N	412.070	5.007	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccccc1	35518969	DGXJOKLOHBEUMH-HNDQUVLASA-N	421.840	5.293	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	59254965	CPEKRYHQMMKDHN-NTEUORMPSA-N	419.706	5.355	50	40	HKGB	
CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(OCc1ccccc1)c1ccccc21	87493474	LYMPZBRSEKAAKW-GOSISDBHSA-N	423.940	6.496	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1Cl)[C@H](C)CC(C)(C)N2C	208211453	NWHBHMFJSWSMEW-KWRYHKOTSA-N	418.368	5.788	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC(C)(C)N2C(C)C	223591245	WZDGCTXERHLQJD-YSGZUTGPSA-N	422.529	5.168	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(OCc2cccc3ccccc23)c1	408764971	UOFUJNHWBIHGIZ-LFVJCYFKSA-N	418.496	6.273	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408846213	IWDBROBYZXOKIQ-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccccc2[N+](=O)[O-])cc1	408851346	BTAKRVOVJULELK-ONUIUJJFSA-N	424.460	5.125	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc3ccccc3c2)c1C	408962171	WWUJZZKNKRNXPG-OGLMXYFKSA-N	409.533	5.882	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)COc2ccccc2Cl)c1C	408962199	XFEWCYSAZPPDHY-WGARJPEWSA-N	423.944	5.147	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(C#N)cc2)o1)C(=O)Nc1cccc(Br)c1	409023500	FQYBCCGGEZJYSV-YBEGLDIGSA-N	418.250	5.126	50	40	HKGB	
O=C(O)c1cc(-c2ccc(/C=N/NC(=O)c3cccc4ccccc34)o2)ccc1Cl	409177588	AOWZATABWUJWBR-DHRITJCHSA-N	418.836	5.215	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)c2C)cc1	409190616	SYLMDZWWUXOLML-ZHZULCJRSA-N	415.493	5.047	50	40	HKGB	
O=C(N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)c1ccccc1O	3275274	ZCBNHWFRQHFUHL-ZXVVBBHZSA-N	407.473	5.626	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)ccc1Cl	8450409	OLECJNOGALCVIT-RVDMUPIBSA-N	417.852	5.717	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)c2ccccc2Cl)c(C)n1CCC(C)C	14128794	QNZUXKKYXYBYQY-XDHOZWIPSA-N	412.917	5.138	50	40	HKGB	
O=C(N/N=C/c1ccc2ccccc2n1)c1cc(-c2ccccc2)nc2ccccc12	18227709	MBGAUCSOXXIUBJ-WPWMEQJKSA-N	402.457	5.214	50	40	HKGB	
CCN1c2cc(C)c(/C=N\NC(=O)Nc3ccccc3OC)cc2C(C)=CC1(C)C	208517792	PXPQXQJGKYDHCN-MYYYXRDXSA-N	406.530	5.181	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3CC)c2C)cc1	408742539	ASJVLYONXYDORR-JWGURIENSA-N	413.521	5.601	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c(C)c1	408820279	VCCYCDCLPDCNRR-ODLFYWEKSA-N	421.903	6.049	50	40	HKGB	
COc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1	408856882	LVKUOAAOFNNMSN-KAMYIIQDSA-N	412.276	5.338	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1Cl	408937157	MNMBRJATBGBOFV-ODLFYWEKSA-N	420.871	5.912	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(C)n1-c1cccnc1	409232430	HRFUBPGMINLPED-YVLHZVERSA-N	410.399	5.054	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1OCC	409370692	TUYCQFWALJULIS-WJDWOHSUSA-N	419.262	5.153	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(O)cc2)c1C	1093708	HVRRVUYOQIMLJG-LDADJPATSA-N	405.885	5.307	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(C)c1C(Cl)Cl	3013935	UTFICASJVJTEOX-KRWDZBQOSA-N	405.325	5.231	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1	3309262	SQXOMWPAYAUEPM-PXLXIMEGSA-N	403.478	5.076	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	5586784	VWAHEWDKPMSGAC-VULFUBBASA-N	417.896	5.116	50	40	HKGB	
CCCc1ccc(OCC(=O)N/N=C/c2ccccc2Sc2ccccc2)cc1	6998110	MFFNPUVYZCGQBC-KOEQRZSOSA-N	404.535	5.319	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccccc1Cl	59197887	SXVVDESYAQIONO-YDZHTSKRSA-N	414.914	5.143	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	59421129	DPUQZOMBAYTZNO-MZJWZYIUSA-N	414.427	6.027	50	40	HKGB	
CC1(C)Nc2ccccc2C2=C1SS/C2=C\c1c2ccccc2nc2ccccc12	104447468	IGAKARFSCDLQNF-HAHDFKILSA-N	424.594	7.739	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1)c1ccccc1F	108162573	LKNAQDZGMMBVFT-SXGWCWSVSA-N	416.254	6.915	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2[C@H](C)CC1(C)C	208316435	TXHJZHPBWJFLFE-ZWAQGKOVSA-N	415.581	6.270	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cn(Cc3ccccc3F)c3ccccc23)cc1OC	408579995	MKYAUSSZPZVKAN-DEDYPNTBSA-N	412.464	5.910	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)cc2)c(C)c1	408797134	GGPGNZKVWYBLDJ-NPMDZRKSSA-N	416.565	5.793	50	40	HKGB	
CCCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)c1	408933488	AHEHUVHNBIUMKE-JWGURIENSA-N	412.489	5.600	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1C	409005114	COYQHEGNNZSWFW-MZJWZYIUSA-N	409.574	5.166	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)cc1	1191600	SRIASZIZFDCCKU-JCMHNJIXSA-N	413.521	5.772	50	40	HKGB	
CCCCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(N(CC)CC)cc2)cc1	3225933	ZSWLIEZYCKODIU-HEHNFIMWSA-N	419.525	5.035	50	40	HKGB	
Cc1ccc(Cl)cc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	9445049	HEJKUKIJIGBUKW-RVDMUPIBSA-N	419.893	5.855	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)c(C)c1	17026020	LOUIGDZTWJGSQV-CPNJWEJPSA-N	417.534	5.969	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1	33580807	CCXRPALASPLXPK-BRPDVVIDSA-N	420.512	5.548	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	96476430	JMEIVHGCFJUYNX-AUWJEWJLSA-N	419.695	5.513	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1	97981609	BSYCLQZJZYVINS-PYCFMQQDSA-N	414.549	7.006	50	40	HKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1cccc2ccccc12	100927743	RYSYWPMWPCLFMO-DHRITJCHSA-N	414.292	5.281	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208457127	LCGMIIVFKSRZFM-LGJNPRDNSA-N	421.928	5.790	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)c3ccc(Br)cc3)cc2[C@@H](C)CC1(C)C	223550751	APTSRJMQQBWMTF-BRLDDBHUSA-N	423.398	7.014	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2cc1C	408542906	LNTHXHDTGGYJHP-DEDYPNTBSA-N	424.460	5.731	50	40	HKGB	
C=CCn1c(C)c(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc21	408765857	RAHRFUVCCXXZAZ-VBKFSLOCSA-N	420.310	5.444	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1Cl	408789771	LEKWGSWBSPCPON-VGOFMYFVSA-N	419.695	5.513	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1	408811536	LPOZBUZXCJBNIS-XDHOZWIPSA-N	403.312	7.061	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	408812659	NHAFMJDWOKYVJP-ODLFYWEKSA-N	417.965	6.624	50	40	HKGB	
CC(C)c1cc(/C=N/NC(=O)c2ccccc2Br)cc(C(C)C)c1O	408858189	XMVCQYCLTCJBIB-SSDVNMTOSA-N	403.320	5.165	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408968817	ZMNHRYFGIPHQLZ-QQXSKIMKSA-N	418.541	5.556	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)cc1	409273456	YGFOFMRHPBQSIB-MTDXEUNCSA-N	414.549	5.564	50	40	HKGB	
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)C1	672467	DAEGUDVXADWEEG-LGADCTONSA-N	401.510	5.266	50	40	HKGB	
COc1ccc(C(=O)NNc2nc(-c3ccc4c(c3)Cc3ccccc3-4)cs2)cc1	2064274	CJFNIWXXLNDLOL-UHFFFAOYSA-N	413.502	5.147	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc(C(C)(C)C)cc1	4106969	JERXIGPLXDZKLX-RWPZCVJISA-N	416.500	5.166	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1C	4704872	WZHPWVPFAINIOQ-XDHOZWIPSA-N	404.554	6.150	50	40	HKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3cccc4ccccc34)s2)cc1	4749784	DPGIBNWQLBGOFS-KGENOOAVSA-N	409.514	5.741	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)Nc1sc2c(c1C#N)CCCC2	14151973	SKTFAJHMAOCCLN-KPKJPENVSA-N	402.306	5.351	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)[nH]c2c1	33758710	YTXDWOXEEHDQNQ-NDENLUEZSA-N	409.445	5.213	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(Br)cc2)c(C)n1-c1ccccc1F	35363072	COHUNIXPAZUFLO-ATVHPVEESA-N	423.285	5.786	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1	59224818	HZSRJKKGKGUXIL-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1	59296902	UILUBUMCLVMJBQ-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccc(F)cc2[nH]1	408565835	BAMOMLDBNWILEH-XFFZJAGNSA-N	408.776	5.588	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1Cc1ccccc1F)C(=O)Nc1ccc(F)cc1	408873631	UBSYDBFFUPTZDO-LDADJPATSA-N	408.835	5.755	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)c1	408881689	JZOVDNNSFBWGRU-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)o1	408983687	NKYYIBPUOPBYQQ-WJDWOHSUSA-N	420.852	5.461	50	40	HKGB	
Cc1ccc(C(C)C)c(O[P@](=O)(c2ccccc2)c2nc3ccccc3s2)c1	3166460	IILFQDFMWMWASZ-HHHXNRCGSA-N	407.475	6.036	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc(-c3ccccc3)c(NC(=O)CC)s2)ccc1O	4980762	BIQBAKQNKFXKOC-SFQUDFHCSA-N	419.506	5.327	50	40	HKGB	
N#C/C=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1	33664307	VWUFWOZKDLXROS-DUXPYHPUSA-N	411.068	5.466	50	40	HKGB	
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3ccc(CC(C)C)cc3)cs2)c(C)c1	85879244	FHQZKSJRFRMMQU-HYARGMPZSA-N	401.579	6.910	50	40	HKGB	
Cc1ccc(F)cc1N/C=C(\C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	100843704	RHKAYRASIADTQI-RVDMUPIBSA-N	403.438	5.341	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc2ccccc2c1	108031792	YYXCOHKVYSQTGW-JLPGSUDCSA-N	402.472	7.046	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(Br)cc3)c2C)cc1	408534182	VESURXJJNPZTEY-UYRXBGFRSA-N	407.311	5.929	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1	408605919	ZEZYAABXNWWDRY-RVDMUPIBSA-N	410.832	5.683	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccc(C)cc1	408778332	DSWFQNRLQBSJIA-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3)c2-c2ccccc2)cc1	408782780	JMZQJKWCGBXQKP-MOHJPFBDSA-N	417.512	6.307	50	40	HKGB	
CC(C)c1cc(/C=N/NC(=O)c2cccc(Br)c2)cc(C(C)C)c1O	408846507	NSMQLHJRHFTPDI-SSDVNMTOSA-N	403.320	5.165	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]12C	627260098	LHVAJZMYZDQMQT-UKCFDWNUSA-N	407.126	8.715	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3Cl)s2)cc1	954203	LDRNHJGOSJTVCM-GZTJUZNOSA-N	423.925	5.332	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)cc1OC	2758463	ASCVYFPMMCHRIO-FSJBWODESA-N	416.930	5.424	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C	3209734	KKOYRPKEABKYOV-CJLVFECKSA-N	418.500	5.702	50	40	HKGB	
O=C(N/N=C(\c1ccccc1)c1ccc(C(F)(F)F)cc1)c1cc2ccccc2[nH]1	4591212	SECVABZUOSMHKV-SGWCAAJKSA-N	407.395	5.369	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OCc1c(F)cccc1Cl	4681261	RXHZVOFVURFLSI-XNTDXEJSSA-N	401.865	5.589	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1)c1ccc(F)cc1	8812336	RSQPQYLCAQDLPS-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
COc1cc2c(cc1N/C=C(\C#N)c1nc(-c3ccccc3)cs1)oc1ccccc12	8837762	NUPBGGGEUSTKNR-SAPNQHFASA-N	423.497	6.695	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1cccc(F)c1	408871017	XBKJTHXNHAGYHE-XDHOZWIPSA-N	404.416	5.110	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)c1	408952016	JOQWMXJGLXVBJN-MXAYSNPKSA-N	413.304	5.645	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)cc1	409001589	WQEWMFNWQCIICY-PCLIKHOPSA-N	415.518	5.602	50	40	HKGB	
O=C(CCC(=O)Nc1ccc(F)cc1)N/N=C/c1c2ccccc2cc2ccccc12	4358638	FHCYPWJJBYCNCO-JVWAILMASA-N	413.452	5.001	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc(Cl)c1OC(C)C	4525087	XKVLWKRLTXEZDM-SXGWCWSVSA-N	414.889	5.080	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)COc3ccc(Cl)c(C)c3)ccc21	4676203	KAHSJISBBLZUKE-VULFUBBASA-N	419.912	5.305	50	40	HKGB	
O=C(NN=C1CCCCCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	5784271	HOGKPDZSPRSEQR-UHFFFAOYSA-N	412.533	6.373	50	40	HKGB	
COc1ccc(C(=O)N/N=C(\C)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	14923506	RIPHGPDLCJGTSR-PCLIKHOPSA-N	408.885	5.082	50	40	HKGB	
CC(C)/N=C1/CCC[C@@H]1C(=S)SSC(=S)[C@@H]1CCC/C1=N\C(C)C	17106301	SNLSXBAIXLUAAE-APFMVPJISA-N	400.704	6.322	50	40	HKGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3F)cc2s1	20132412	JJAXTJVIGRCWQI-ZDUSSCGKSA-N	423.307	5.126	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	59296920	NMRYHVYRADVBGA-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1cccc(C)c1	59432882	ADUMWWZNTZXKAA-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1	209377267	MXBBPFNKRMLTFF-PTNGSMBKSA-N	412.367	5.520	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@@H](c2ccccc2)S1	226644041	TWLQYWPBHJODKX-GHNDVERHSA-N	407.495	5.012	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)cc1	408583934	YVUBUSPLWPASPW-UDWIEESQSA-N	419.864	5.690	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	409216127	FLZIPKVKMYTEPB-JLPGSUDCSA-N	406.441	6.391	50	40	HKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4F)CC(=O)N3C2)cc1	4923526	QHWHPYQLJMOHDI-HXUWFJFHSA-N	421.541	5.388	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccc(Cl)cc1	5739684	REQISYISSAFWEG-VULFUBBASA-N	417.896	5.370	50	40	HKGB	
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2cccc(C)c2)cc1OC	12955365	BJINLCWZWZNKMX-JCMHNJIXSA-N	421.500	5.929	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c1C	28216209	ROYGURCBTFQJIM-ZMOGYAJESA-N	411.958	5.298	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1cccc(C)c1	33668961	QDLQLXKMYDRJFA-MTJSOVHGSA-N	400.434	5.555	50	40	HKGB	
CCOc1ccc(/C=N/NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c2ccccc12	33777988	HVSUZDSDGVCJKL-YDZHTSKRSA-N	419.462	5.125	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2F)c1	408866349	HSVDWYSUPJNCIR-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc([N+](=O)[O-])cc1	409199403	CYEKXHYVNLYTFF-QNGOZBTKSA-N	424.431	6.530	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)c1	1195865	LKSGKAWFLTZYBX-UDWIEESQSA-N	414.465	5.165	50	40	HKGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(Br)cc3)cc2)cc1	3088550	WCKREEUQRXTTTB-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4724542	RFZSEVOBOGHIBK-UZBCPCOASA-N	404.510	5.022	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC	5984770	ZIFBOJJLOWCGQX-CAUYNWHBSA-N	410.901	5.443	50	40	HKGB	
Cc1ccc(N[C@H](c2ccccc2)[C@H](SC#N)C(=O)c2cccc3ccccc23)cc1	16293178	BOPGCMCJMKWRLN-VPUSJEBWSA-N	422.553	6.767	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1	59266495	QBHXWBJOOFVHQG-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)cc1C	59292077	HBXLDLVQQCYKHQ-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cc4ccccc4o3)o2)c(Br)c1	59304529	CZDUPZXKFVFTLW-FSJBWODESA-N	423.266	5.528	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2[C@H](C)CC1(C)C	208314010	HBNXDCRBLPZCOU-UOIFGXKSSA-N	401.554	5.961	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1	408743910	CIJXFSPEDPLFDP-ZHZULCJRSA-N	413.433	5.028	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	408745414	RWWNTSMPIPDRTQ-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408791637	ZZVYOUHUCYXAGK-VGOFMYFVSA-N	405.281	5.255	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1cccc(Cl)c1	408806594	FQVFIXPHQVLSMV-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408866823	GUWARIKWCBVRKT-WOJGMQOQSA-N	408.835	5.755	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)s1	409022635	DXCKABORPTXWHF-SSZFMOIBSA-N	424.978	6.661	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2Cl)c1C	409062791	AUUSCNQBYREJCW-QGOAFFKASA-N	405.885	5.302	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(OCC)c1OCC	409065847	NUZDJULAEUCUOX-QGOAFFKASA-N	410.901	5.412	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCC	409074172	KRTCHDKNHCMJKW-LDADJPATSA-N	410.901	5.412	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O[C@H](C)CC	409203660	ZVWPZOGMURJVAM-AYCSXLNKSA-N	400.862	5.888	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OCC	409352023	XXGVGRXZEBVGTR-DHDCSXOGSA-N	406.707	5.964	50	40	HKGB	
CSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2310606	HWSPTOSZKPYTBP-QFIPXVFZSA-N	402.519	5.058	50	40	HKGB	
CC(C)(C)c1ccc(CSC(Nc2cccc(C(F)(F)F)c2)=C(C#N)C#N)cc1	2313647	JVPWPGKMOUYZDI-UHFFFAOYSA-N	415.484	6.607	50	40	HKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(C2CCCCC2)cc1	4085013	ZBVYEGGOQOMPPX-MYYYXRDXSA-N	410.970	6.756	50	40	HKGB	
C/C(=N/NC(=O)c1sc2ccccc2c1Cl)c1ccc(NC(=O)C2CC2)cc1	4144655	PSEPAMOWJYKPBV-MSXFZWOLSA-N	411.914	5.057	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(Cl)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	5022961	GVFMYJGEGCYYFQ-XFXZXTDPSA-N	400.822	5.487	50	40	HKGB	
N#C/C(=C/Nc1ccc(Cl)cc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	9330660	MSYTVHONEHYAIJ-XFXZXTDPSA-N	417.277	6.002	50	40	HKGB	
CC1(C)C=C([C@@H](Br)c2cccc(Br)c2)C(=O)c2ccccc21	16973576	BMPIYTWTRDRZMO-KRWDZBQOSA-N	420.144	5.986	50	40	HKGB	
N#C/C(=C/c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1)c1nc2ccccc2[nH]1	33921160	IYWOQQBSPLVJHT-AXPXABNXSA-N	412.456	5.568	50	40	HKGB	
CC(C)c1ccc2oc(-c3ccc(Br)c(NC(=O)CCl)c3)nc2c1	226328418	LQRVMXPDYJZAFI-UHFFFAOYSA-N	407.695	5.558	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OC	408541347	ZEAJOODDPBCAPI-YSMPRRRNSA-N	422.447	5.437	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	408747212	KOPLEPMLPWZNKK-ODLFYWEKSA-N	424.331	5.624	50	40	HKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1cccc(C)c1	408843824	AHHJOOLPPSBOBS-QRQIAZFYSA-N	424.500	5.813	50	40	HKGB	
N#C/C(=C\c1c(O)ccc2ccccc12)C(=O)Nc1ccc(OCc2ccccc2)cc1	408884741	YHYITZIAXUFOJT-LTGZKZEYSA-N	420.468	5.670	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OCC	409067810	PZYASXXCOKPNKK-RCCKNPSSSA-N	402.494	5.233	50	40	HKGB	
C[C@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(Cl)cccc1Cl	1768154	OWGGOZUGOSNXBF-YPZZKDGISA-N	410.351	5.234	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc4ccccc4c3)o2)cc1Cl	3034467	ZRRHEWGLYLSJAX-MZJWZYIUSA-N	417.896	5.624	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3ccc(C4CCCCC4)cc3)c2[C@@H]1c1cccs1	5491276	QTCFPIMJSFKTHK-IBGZPJMESA-N	402.523	5.404	50	40	HKGB	
N#C/C(=C\n1c(=S)[nH]c2ccc([N+](=O)[O-])cc21)C(=O)c1ccc2ccccc2c1	5734165	BSCJVNNYCAJOGY-FOWTUZBSSA-N	400.419	5.008	50	40	HKGB	
N#C/C(=C\Nc1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2[nH]1	13042899	QHGPPNBFPKGDAL-SAPNQHFASA-N	400.869	5.772	50	40	HKGB	
Cc1ccc(OCCCOc2cccc(/C=N/NC(=O)Nc3ccccc3)c2)cc1C	27842944	RBAHNMRQFIXHBY-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	40961686	WTJSXDOKHUMAKL-ZVHZXABRSA-N	410.926	5.161	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC	59336469	WEUGEIIYMUIMAU-VBKFSLOCSA-N	401.293	5.666	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)c1ccc(Cl)cc1Cl	408581767	ZFTHBOCNUIYDQB-LICLKQGHSA-N	414.719	7.290	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c2ccccc12	408734752	JCPQCXQFGFKYLJ-NBVRZTHBSA-N	404.897	6.218	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1cccc2ccccc12	408783580	NBTCBJCZFYTWMB-HMAPJEAMSA-N	414.505	5.249	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	408791582	YZQJGHSDWXDVAJ-WYMLVPIESA-N	410.882	5.638	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cc2ccccc2o1	408851256	WXJLZKKDFQSMTF-JJFYIABZSA-N	409.785	5.018	50	40	HKGB	
O=C(N/N=C\c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O)c1ccc(Cl)cc1	409076940	CMYGCYOJONTELL-WGARJPEWSA-N	408.929	5.277	50	40	HKGB	
Cc1c(/C=C(\C#N)c2cccc3ccccc23)c2ccccc2n1Cc1ccccc1C#N	409311162	FPCPYKNJMZAFMW-KOEQRZSOSA-N	423.519	7.087	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3088067	BZYAQTOOFAVYCS-BHGWPJFGSA-N	417.292	5.399	50	40	HKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2)cc1	4679684	ZLHJXCARCLAYGT-VWLOTQADSA-N	404.469	5.637	50	40	HKGB	
C/C(=N\NC(=O)c1nc2ccccn2c1C)c1ccc2c(c1)Nc1ccccc1S2	4863945	KXZABUKMLTVVDX-VULFUBBASA-N	413.506	5.005	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)c1cc2c(ccc3ccccc32)o1	9136933	XHEQMCDXZNRROB-OGLMXYFKSA-N	418.452	5.515	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1C	59291908	FWPNJGRIONNATR-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
CC(C)c1ccc(N/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1	100082687	MAHMJBNRSZXUQK-AQTBWJFISA-N	413.502	6.016	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@H]2C)ccc1OCc1ccccc1	408798411	DYPWFBLOFCKKNE-IPTSKQAFSA-N	418.537	5.266	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c1	408808245	DRRHCYUKGHCCKO-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(/C=N\NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)cc1C	408856670	QUCZCYQXKKPVSM-VEILYXNESA-N	423.516	5.534	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(F)c(Cl)c1	6044011	LCVXMRFEHBLBDQ-YBEGLDIGSA-N	409.848	5.138	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(C)cc3)c2)cc1	20197610	AHRYYLIMYVJAAJ-YZSQISJMSA-N	402.494	5.127	50	40	HKGB	
N#C/C(=C/c1ccc(OC(=O)c2ccc(Cl)s2)cc1)c1nc2ccccc2[nH]1	33933014	NAQCFFOUPGNTRC-KAMYIIQDSA-N	405.866	5.561	50	40	HKGB	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	48287713	YDHRUDXUHCCRIX-GDNBJRDFSA-N	411.292	5.342	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC(C)(C)N2C(C)C	223591314	WZDGCTXERHLQJD-NFXIUMSZSA-N	422.529	5.168	50	40	HKGB	
Cc1ccc(N2Cc3ccc(C(=O)N/N=C\c4ccc(Cl)cc4Cl)cc3C2)cc1	408733208	GHJYROOMPIFLFJ-ZRGSRPPYSA-N	424.331	5.586	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)cc1Br	408759411	DNKLKGLIYWSYNE-LICLKQGHSA-N	407.267	5.157	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)c(C)n1C1CCCC1	408772450	PJGXTIXUSBUNFL-ATVHPVEESA-N	412.331	5.528	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)cc2)cc1	408795451	VLJJMHZQDKCADN-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1	408981331	AUFKUHILRHGJDX-BKUYFWCQSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1C	409188855	GXPQEVQESXBMOW-WYMPLXKRSA-N	413.930	5.263	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	409377274	HJWCAQPSNCJVSD-NDENLUEZSA-N	405.885	5.015	50	40	HKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)s2)cc1Cl	954316	UNPOBWDBOPOPEZ-LZYBPNLTSA-N	411.889	5.381	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1ccc(Cl)cc1	2377731	UXEGJZWNMRTLOU-YDZHTSKRSA-N	414.914	5.143	50	40	HKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(C)cc2)s1	2553588	FOPRDDKLQHOVHC-XSFVSMFZSA-N	415.518	5.153	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	2848255	FACFFLIJJWNWBN-MHWRWJLKSA-N	416.702	5.577	50	40	HKGB	
O=c1c2cc(Cl)ccc2nc(CBr)n1-c1ccc(Cl)cc1Cl	3131511	PDLRDGHKDVZIKC-UHFFFAOYSA-N	418.505	5.241	50	40	HKGB	
C=CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\NC(=O)CCCCC	5125418	UIMDAEHNKWUWJK-LCUIJRPUSA-N	405.567	5.582	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	5525132	YIVOKQXHHLDXQH-RCCKNPSSSA-N	406.526	5.817	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1OC	8197648	MHQMIXSTFRISOR-GRRFOWRYSA-N	402.853	5.211	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(SC(F)F)cc2)c(C)n1-c1ccccc1	13113011	BLNZJYXGUMVBOA-QGOAFFKASA-N	423.488	5.955	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NCc1ccco1	15012569	LDFOGLWBCOUQQW-PDGQHHTCSA-N	415.880	5.159	50	40	HKGB	
COc1ccc([C@H]2C(C#N)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1	19830937	AGPVIIMFWBKRHJ-HXOBKFHXSA-N	404.897	5.234	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OCC	28632493	QIBBAULVNPPRLU-AOUKMLRZSA-N	408.542	5.035	50	40	HKGB	
COc1ccc(C2=C/C(=C(/C#N)c3nc4ccccc4s3)c3cc(C)ccc3O2)cc1	32735802	SZPSFPSLCIHYLK-XUTLUUPISA-N	422.509	6.481	50	40	HKGB	
CC[C@@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	100491266	RQWFPJKYFHYRGL-UHNVWZDZSA-N	402.038	5.058	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	208473410	JMGPAHARXQCOJW-ODLFYWEKSA-N	419.956	6.080	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1	223548917	QTTCBIYJJAFBLM-IAFWPLRWSA-N	401.554	6.041	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(-n4c(C)ccc4C)cc3)c2C)c1	408754104	IMJOAPNLMOMOSB-OGLMXYFKSA-N	424.548	5.574	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NCCc1c[nH]c2ccccc12	1096996	LLDCYMMWTOUOCN-RCCKNPSSSA-N	407.473	5.226	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)NC1CCCC1	4673214	SCJZYQBOSWTDCK-GZTJUZNOSA-N	415.320	5.538	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1OC	16408416	PIVBHBVKVZJODV-MDWZMJQESA-N	424.806	5.312	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NC1CCCCC1	16450191	QHHCVTDXDXZLJJ-RGEXLXHISA-N	417.940	5.699	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1	33746526	BENHMUSISYWNLE-KQWNVCNZSA-N	420.468	6.700	50	40	HKGB	
N#C/C(=C1\C(=O)N(Cc2ccc(F)cc2)c2ccccc21)c1nc2ccccc2s1	49947090	ALTAURXYULRRKL-RELWKKBWSA-N	411.461	5.417	50	40	HKGB	
FC(F)(F)c1cccc(Br)c1P(c1ccccc1)c1ccccc1	96171643	RYOQHUGCPSLLGZ-UHFFFAOYSA-N	409.185	5.226	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	213090282	XCVGOHCDIJRRGE-UVTDQMKNSA-N	407.813	5.362	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Br)o1)c1ccc2ccccc2c1	408550257	FHDJEKGASRRALW-ZSOIEALJSA-N	403.073	6.022	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	408790066	MZPLXSWCGZOJMJ-VGOFMYFVSA-N	405.281	5.255	50	40	HKGB	
Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)[C@@H]3c2ccc(Cl)cc2Cl)cc1	999224	LOHAXWTWYPWHPV-IBGZPJMESA-N	411.292	5.014	50	40	HKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccc(C)o1	1453728	YVHSPPNRNHJFQT-GZTJUZNOSA-N	420.490	5.347	50	40	HKGB	
COc1cc(-c2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)o2)c(OC)cc1Cl	4149824	WNKIHJMSLWMFHR-UKTHLTGXSA-N	405.841	5.558	50	40	HKGB	
ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H](Cl)O[C@H](Cl)[C@@H]3[C@@]1(Cl)C2(Cl)Cl	263584179	LRWHHSXTGZSMSN-DBIXODFHSA-N	411.754	5.224	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(C)c(C)c3)cc2)cc1	408800334	MFLFSIRICQDDBJ-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2cccc(Br)c2)cs1	2279681	QGHLRPQGPJNXQF-JLHYYAGUSA-N	416.731	6.203	50	40	HKGB	
N#C/C(=C/c1cc2ccccc2nc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1	8400495	SDGLAJDNFDPGFQ-PXNMLYILSA-N	417.877	5.805	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)cc1F	11853094	IRZRNYDDHCXIJG-GXDHUFHOSA-N	414.303	5.997	50	40	HKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1c(F)cccc1Cl	58919259	IQDAFPLBKSTOGA-BRJLIKDPSA-N	410.901	5.432	50	40	HKGB	
FC(F)(F)C(=C(S[C@H]1CCC[C@@H]1Cl)C(F)(F)C(F)(F)F)C(F)(F)F	107509321	LQCMDVGAQUXIOF-WHFBIAKZSA-N	416.683	6.456	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc21	223486399	LOKFIJDSWCWKBD-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1	226333980	WSAMYWLFZATIOA-QHHAFSJGSA-N	420.517	6.114	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc2ccccc2c1	408551166	LUKWRXXDGTWFQD-QFEZKATASA-N	405.453	6.181	50	40	HKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NN=C(Cc1ccccc1)Cc1ccccc1	408727135	OSOBSVFWSJWJOV-GOSISDBHSA-N	422.981	5.778	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1F	408816304	JHHHCEMERBLODG-AQTBWJFISA-N	406.844	5.604	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(-c2ccccc2)[nH]c2c(OC)cccc12	408826773	CXWMVQIPQBVNIY-OBGWFSINSA-N	423.472	5.398	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc4ccccc34)c2C)cc1	408878990	DOYXXPRKNALTNF-XQNSMLJCSA-N	405.501	6.101	50	40	HKGB	
COc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409016793	JCHJRUILJUIAGL-MTJSOVHGSA-N	417.943	5.717	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2)cc1	409230406	DCRUGLMDSGJTAA-JXAWBTAJSA-N	404.922	6.345	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(F)(F)F)c1)c1ccccc1	409241504	OAKZSKMHVDPCKD-CQUHBBLWSA-N	409.411	5.280	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Br)cc3)cs2)c(C)c1	4817140	VLCRQXJZBGLBBM-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H](Br)C2=O	11990788	CAZOMVNBOBEWSG-VUCTXSBTSA-N	419.146	5.091	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1cccc(Cl)c1	59201494	KMGCJVYGPQGUBH-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccccc2)cc1)c1ccc([N+](=O)[O-])cc1	59473687	DJTSSPDXJWJAIP-XQNSMLJCSA-N	405.479	5.041	50	40	HKGB	
Cc1cccc(C[PH](C/C=C\c2ccccc2)(c2ccccc2)c2ccccc2)c1	104186934	FLJNUUWXDJJZNB-ATVHPVEESA-N	408.525	6.609	50	40	HKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1	408812013	AYMJAUVCRSQAHO-HKWRFOASSA-N	415.468	5.344	50	40	HKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cccn2-c2ccc(Br)cc2)c1	408858411	YWZSPSQRBNRCHW-XKZIYDEJSA-N	411.303	5.012	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408890013	MOHKLLCQRUTHHT-LICLKQGHSA-N	424.834	5.743	50	40	HKGB	
O=C(COc1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(-c2cccc(F)c2)o1	409011623	NYVPREACWXUXRY-YUMHPJSZSA-N	414.436	5.282	50	40	HKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	2849414	GDYBWQLOUBXQDD-BPKVKKHESA-N	420.734	6.353	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	9201222	XAGKXQVYXHYRDE-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@H]1c1ccccc1	15081954	NGMXVKDYFQRWBG-LJQANCHMSA-N	410.410	5.129	50	40	HKGB	
N#CC1=C(NC(=O)c2ccccc2)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1	36612671	LJFPKHXZIALJMI-XMMPIXPASA-N	402.453	5.529	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)CCn1c2ccccc2c2ccccc21	36624808	DHKKMIQYAQYVMO-VEILYXNESA-N	421.500	5.497	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2C(C)=CC1(C)C	208507410	XRZGPQABYHVLNL-OVVQPSECSA-N	412.537	5.263	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1F	408549446	SYMYJDDZZITOBP-OYKKKHCWSA-N	409.460	6.631	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1	408585407	DADAGEPFZRPJIH-NDENLUEZSA-N	424.327	7.035	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccc2ccccc2c1	408598947	LTZJJHFTIWZHOJ-WGOQTCKBSA-N	422.513	5.518	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)c2C)cc1	408765240	XMNXSWQYKXLZCD-DHRITJCHSA-N	414.336	5.727	50	40	HKGB	
COc1cccc(/C=N/NC(=O)c2cccc3ccccc23)c1OCc1ccccc1	408898541	WQGWHVXNGONSAH-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(-c3ccccc3)cc2)ccc1Br	408904979	RJRMVFLDAPSKED-UCQKPKSFSA-N	408.299	5.580	50	40	HKGB	
COc1ccc(/C=C2\CCCC3=C2OC(N)=C(C#N)[C@H]3c2ccc(OC)cc2)cc1	714355	ICMMKYOFRYNIBJ-OTRAAIJSSA-N	400.478	5.033	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1Cl	1439471	RCEIZGZVFNKZSW-IZZDOVSWSA-N	415.198	5.566	50	40	HKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc(OC)cc3)cs2)c1	4063845	UBOBUDWFAKUZIC-OBGWFSINSA-N	405.523	5.974	50	40	HKGB	
CC(=C/c1ccc(C(C)C)cc1)/C=N/NC(=O)c1ccc(Br)cc1O	5727451	ZISTVEKVMPHOIM-CIQAXZLMSA-N	401.304	5.097	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	59335453	ZVNCFBBIMPDLHT-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Br)c2C)c1	59426988	DHIISOOKPVPBNR-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)COc2ccc(F)cc2)cc1	100027702	JZVQPBAXZMOCNU-KOEQRZSOSA-N	400.494	5.094	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@@H](Cl)[C@@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	100074628	BIWJNBZANLAXMG-OTWKVKGHSA-N	409.782	5.683	50	40	HKGB	in-vitro
Cc1cccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3)c2)c1	408581335	WFDDAISQDSSKLR-DEDYPNTBSA-N	402.881	5.730	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409022485	QBRRAHVXGDIAJV-QINSGFPZSA-N	410.951	6.407	50	40	HKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(C(F)(F)F)cc1	409243940	ZHPZEVYDKDFDIV-FYJGNVAPSA-N	420.409	6.912	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3ccc(Cl)cc3)[nH]c2c1	409392036	NGBSVFRHHOJRLR-PDGQHHTCSA-N	415.880	5.868	50	40	HKGB	
CCCCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615234	WBVUMHHXJVFTPE-MEBBXXQBSA-N	408.130	5.209	50	40	HKGB	
CN(C)c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	2236107	VHMXKSNCPBUPFR-WPWMEQJKSA-N	423.601	5.136	50	40	HKGB	
O=C(c1ccccc1)[C@@H](Br)[C@@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-]	4416978	KPIWQKFMJGVSBC-HKBOAZHASA-N	424.294	5.435	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(C(=O)O)cc2)ccc2ccccc12)c1ccccc1F	33704150	ICLVOJWMJJHNOZ-QNGOZBTKSA-N	423.443	6.320	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1	33765089	LDNZQSATYLHQTK-CNMWFSFLSA-N	416.550	5.203	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)NC1CCCC1	59224922	WLDRXNLUXXSZHC-BOPFTXTBSA-N	415.320	5.538	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCc4ccc(Cl)cc4)cc3)[nH]c2cc1C	408544205	UAAIGPRPJHLTBB-DEDYPNTBSA-N	413.908	6.476	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)o1	408587849	VCZINLGRBJDBHT-JYRVWZFOSA-N	415.232	6.234	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cccc(F)c2)c(Cl)c1	408867054	JAZKBSREJPHPOG-FYJGNVAPSA-N	418.899	6.178	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	409371223	HBMFXYJUPPUXJP-MZJWZYIUSA-N	419.887	5.175	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc(C)c1	409390237	DRMKGFQCNAVMHA-JMIUGGIZSA-N	407.872	6.439	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)c1	2805770	CNQKRQDSAXBNKV-QNGOZBTKSA-N	421.500	5.552	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@H]2CC/C=C\CC/C=C/CC[C@H]12	4564943	CXSVWIBMCMBREG-ARFFBFOYSA-N	401.348	5.228	50	40	HKGB	
CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C	5441160	QOTYLQBPNZRMNL-UHFFFAOYSA-N	408.768	6.166	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccccc2)cc1)c1ccc(N2CCCC2)cc1	7386942	CLTXDHZMIZFIAI-XIEYBQDHSA-N	401.535	5.202	50	40	HKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccccc1Cl	9693167	WSFPTZBYIXUOSS-INIZCTEOSA-N	416.333	5.213	50	40	HKGB	
N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1	35227954	HPAZFBKYSLMOBX-LPYMAVHISA-N	418.283	5.904	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1C	59297331	QPTHJANPPQWOLE-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408579174	DBDCZHGARHXNKM-OQLLNIDSSA-N	406.707	5.964	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)Nc1ccc2ccccc2c1	408759130	YEGPMRCKHSHHBE-BUVRLJJBSA-N	404.469	5.964	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2cc3ccccc3o2)c(C)n1-c1ccc(C(C)(C)C)cc1	408807530	CPYVVQMMLUKJJO-YUMHPJSZSA-N	413.521	5.902	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1F)C(=O)Nc1ccccc1F	408890459	UCYJQIKSEFFSEP-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccccc3)s2)cc1	954187	IRIFYEORUOAVJA-CPNJWEJPSA-N	401.535	5.577	50	40	HKGB	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccccc2)s1	1905724	LAVQWDGUMVYRCC-CPNJWEJPSA-N	403.507	5.067	50	40	HKGB	
N#C/C(=C/c1ccc(OCCOc2ccccc2)cc1)c1ccc(Cl)cc1Cl	4196544	HIAMQNVJOGNQQN-JXAWBTAJSA-N	410.300	6.515	50	40	HKGB	
COc1cccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)c1OC	4940447	DUHPVTTXZIPNAN-LDADJPATSA-N	419.506	5.158	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)SCc3ccccc3)c2C)c(C)c1	28216700	WWCQWYKMOURCCD-YYHBXHNPSA-N	419.594	5.483	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1	59117020	WMXPZHCGJVZBIX-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2cccc3ccccc23)cc1	59335777	ODWNXKXLWUEEGL-ULJHMMPZSA-N	418.496	6.273	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1	408580165	AVEKAWLEPMNFKV-UDWIEESQSA-N	405.881	6.000	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3)n(-c3ccccc3C)n2)cc1	408723988	BTDLXMYCRLSFKB-WPWMEQJKSA-N	408.505	5.228	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)cc1C	408802752	GWSFVXZGSUEKQD-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccco1	408871574	ZAMMFOAURCJDBD-BHGWPJFGSA-N	412.276	5.353	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)c(Cl)c1	409052437	SKMYNJWUGHBQGA-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccc(F)cc1	409070173	NFHHSSAFNROKND-LFVJCYFKSA-N	413.492	6.596	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC(C)C	409216992	QLXSTMGOSQHMFT-NVNXTCNLSA-N	417.259	5.217	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	409364490	PWIFONCCLUNYLL-VULFUBBASA-N	400.400	5.221	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1	409366425	UZMCRKLQIIXXBF-YDZHTSKRSA-N	411.299	5.019	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1cc(Cl)cc(Cl)c1	1468371	ALHKZIUIJKOXGJ-YVNNLAQVSA-N	407.688	5.191	50	40	HKGB	
CC[C@@H](c1ccc(OC)cc1)[C@H](CN(CCCl)CCCl)c1ccc(OC)cc1	1667251	BRMHFXYLZCIKQI-XZOQPEGZSA-N	424.412	5.761	50	40	HKGB	
Clc1ccc2c(c1)[C@@H](Br)[C@H](Br)c1ccccc1S2	2193120	SHLLLFJUDXTXGP-ZIAGYGMSSA-N	404.554	6.377	50	40	HKGB	
N#C/C(=C\c1cc2ccccc2nc1SCc1ccc(Cl)cc1)c1ccccc1	4053158	DWNATDYGXJWTIC-PXLXIMEGSA-N	412.945	7.245	50	40	HKGB	
CCOc1cc(C(=O)NN=C2CCC(c3ccccc3)CC2)cc(OCC)c1OCC	5475069	MXTJKKVYWSSRTP-UHFFFAOYSA-N	424.541	5.326	50	40	HKGB	
N#C/C(=C\c1cc(OC(F)F)ccc1Br)c1nc2ccccc2s1	5604002	QULGFLFJXCWVHV-YRNVUSSQSA-N	407.239	5.724	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1C	5611039	QFPJCAPRJLNBFZ-KGENOOAVSA-N	417.940	6.164	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc(O)c2ccccc2n1	17200725	DJPDQJRRZJYDQB-FMIVXFBMSA-N	418.796	5.221	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	20764950	PPSVBJFNIIGLRA-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	33381631	OYUVMXFYFAOHAQ-GDNBJRDFSA-N	419.308	5.727	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c1	59201046	ILVCGQMSQYEUHV-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccccc1	59297273	YGPOLNFNUPWQIF-QWQBBLJPSA-N	400.453	5.189	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)C(=O)Nc1ccc(F)cc1	59535027	KMVWZWHXBYVOMC-UKTHLTGXSA-N	411.776	5.193	50	40	HKGB	
CN(CC#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118918448	JOKRPORJXQCDAP-GCAQEVDCSA-N	421.025	5.004	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)cc1OCC	408580895	SJPFQKVKESNZIB-RIYZIHGNSA-N	408.712	6.674	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)c1	408762460	KMNVVSCQCWXUSC-XMHGGMMESA-N	416.864	5.413	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CNc3ccc(Cl)cc3)o2)cc1Cl	409366566	WGXTUDNPLACYLJ-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	2324706	NHLUYZRWGPLPLZ-VULFUBBASA-N	403.869	5.315	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	109045326	NVDFRPVVQYIOTK-CPNJWEJPSA-N	402.519	5.797	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc21	208465348	KRZANEFLQLGJDW-JFLMPSFJSA-N	417.940	5.889	50	40	HKGB	
FC(F)C(F)(F)CO[C@H]1C[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	215670447	GXGLHNCRLZGEBB-LGSITQASSA-N	420.621	5.214	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1	408765222	XJCBPSNKFFIYFX-LFVJCYFKSA-N	404.469	5.964	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1	408785482	ZNVIZCUCOFTXFQ-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
O=C(N/N=C\c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)c1ccccc1	409111533	AWJMFEYBRNYAQV-XKZIYDEJSA-N	411.870	5.163	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cccc(C)c3C)c2C)cc1	409188525	ZXFOTDNAIKWXSN-MYYYXRDXSA-N	404.514	5.265	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)C(=O)N1CCCC1	409367849	IAXMXZAMNJZROC-HMMYKYKNSA-N	416.908	5.602	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)c2C)cc1	409392821	SFUNAJWYMIOTRJ-JCMHNJIXSA-N	424.548	6.386	50	40	HKGB	
CCOP(=S)(OCC)Oc1nsc(Nc2ccccc2Cl)c1C#N	2581904	MFBFEJFCZVSRJA-UHFFFAOYSA-N	403.853	5.088	50	40	HKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1c2ccccc2cc2ccccc12	3027205	HNGBGIYVOAHBKI-LGJNPRDNSA-N	423.299	5.829	50	40	HKGB	
Cc1cc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2Cl)C(C#N)=C(N)O3)c(C)s1	6300279	KAFUDZOHMXDHII-CQSZACIVSA-N	417.321	5.280	50	40	HKGB	
CCCCCCCCCC(=O)N/N=C(/C)c1ccc(NC(=O)C2CCCCC2)cc1	8398009	SAXXIRMCPAEVEO-OOAXWGSJSA-N	413.606	6.186	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccc2ccccc2c1	16545782	LNOXQAGIQHXFPL-DHRITJCHSA-N	418.836	5.215	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)Nc1ccc(F)cc1	18173408	MMVCWFMFGIYRNI-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)cc(Br)c1OCC	408581173	HBDZDUVQVORJSH-MHWRWJLKSA-N	402.288	5.319	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(CC)cc3)c2c1	408779728	JCAIJGUOVKTYJJ-HKWRFOASSA-N	414.505	5.745	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)s1)c1ccccc1	409228850	FZAODKDEJLXSLQ-WIZMWCRPSA-N	424.978	6.337	50	40	HKGB	
CCn1c2ccccc2c2cc([C@H]3[C@@H]4CCCC=C4C(C#N)=C(N)C3(C#N)C#N)ccc21	671031	ZHDHJLHWXJRPKK-NLFFAJNJSA-N	417.516	5.408	50	40	HKGB	
CCc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)s1	2109818	MSQIUXQQQXLRPZ-CVKSISIWSA-N	413.546	5.906	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCCC2)ccc1OCc1ccccc1	2768284	GTRYJBQBHKNGQL-RCCKNPSSSA-N	404.510	5.020	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCCOc3ccccc3)cc2)cc1OC	4196543	FTWUAPGNQXBFSU-LTGZKZEYSA-N	401.462	5.226	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)cc2)cc1	33439003	BATKIECDNWQRJX-KGENOOAVSA-N	414.555	6.841	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1	59535648	KBKWVSRZFNCENW-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N/Nc2ccnc3cc(Cl)ccc23)cc1	104208376	FOMASLNRGGCNQQ-AFUMVMLFSA-N	421.759	5.618	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc4ccccc34)cc21	208465393	NZEKGKLYVPNAAM-JFLMPSFJSA-N	417.940	5.889	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)cc1	223531889	FXOFQINHZZVPFY-HJHGFDQJSA-N	417.553	5.743	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Br)cc1	408532533	QHJLQDYMZKYTAG-ZROIWOOFSA-N	419.105	7.080	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=S)N1	409369008	WYCXSZBTFRJLKF-IBGZPJMESA-N	411.958	5.262	50	40	HKGB	
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(C#N)cc3)cc2)cc1	3352920	FHDCSGUXPWARMV-OGLMXYFKSA-N	411.505	5.199	50	40	HKGB	
Cc1cc(Br)ccc1-c1oc(/C=C/C(=O)Cl)cc1Br	57353792	NXTDAGJLMVOVMO-HWKANZROSA-N	404.485	5.559	50	40	HKGB	
Cc1ccc(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1F	100843689	PFIMSERCYZTCQR-RVDMUPIBSA-N	403.438	5.341	50	40	HKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	408580278	NUPXDLXVDCTKBO-OQLLNIDSSA-N	406.707	5.964	50	40	HKGB	
COc1ccccc1C(=O)N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12	408956512	QRNGFDQWOMJANV-WGARJPEWSA-N	417.896	5.116	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CCCCC3)c2C)cc1Cl	409062878	CGJTVYMMOPMYGV-LDADJPATSA-N	411.933	5.112	50	40	HKGB	
Cc1ccc(NC(=O)c2c(NC(=O)CCl)sc3c2CC[C@@H](C(C)(C)C)C3)cc1	409116035	LFFRFBNPUJOTKA-CQSZACIVSA-N	418.990	5.637	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1	409242088	QECOZDBSTNDPNB-MNTXUITRSA-N	418.949	6.276	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1	2790441	LRFPRQKMEUUWFA-WPWMEQJKSA-N	416.521	5.336	50	40	HKGB	
COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)[C@@H](Br)[C@@H]21	8602701	UMARPJVAPXVBEX-XRULBBBTSA-N	407.348	5.007	50	40	HKGB	
COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1	100256286	IGWQNLJWVJDSQG-UHFFFAOYSA-N	413.477	5.198	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	102970577	SFPGMTKIPSDYDE-WGHBEHPSSA-N	404.554	6.210	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1OCc1ccccc1	207820925	QGIRNPDKHAIHKD-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
CC(C)(C)OC(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12	408815318	JBSBBFDTHGGUJJ-BHGWPJFGSA-N	418.324	5.855	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2cccc(F)c2)c1	408898176	VKVSOJARGMGQRR-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)[nH]c2c1	409391609	KBOWWMHPFWJEEE-ZROIWOOFSA-N	400.394	5.112	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1cn(Cc2ccccc2)c2ccccc12	4045422	SZMMNYBLWAWDSS-CVKSISIWSA-N	401.897	5.036	50	40	HKGB	
O=C(CCn1c2ccccc2c2ccccc21)NN=C1c2ccccc2-c2ccccc21	5129940	UIFJMVBFBUJIAJ-UHFFFAOYSA-N	415.496	5.734	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	6410492	CMWWRXYNBQOCND-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccccc1OCc1cccc2ccccc12	9096145	KXNCQRGGNKGHDE-CIAQWWEDSA-N	412.533	5.695	50	40	HKGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1ccccc1Oc1ccccc1	40139604	DSGZQRVLBFPHDS-SAPNQHFASA-N	424.485	5.543	50	40	HKGB	
COc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1Cl	59336183	BMYGUPOFRXFTLX-YHYXMXQVSA-N	416.091	5.854	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	59421131	XLTKMUGKCHELAP-DHRITJCHSA-N	415.320	6.315	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)NC3CCCCC3)cc21	223513489	ANOSIWKRSARPAG-BKUYFWCQSA-N	405.586	5.761	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)Cn1cnc2ccccc21	408691773	PSBCXELXSGLWQT-PGMHBOJBSA-N	415.496	6.376	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	409199524	DWRIVSFGCSPDJX-UYRXBGFRSA-N	401.378	5.146	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	409229135	KFEQSSCACOZHEL-HZHRSRAPSA-N	423.491	5.937	50	40	HKGB	
CN(C)c1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1	409251903	QYBZXABWSFBNPL-SSZFMOIBSA-N	424.426	5.108	50	40	HKGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	939437	WXIJIKBFCVQPKI-OVCLIPMQSA-N	414.317	5.586	50	40	HKGB	
Cc1cc(C(=O)O)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	1082994	BJYXEBLLOMWRBF-RVDMUPIBSA-N	406.825	5.152	50	40	HKGB	
ClCCN(CCCCCCN(CCCl)Cc1ccccc1)Cc1ccccc1	5179390	JNOXQFXJJCEVPV-UHFFFAOYSA-N	421.456	6.029	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)c2ccc(Cl)cc2)cc1I	5874074	ATIXWHYNIUGVPJ-NTEUORMPSA-N	409.654	5.407	50	40	HKGB	
Cc1c(C(=O)N/N=C/c2c3ccccc3c(Cl)c3ccccc23)nc2ccccn12	12569962	GWYVFPHNFGXHIO-VULFUBBASA-N	412.880	5.366	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1	20132992	HZFRUXFCACBJMU-LBPRGKRZSA-N	403.773	5.965	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3Cl)cc2)c1	59117257	CTCXIPLNJPAGMG-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)o1)c1cccc(Cl)c1	59459232	CJUKICMDBOHQTH-SRZZPIQSSA-N	413.911	5.458	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)OC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C	104131317	WRMXUZMRKCNROQ-AZUOSWQVSA-N	416.646	6.787	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1	408785418	XFBCMIFCBPKUSF-UUASQNMZSA-N	407.272	5.143	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(OCc2ccc(Cl)cc2)c1	408804186	CYECIIYXOKURLC-CPNJWEJPSA-N	418.880	5.473	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccccc2Cl)c1C	408962259	XRZUVXAFHWSSDR-QFEZKATASA-N	408.933	5.774	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1	409109204	ZMMSWKXFFVCZCH-LPYMAVHISA-N	411.870	5.163	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc3ccccc23)c1)C(=O)Nc1ccc(O)cc1	1096286	JFSRNJNBBQUMMM-JCMHNJIXSA-N	420.468	5.670	50	40	HKGB	
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2c(C)cc(C)cc2C)sc2c1CCCC2	3252177	BSKNIGKGCDFHBB-SFQUDFHCSA-N	422.550	5.275	50	40	HKGB	
CC(/C=C/C=C/c1ccccc1)=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	5370215	CYJYPIXUTIODNJ-JXJASVAOSA-N	406.529	5.754	50	40	HKGB	
N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1	12620428	YVMPLSRPVJZDSF-HIXSDJFHSA-N	424.503	7.087	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)[nH]c2c1	33396909	GQOXSWBRZQKWKB-YVLHZVERSA-N	404.876	6.136	50	40	HKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3nc4ccccc4[nH]3)c2)cc1C	33728528	MQZWBVUPQGBBMX-MOSHPQCFSA-N	422.488	5.261	50	40	HKGB	
CCCCCCC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)F	103528097	UKQFESRVFBXFLX-SECBINFHSA-N	422.166	6.374	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C/C=C/c1ccccc1	104164719	BUUOKQUXEQOYOS-NDOJGMNVSA-N	412.662	8.063	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1Cc1cc(C)cc(C)c1	408867665	LEFPBODZPSOGFT-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3c(Cl)cccc3Cl)c2C)cc1	408893994	HWOBZBILLPXEOX-LDADJPATSA-N	424.331	6.255	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C	6792696	SEOZOHDPSCHRDJ-PDGQHHTCSA-N	405.885	5.307	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2)c1C	6966970	IKOMUDUQUATGPI-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1	33851496	XJXLJRGPHFUJEF-UNOMPAQXSA-N	401.378	5.146	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCCc1ccccc1	40007456	FOLBFVKDXBGIAU-CJLVFECKSA-N	416.908	5.185	50	40	HKGB	
CCC[C@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103528282	LZDFCOOQYRWHHW-YFKPBYRVSA-N	416.065	5.448	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c1	105058902	IEMHAKWJQRMTSI-MXAYSNPKSA-N	413.304	5.645	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)cc21	208439991	YZBHKYGJXLPDSN-VYYCAZPPSA-N	415.459	5.030	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1C)[C@H](C)CC(C)(C)N2C(C)C	260569672	RKXHVBZKHBRRFT-ZWAQGKOVSA-N	415.581	6.350	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	408529860	KGESAKXBDOELQD-STBIYBPSSA-N	423.516	5.289	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CSCc2ccc3ccccc3c2)cc1	408726917	NUFDEICPWNBQDC-PCLIKHOPSA-N	405.567	5.070	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	409214292	WMZDAXRNICAGKJ-SSDVNMTOSA-N	405.306	5.496	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1	585145705	LDNZQSATYLHQTK-NPPRPJNESA-N	416.550	5.203	50	40	HKGB	
CCc1cc(C)cc(OCCOc2ccc(/C=N/NC(=O)Nc3ccccc3)cc2)c1	4603690	QOFVMWBMNMNXRC-NLRVBDNBSA-N	417.509	5.171	50	40	HKGB	
CCCOc1ccc(-c2cc(C(=O)N/N=C(/C)c3ccc4ccccc4c3)[nH]n2)cc1	4995262	YEMHHNXUKDXGJJ-ONUIUJJFSA-N	412.493	5.173	50	40	HKGB	
Cc1ccc2cccc(N/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)c2n1	13042883	BCWWJURNDFWAIJ-SFQUDFHCSA-N	402.910	6.297	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3cc(Cl)cc(Cl)c3)n2)cc1C	13775583	VWBJPQQMUKMCNY-XNTDXEJSSA-N	400.334	6.710	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	59297165	HESMNEPRFQSRFF-RIYZIHGNSA-N	419.706	5.355	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1OC	105862205	RXEHAEDPGSYBPG-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	107587022	PIANZGMZMLTRRI-PGMHBOJBSA-N	406.526	5.899	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)cc1	107706562	WYTSODIIJOIDOM-YSKWHIJTSA-N	405.523	5.222	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cc(Cl)ccc1Cl	408542350	LARHGJPSBIQYNV-ZDLGFXPLSA-N	411.288	6.163	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1cccc(Cl)c1	408581676	YTTAGTRXHWGTFY-UDWIEESQSA-N	424.327	7.035	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)c1	408794515	SMFYHUBSGFBRRI-OVCLIPMQSA-N	400.265	5.058	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2c(OC(C)C)ccc3ccccc23)cc1	408800309	LUAZNSCBFVLKAE-XDJHFCHBSA-N	400.478	5.571	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1	408982126	GBYJQLDGRYOWTJ-ATVHPVEESA-N	420.852	5.241	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)c3ccccc32)c1	408993798	FXYDNAJBCDRSDW-HAHDFKILSA-N	419.528	6.161	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1	409024481	UCUBIVSFOVUNDJ-MYKKPKGFSA-N	413.260	6.072	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1ccc(C#N)cc1	409368095	NGDKBOPYYFYZLR-DHDCSXOGSA-N	420.222	5.553	50	40	HKGB	
N#C/C(=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccc(F)cc1	409374829	AGMSFAAKQDBVMI-BOPFTXTBSA-N	424.834	5.700	50	40	HKGB	
CCc1cc(SC#N)cc(CC)c1NC(=O)Cc1csc(-c2cccc(C)c2)n1	12787055	BTZGHIUAMYOHHS-UHFFFAOYSA-N	421.591	5.998	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)[nH]c2c1	33704600	AZHMPRIWVKDMQW-UYRXBGFRSA-N	410.433	5.423	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	139915793	VPNWJKYGPZXTHP-FOWTUZBSSA-N	410.395	5.803	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(Cl)cc2)c2ccccc2n1Cc1ccc(F)cc1	408591878	VVEQGMCROGNNGA-MZJWZYIUSA-N	419.887	5.554	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)cc1	408955484	UOIHBOOJMJPCOR-HZHRSRAPSA-N	422.532	5.150	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Br)cc2)cc1)c1cccc(F)c1	409392080	KREAKGPAYWQWTE-UNOMPAQXSA-N	408.270	6.231	50	40	HKGB	
O=C(Nc1ccc(Cl)cc1)[C@@H](Br)Cc1ccc(Br)cc1	1453027	KSQRJAYFYDAPHE-AWEZNQCLSA-N	417.528	5.047	50	40	HKGB	
CCCCCO[C@@H](c1cc2c(cc1Br)OCO2)[C@H](C)Br	1615236	WBVUMHHXJVFTPE-ZUZCIYMTSA-N	408.130	5.209	50	40	HKGB	
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C(C)/C=C/c2ccccc2)cc1	8386432	BTGWRPVSEIVLKU-SDKVNCLTSA-N	405.542	5.805	50	40	HKGB	biogenic
N#C/C(=C/c1cn(CC(=O)Nc2ccccc2)c2ccccc12)c1ccc(C(=O)O)cc1	33629300	KWZATLBTMSBBSK-ZHZULCJRSA-N	421.456	5.042	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3cccc4ccccc34)cc1)C2	59501498	HGVABTDHGSLJES-MUFRIFMGSA-N	419.528	5.741	50	40	HKGB	
C#CCOc1ccc(Br)cc1/C=C(/C#N)c1ccc(Cl)c(Cl)c1	408587117	QINZWISFIIUNNG-ZSOIEALJSA-N	407.094	5.832	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)o1	408735105	NXZXCLYIVLLOGM-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1	408806540	BDSVNEMDPZAXMK-OVCLIPMQSA-N	406.265	5.051	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1	408882586	RKMZAANBJODVJZ-HMMYKYKNSA-N	402.881	5.485	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl	409054986	WZDWIIGPJLHXDH-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)c(C)c1	409119222	RQWJFKPNEVAHNB-CPNJWEJPSA-N	414.461	5.204	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	409200477	HMIVISQRTZPGAI-UNOMPAQXSA-N	401.378	5.146	50	40	HKGB	
Cc1cc(C)c2cc([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)c(Cl)nc2c1	786861	REGAGINRSYAWET-QFIPXVFZSA-N	411.892	5.876	50	40	HKGB	
Cc1nc2ccccc2cc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	4091519	GTFJJPMRIAKABA-VULFUBBASA-N	416.912	5.368	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1ccccc1Br	4740720	SFGHIGVLCVIUOX-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
CCOc1cc(Br)c(/C=C(\C#N)c2nc3cc(C)ccc3[nH]2)cc1OC	9263447	AGHKNPRBHICJDA-RIYZIHGNSA-N	412.287	5.105	50	40	HKGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1	59473469	KSJHNGRJJQYBLI-ZMOGYAJESA-N	415.345	6.050	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Cl)c(Cl)c1	408587658	SXRFYOVQODHEOX-GHXNOFRVSA-N	409.099	7.624	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc(Cl)c(Cl)c1	408589290	ZYVAMEREQCJFGD-WOJGMQOQSA-N	421.302	7.200	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)cc1	409186430	BXRGJUBROCMJJL-RGEXLXHISA-N	419.912	5.692	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	26123748	MSKRKSKNSZQHSA-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1	59535630	RFGQPNJLBQVUSO-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	408743320	FSZRRZPFNCSCOS-ZHZULCJRSA-N	413.433	5.028	50	40	HKGB	
COc1ccc(Cl)cc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409030553	DUSNHHROBJYPPE-CVKSISIWSA-N	415.880	5.328	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl	409183384	BORIKVBTNINAOG-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)s3)[nH]c2c1	409392792	RYYZCMZNZLZKMJ-RAXLEYEMSA-N	423.950	6.502	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1	1452505	NUORFVQBDRIKIB-XTFSCAMASA-N	424.529	5.385	50	40	HKGB	
Clc1ccccc1[C@H](c1ccc(I)cc1)C(Cl)Cl	1708433	QMDANTHGDUCXOA-ZDUSSCGKSA-N	411.497	5.880	50	40	HKGB	
C=CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OCC	2849289	HMEURBOZWJRQLB-MHWRWJLKSA-N	418.718	6.130	50	40	HKGB	
Cc1cc(C)c(N/C=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)c(C)c1	4794865	OFHNFPACLUPRSX-LDADJPATSA-N	413.502	5.818	50	40	HKGB	
C/C(=N\NC(=O)c1cccc2ccccc12)c1ccc(NC(=O)c2cccs2)cc1	15938818	CAKFEGOCOJMXAR-WGOQTCKBSA-N	413.502	5.308	50	40	HKGB	
CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1	30937340	NAGHWEBIEGOTAJ-AFUMVMLFSA-N	410.901	5.427	50	40	HKGB	
Cc1cccc(NC(=O)CSC2=C(C#N)[C@H](c3ccco3)C3=C(O)CCCC3=N2)c1	102928292	UCOVZWQEYYWLAI-OAQYLSRUSA-N	419.506	5.229	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c1C	408797813	SSWPEGKSZJYFSO-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
COc1cc(NC(=O)/C(C#N)=C/c2c(OC)ccc3ccccc23)c(OC)cc1Cl	408821076	CBBBLLJYDFLKMP-XNTDXEJSSA-N	422.868	5.065	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl	408972499	UMUGLYNGJKOYIM-YXSASFKJSA-N	418.132	6.279	50	40	HKGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccccc3Cl)=C2C#N)cc1Cl	409318847	YAFWKRVBWQCLEA-AWEZNQCLSA-N	419.333	5.274	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1ccc(Br)cc1F	409394392	ZXGNGDYZKSMGCY-MFOYZWKCSA-N	413.265	6.199	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2sc3cc(C)ccc3c2Cl)c(O)c1	2751598	IHDUDNDKNJLZHG-FSJBWODESA-N	415.946	5.179	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	4739459	NOJUKCKPWVYOHK-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
Cc1cccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)c1	4923403	COJKMFQBLJHLOD-NRFANRHFSA-N	403.551	5.338	50	40	HKGB	
COc1ccc(Cl)cc1N/C=C(/C#N)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	5703319	SZHDWXRNANMEJM-RAXLEYEMSA-N	412.858	5.357	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)Sc1nc2ccccc2s1	33666902	DJHNWDUZAIIHBL-SAPNQHFASA-N	402.544	6.895	50	40	HKGB	
COc1ccc(N[C@@H](c2cccs2)P(=O)(c2ccccc2)c2ccccc2)cc1	95677101	HVEOGMOEKBDHQM-XMMPIXPASA-N	419.486	5.882	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)cc1Cl	108038042	WWDOUCGSZLUCEF-MHWRWJLKSA-N	407.304	6.341	50	40	HKGB	
N#C/C(=C\c1ccccc1F)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	408730066	FDBJBUKFMMHXBL-GZTJUZNOSA-N	422.290	6.595	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccccc1Cc1ccccc1Cl	408877023	SFFWFWNDHCTMQY-XSFVSMFZSA-N	421.327	6.438	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(Cl)cc1Cl	409183124	QDGYJLPYJFFCOA-WYMPLXKRSA-N	401.293	5.698	50	40	HKGB	
COc1ccc(SCC(=O)N/N=C\c2ccc(Sc3ccc(C)cc3)cc2)cc1	409229940	AZKYICMXOYCSRZ-IWIPYMOSSA-N	422.575	5.397	50	40	HKGB	
Cc1ccc(C)n1NC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2Cl)o1	409381527	HPYOWFAJUVFGSA-UVTDQMKNSA-N	400.265	5.349	50	40	HKGB	
CCCCCCOc1ccc(/C=N/NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	1782564	JUWNTTOJWCVYSI-OAKZWBAKSA-N	416.949	5.525	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OC	5984491	ZIFBOJJLOWCGQX-PVLQNKMRSA-N	410.901	5.443	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2c(F)cccc2Cl)c1)c1nc2ccccc2[nH]1	11990328	KNZYYRPVSOKEQI-LFIBNONCSA-N	403.844	5.999	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C/c2cccc(Br)c2)c(C)n1-c1ccccc1F	12558835	OVWCANAJLYTPQG-GZTJUZNOSA-N	423.285	5.786	50	40	HKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(C=NNC(=O)CC#N)c2-c2ccccc2)cc1	15986025	VKRGEHLEUWOLNA-UHFFFAOYSA-N	418.500	5.484	50	40	HKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C\c4cccc(Cl)c4Cl)nc(O)c23)C1	33577307	OFLRFNCSSXLUIE-BKLZJWBFSA-N	416.333	5.893	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)NC1CCCC1	59297297	INXSWVUHCPXFSM-BOPFTXTBSA-N	415.320	5.538	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(Br)cc1	408533577	SZLLKRQAKFEVEV-PTNGSMBKSA-N	418.212	6.792	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cccc(Br)c1	408545206	ZWTDZGXCSLQYJK-ODLFYWEKSA-N	421.294	5.619	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)c1ccc(Cl)cc1Cl	408579704	JRVOBITXPRJNIH-LICLKQGHSA-N	414.719	7.290	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(OC(C)C)c2)c(C)n1C1CCCCC1	408777370	YBMFSFZNOUYJGV-STZFKDTASA-N	405.542	5.943	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1cccc(Cl)c1	408935053	GDPFWHJADCEXMC-ZDLGFXPLSA-N	423.299	6.118	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1cccc(F)c1)c1cccc(C(F)(F)F)c1	408965660	WYAOTFIJZZJMQZ-UVHMKAGCSA-N	416.374	5.187	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(C)cc3)c3ccccc23)c1	2726826	DPNOOQNHFZRPGX-KGENOOAVSA-N	421.500	5.552	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1sc2c(c1C(=O)O)CCCC2	6418871	FGSCAGUTTYCTCC-PDGQHHTCSA-N	420.509	5.936	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)C	33380205	QAZAVMFGQIJNQO-DHDCSXOGSA-N	404.388	5.047	50	40	HKGB	
COC(=O)c1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)c(C)c1	33590987	XKMTVKBALBLPRY-BKUYFWCQSA-N	424.504	5.438	50	40	HKGB	
N#C/C(=C/c1ccc(I)cc1)c1ccc(Br)cc1	408534748	WQRHDWIXEXWOIR-LCYFTJDESA-N	410.052	5.118	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OCc1ccc(C)cc1	408888779	ANAKQANNBPUSDU-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	409039326	CONGNSYZONJULW-VGOFMYFVSA-N	423.727	6.227	50	40	HKGB	
COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409045087	FLTYIZCBFQAMFO-VZUCSPMQSA-N	415.198	5.566	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cc([N+](=O)[O-])ccc1F	867526	WELGXDULCOOBKT-UKTHLTGXSA-N	411.776	5.193	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C)cc3Br)n2)cc1	1244724	RYQMWPJHRJBGNN-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
Cc1cccc(N2C(N)=C(C#N)[C@H](c3sccc3C)C3=C2CC(C)(C)CC3=O)c1	1436444	UTUYQGPWQHHZCF-FQEVSTJZSA-N	403.551	5.306	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	4211356	SUFFVDRLLFVUHQ-NTEUORMPSA-N	417.690	5.213	50	40	HKGB	
COc1ccccc1N=[P@@](C)(c1ccccc1)c1c(C)nn(-c2ccccc2)c1C	102132625	CWXAJPPOSIAAFE-PMERELPUSA-N	415.477	5.611	50	40	HKGB	
COc1cc(/C=C/C(=O)Cl)cc(Cl)c1OCc1cccc(Br)c1	226336960	BMZAIKJPFLJGRF-AATRIKPKSA-N	416.098	5.469	50	40	HKGB	
COc1c(Br)cc(Br)cc1/C=C(\C#N)c1ccc(C)cc1	408579620	ISHLGDRYOMGJDW-VGOFMYFVSA-N	407.105	5.593	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2ccc(Cl)c(Cl)c2)o1	408589038	YAQKGHKWVPUILX-GZTJUZNOSA-N	420.299	6.812	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)cc1OC	408819098	YDYIPIATOHRILS-LFIBNONCSA-N	414.889	5.082	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(F)c1	408963371	NQNNXTVSNDULNG-RPPGKUMJSA-N	403.379	5.016	50	40	HKGB	
COc1cccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408964236	CJJRYKLTUGJDDS-PKAZHMFMSA-N	417.553	5.093	50	40	HKGB	
N#CC1=C(N)Oc2[nH]nc(-c3cccc4ccccc34)c2[C@H]1c1c(F)cccc1Cl	985623	JHQGFEATSUNSJL-GOSISDBHSA-N	416.843	5.241	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	3095567	QTNBRHJRKQIGEZ-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1ccc(OCCOc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c2)cc1	4182059	DZORDYZNAJSZBD-RCCKNPSSSA-N	400.434	5.425	50	40	HKGB	
C/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1)N2	4905422	SJSDAHHZYJBBPN-WSPSSMGJSA-N	408.505	5.062	50	40	HKGB	
CCCCOc1cccc(N/C=C(\C#N)c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	9339653	RNQWIVVPLJWJET-SAPNQHFASA-N	420.494	5.874	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	16480600	WKUUJEWTEQQSEI-PGMHBOJBSA-N	422.459	6.104	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)c(C)c1	20194628	PPPAPPYPAKPIHH-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)ccc1OC(C)C	33339759	YEJLOXJPWHMONU-ZSOIEALJSA-N	405.281	5.335	50	40	HKGB	
CCCCCCCCC(CCCCCCCC)=NNC(=O)c1cccc([N+](=O)[O-])c1	98045584	SMDORXBRZLIKHD-UHFFFAOYSA-N	417.594	7.182	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1	211253438	WAQRSQJLJUCQNU-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3Cl)nn2-c2ccccc2)cc1	408725360	OEGNHOISJBHAQN-WGOQTCKBSA-N	414.896	5.265	50	40	HKGB	
CCOP(=S)(OCC)Sc1nnc(C2CC2)n1-c1ccc(Cl)cc1	2556147	CCSJYYAEQOUKPV-UHFFFAOYSA-N	403.897	5.188	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(COc2cccc3cccnc23)cc1)c1ccc(C)c(C)c1	35327288	BEAXOHPFYAFNNY-BRPDVVIDSA-N	423.516	5.585	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1Br	59335824	SKSNHXBNWNOBAT-ATVHPVEESA-N	412.331	5.149	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1cccc(C)c1	59535024	POFQCSAYCSMDHE-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccc(Cl)cc1Cl	408579239	FDCWGBSTFXQZIQ-GZTJUZNOSA-N	414.719	7.290	50	40	HKGB	
Cc1ccc(-n2nc(C(=O)N/N=C/c3ccco3)cc2-c2ccc3ccccc3c2)cc1	408726738	TXEYDVCPNGAWFM-WPWMEQJKSA-N	420.472	5.358	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)cc2)c1	408866861	IXHGRBVHUSXLAD-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	408887307	NMLNRHBYVDLUCK-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3cc(Cl)c(OCC)c(Cl)c3)cc2c1	409186618	FQDNOBFUEUJZAM-KSEXSDGBSA-N	421.280	5.301	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl	409363621	MPGFELVHLDUDFZ-GRSHGNNSSA-N	419.864	5.720	50	40	HKGB	
N#C/C(=C\Nc1cccc(F)c1)c1nc(-c2cccc(Br)c2)cs1	2299078	MAVWNZZLUACCMV-JLHYYAGUSA-N	400.276	5.688	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl	6224636	ISXBSZXOQXXAIE-CAUYNWHBSA-N	410.901	5.443	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/c2cccc(OC)c2)cc1	100045025	SGOHZRITRYTXGX-LHLOQNFPSA-N	410.558	5.979	50	40	HKGB	
CCCCCCCCCCCCCCCCN(/N=C\c1ccc([N+](=O)[O-])o1)C(N)=O	104375185	LDCALDXEPCBOTC-CLCOLTQESA-N	422.570	6.384	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccccc3Cl)c2C)cc1Cl	408589910	NLANCHGXEZXZHY-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
C=CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	409043354	QFSMNKCJZCJAHM-CXUHLZMHSA-N	401.293	5.721	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	409365910	SIIZVGDFCFDDRP-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3cccc(F)c3)cc2Cl)cc1	409389498	BOVBBSXDJQEWNS-ODLFYWEKSA-N	420.871	5.869	50	40	HKGB	
Cc1ccc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)cc1Br	409390552	FEWCXOJSIRQSTN-IWIPYMOSSA-N	407.311	5.040	50	40	HKGB	
O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](Cl)c1ccccc1Cl	2581850	MZIMQOGLWFBAPN-CYBMUJFWSA-N	416.148	6.296	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9445075	QVCFDIZEWAXUER-DHZHZOJOSA-N	424.715	6.886	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc(-c2ccccc2)cs1	9494947	XDWSBLPIBVIERB-XNTDXEJSSA-N	423.324	7.441	50	40	HKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223546866	ZAVSZEXCKRMAMK-XTFCHBONSA-N	413.565	6.104	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1	408581087	UICHRTVFDTXZBY-YBFXNURJSA-N	424.327	6.954	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1OC	408581348	WHPGZJSUPFFXMH-UDWIEESQSA-N	405.881	6.000	50	40	HKGB	
CCOc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)ccc1OCC(C)C	1462335	SXPCOGCIWALXBR-DEOSSOPVSA-N	414.505	5.491	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(Cl)cc4)CSC3=C2C#N)cc1	4922920	MJPFQJSJYXUGEG-LJQANCHMSA-N	409.942	5.122	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(C)cc2s1	20132872	WZGKQHDOIHCKGG-VIFPVBQESA-N	420.170	5.259	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CSCc3ccccc3C)c2C)cc1	58926574	TZFVUVNCFSDNEN-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)cc1C	59432622	ACCXCYWIRUGPKN-SFQUDFHCSA-N	421.294	5.872	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1)C(N)=O	98086287	UTFPZYACASHUOQ-QDEBKDIKSA-N	416.091	5.271	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1	408549223	RCLXXBDZDDCEJJ-RHANQZHGSA-N	411.504	7.636	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1	408788485	KIJFEJSDJUORLV-GXDHUFHOSA-N	406.825	5.152	50	40	HKGB	
COc1ccc(C)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C	408814949	ZWYZZNUVLKDFDZ-HYARGMPZSA-N	413.521	5.574	50	40	HKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2ccc(Sc3ccccc3)o2)c1	408995660	MUGHWZHCAYOZCF-PCLIKHOPSA-N	415.518	5.602	50	40	HKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	409187502	RGRKHURJOKXDTG-UUYOSTAYSA-N	405.483	5.080	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1)c1ccc(Cl)cc1	1805796	JZBKNXWWIJOJNR-UKTHLTGXSA-N	408.206	7.336	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1n[nH]c2c1CCCCCCCCCC2	4678043	KCVHWIJKTKLFQR-ZVHZXABRSA-N	421.372	5.700	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3C#N)c3ccccc23)c1	4711287	VAABYZFHWHEYMR-HMAPJEAMSA-N	416.484	5.415	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(SC(F)F)cc2)o1)c1nnc2n1CCCCC2	5576917	QNLPWPNCDDAMSL-NTCAYCPXSA-N	412.465	5.643	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1	20194313	HJDXGIVDOSHTDZ-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Br)ccc1OC(C)C	59254505	DRONSFZAHAYYSR-GZTJUZNOSA-N	413.315	5.344	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=C3/C(C)=C(C#N)c4nc(N)c(C#N)c(C)c43)cc21	208464453	ORLIDBXVXDWVCX-JMIUGGIZSA-N	421.548	5.635	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCC#N)c(Cl)c1	408788218	JEUYALILHGPBIR-AWNIVKPZSA-N	420.683	5.403	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)Nc1ccc(O)cc1	408806174	ASINUIXUOUCCAW-LDADJPATSA-N	404.853	5.170	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(\C#N)C(=O)Nc3c(C)cccc3Cl)c2)cc1	408886407	GWGZJCMGWHGUNN-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
CCOc1ccccc1[C@@H]1CC(=O)NC(SCc2cccc3ccccc23)=C1C#N	859058	ZCUNLAZPPSDRCO-NRFANRHFSA-N	414.530	5.511	50	40	HKGB	
CC(C)(C)c1nn(-c2ccccc2)c2c1[C@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2311960	JLFNSXAGDWVQND-KRWDZBQOSA-N	422.891	5.180	50	40	HKGB	
CC(/C=C/c1ccccc1)=N/NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	4647013	OGWDCFIYUCHMPR-YVHAHPTRSA-N	417.896	5.411	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1	4704006	MGFMXCZJCWVGAA-XHLNEMQHSA-N	420.512	5.940	50	40	HKGB	
COc1ccc2ccccc2c1/C=N/NC(=O)[C@@H](C)Oc1ccc(-c2ccccc2)cc1	12374244	MOPVDAOSJPEYES-AZFHEMCLSA-N	424.500	5.433	50	40	HKGB	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)Nc1c(Cl)cccc1Cl	40139624	MPIPAPGVFIDEAE-MDWZMJQESA-N	417.683	5.378	50	40	HKGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc3ccccc3c2)cs1	96024143	MSBWVALLKAPHCC-XMHGGMMESA-N	411.486	5.726	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1ccccc1F	408745144	KEHLUUQLEYCWII-MOSHPQCFSA-N	416.452	5.267	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)c(C)c1	408877017	SCILMRFAWNTTMV-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2Cc2ccccc2F)cc1	408885149	XXKJGRCEDTUCDX-HYARGMPZSA-N	414.480	5.533	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1	408983922	OKCIIUYBGYZYPP-BOPFTXTBSA-N	420.852	5.241	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(C)cc(C)cc3C)cc2)c1	408986691	SRRMEFJGLHQDCH-BUVRLJJBSA-N	424.544	6.353	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3ccc(C(F)(F)F)cc3)c2C)cc1	409185524	ZXSFYDCEOXJSDB-ZHZULCJRSA-N	410.439	6.576	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)C(=O)N1CCCC1	409374261	ZEMANTNTWBMBCI-XQNSMLJCSA-N	405.501	5.372	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)Nc2ccccc2)ccc1O[C@@H](C)c1ccccc1	4512142	INNNHKDJLBZVIA-WLXKGNRNSA-N	403.482	5.381	50	40	HKGB	
CCCCCCC(/C=C/c1ccc(Cl)c(Cl)c1)=N/NC(=O)C[n+]1ccccc1	5640235	XAJVVISEJATXSF-MJVFSKIXSA-O	419.376	5.437	50	40	HKGB	
N#C/C(=C\Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	9405007	QXLHQRICVWQFMW-UKTHLTGXSA-N	415.305	5.192	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	35155572	DWGWXHUAIVJHTA-ODLFYWEKSA-N	410.300	6.645	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(Cl)cc1	40889208	PQWWRCJMGSJIRR-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	58823215	ZLULKOBQESOSRX-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc(Br)cc2)c(OC(C)C)c1	408527506	FXPAHHOJLJQSJO-WQRHYEAKSA-N	400.316	6.088	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1nc2ccc(F)cc2[nH]1	408565817	AUIDAWCEDWAUMD-XKZIYDEJSA-N	419.459	6.498	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC	408797640	SVLUKDWLFGUKMN-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c3ccccc3)c2C)cc1	409233540	GGCTWLJNNREROB-CCQQXMDGSA-N	413.521	5.277	50	40	HKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1C	409252641	TUOINLNLJJRWJG-PDGQHHTCSA-N	409.917	5.193	50	40	HKGB	
Cc1cccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)s2)c1	4749768	UPYFNDQGIJDRLL-CIAFOILYSA-N	401.535	5.711	50	40	HKGB	
N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1cccc(Cl)c1Cl	5756668	NCJYCVZVSIOFET-VURMDHGXSA-N	402.100	5.363	50	40	HKGB	
N#C/C(=C/c1ccc(N2N=C(/C=C/c3ccccc3)C[C@@H]2c2ccccc2)cc1)C(N)=O	6258963	QKIOVFZTKVTAON-KVSSHYIYSA-N	418.500	5.100	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)cc1	408568836	WZQWLHBFUJBFMM-WJDWOHSUSA-N	401.397	5.203	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc3ccccc3c2)c2ccccc21	408599522	VQPAKGRKGRMUCZ-STBIYBPSSA-N	417.512	5.915	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)cc2)c(C)c1	408798354	HWLYHACAIBPEGN-LWROZRRASA-N	424.544	5.975	50	40	HKGB	
N#C/C(=C\c1c(Cc2ccccc2Cl)ccc2ccccc12)C(=O)Nc1ccccc1	408869327	QZHJSYHLHGJPRM-OQKWZONESA-N	422.915	6.630	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccccc4)c3C)cc2c1	409186307	ADWJXJOWZKIBKF-MFKUBSTISA-N	401.466	5.003	50	40	HKGB	
Cc1cccc(COc2ccc(/C=N/NC(=O)CSc3ccc(Cl)cc3)cc2)c1	409201641	NFWAURGRHHUCSB-AFUMVMLFSA-N	424.953	5.470	50	40	HKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@@H]1c1c2ccccc2cc2ccccc12	1282640	UYJZOORFUQBWDW-QHCPKHFHSA-N	404.494	6.426	50	40	HKGB	
Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C	2278622	BVTOMBCRXXKKBN-GDNBJRDFSA-N	400.334	6.710	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)cc1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	2289247	VUQMZWSDFMBOGI-HMMYKYKNSA-N	413.933	7.107	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2)cc1C	9187251	VLWAGISCIPUCFI-XSFVSMFZSA-N	422.488	5.261	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(NC(=O)C2CCCC2)cc1	17091350	DTAGWYLMXNKIKK-DHRITJCHSA-N	418.324	5.276	50	40	HKGB	
O=C(c1ccccc1)[C@@H](Br)CC[C@H](Br)C(=O)c1ccccc1	95696936	CYMCSOQEVOCQBZ-HOTGVXAUSA-N	424.132	5.059	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Br)c1OC(C)C	107603486	VZCARTAYDVLGGH-PXNMLYILSA-N	416.271	5.007	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(OC)c1OCC	408990897	OVBMPTBJMUAIDO-WQRHYEAKSA-N	410.901	5.330	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1ccccc1Cl	409185276	VLPAKZJAVCMLFW-NHDPSOOVSA-N	406.294	5.893	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(Cl)c1O[C@H](C)CC	409194058	MXQRBXQJGRSEBZ-GHONEHJGSA-N	409.313	5.333	50	40	HKGB	
O=C(COc1cccc(Cl)c1)N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	3026744	QKNIUHAMLMUPSJ-OPEKNORGSA-N	422.790	5.148	50	40	HKGB	
O=C(CCl)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F	4200287	WWSNSDZULGKALE-UHFFFAOYSA-N	408.601	5.438	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1nc(-c2cccs2)cs1	4304304	QXTRJZQFFIQIJC-JLHYYAGUSA-N	405.460	6.104	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)nc1-c1ccccc1	4994492	QWHLPNPPJVILNV-FOWTUZBSSA-N	404.451	5.131	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc(-c3ccc(OC(F)F)cc3)cs2)c(C)n1C1CC1	6551891	HCADRUZYBFKYQC-LICLKQGHSA-N	411.477	6.229	50	40	HKGB	
CCOC(=O)Cn1cc(/C=C(/C#N)Sc2nc3ccccc3s2)c2ccccc21	28515413	QZOIAYFEYMLVAU-WJDWOHSUSA-N	419.531	5.471	50	40	HKGB	
CSCC[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1	32350208	IZNBRUYYUCRAQV-PBHICJAKSA-N	409.646	5.187	50	40	HKGB	biogenic
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)Cc3cccc4ccccc34)c2C)c1	59427025	FABQTMOPRRWRGF-OGLMXYFKSA-N	409.533	5.557	50	40	HKGB	
CCCCCCCCCC[C@H](I)CC(F)(F)C(F)(F)F	103528299	BRMKUHWUGNOVAL-LBPRGKRZSA-N	414.240	6.909	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@H](Cl)CC1=C[C@@H]3N	118924794	WIKSGAWKTUOFRC-KGZHIOMZSA-N	420.125	7.572	50	40	HKGB	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	209659506	ZJQKGKFXSVNLLQ-VBKFSLOCSA-N	413.502	5.206	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2F)o1)C(=O)Nc1ccccc1	252492700	MSWNFRRSOPZLPW-JLHYYAGUSA-N	411.230	5.394	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NCc1ccccc1	408746924	HUSJVJDBALLWMB-UQQQWYQISA-N	418.496	5.642	50	40	HKGB	
CCc1cc(C)cc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)c1	408760221	URPSAAJRYMKJDH-WGARJPEWSA-N	423.944	5.147	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1C	408792946	MPLOXTWWWVRVTL-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(C)cc(=O)oc4c3)n2)cc1	1305093	XNFBZOKUYAJDRK-FOWTUZBSSA-N	415.474	5.210	50	40	HKGB	
CCCCCCCOc1ccccc1/C=N/NC(=O)c1cccc(Br)c1	3092219	RAHJABUZDAPNNI-XQNSMLJCSA-N	417.347	5.562	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)c1nc2ccccc2s1	4423448	VOPGOEXFRDKJSB-AQTBWJFISA-N	402.906	6.593	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1cccc2ccccc12	6496612	ZGPXKFWEPPWAGJ-VBKFSLOCSA-N	400.821	6.726	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3cc4ccc(C)c(C)c4nc3Cl)[nH]c(=O)c2c1	6694400	QBWDMTRMKHAZHK-LICLKQGHSA-N	400.869	5.114	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc2ccccc2c(=O)[nH]1	9360344	QCKUXQBOMLAPAC-SDNWHVSQSA-N	407.351	5.266	50	40	HKGB	
COc1ccc2nc(SSc3nc(C)c4cc(OC)ccc4n3)nc(C)c2c1	59431813	WMDQJNMMDUNPGN-UHFFFAOYSA-N	410.524	5.006	50	40	HKGB	
CCCCCCCOc1ccc(C(=O)N/N=C/c2ccc(OCCCCC)cc2)cc1	98001337	UJBFAPQHIGCJCK-SZXQPVLSSA-N	424.585	6.369	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccccc3Cl)cc21	208462275	VODNCDYJBNNVEO-WYMPLXKRSA-N	402.325	5.389	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)c1	223556533	IGWSWLOZXMCBJB-HRVJUDJTSA-N	417.553	5.741	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)c(C)n1-c1cccc(Cl)c1Cl	408543703	QJCRFGRROJFACI-WQRHYEAKSA-N	411.288	6.163	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl	408580942	SNSFGHXEJGNDCL-GZTJUZNOSA-N	414.719	7.290	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)cc1	408808079	DSVUAJADUIMGGU-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)c(C)c1	408884068	WPMDMXFUORWDLA-CIAFOILYSA-N	418.899	6.232	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)cc1C	1061842	QPLSRXVAYHNKDD-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
N#C/C(C(=O)NCCc1ccccc1)=C1/SC=C(c2ccccc2)N1c1ccccc1	2326618	GVVUCEAQAXGLIM-RWEWTDSWSA-N	423.541	5.332	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)cc1	5745939	MOESVNIQMIRDEN-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
O=C(NNC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)Nc1ccccc1	9283088	ZCKNCZXZUMARJM-UHFFFAOYSA-N	422.897	5.083	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1C	18173234	MZSYLURGUILVTP-PXLXIMEGSA-N	405.501	5.852	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c1C	28216409	QRZHACDWGYQZFZ-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc(C#N)c1	35339613	OSWSPFVJQHNJOJ-PCLIKHOPSA-N	409.492	6.779	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	59432865	LMURXWQZKPXOIY-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	408537854	HPLVLMJOUQFDIH-HEHNFIMWSA-N	406.526	5.980	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OCC	408806947	NQLMUAWIJJLGJS-WOJGMQOQSA-N	412.917	5.690	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408809886	SMCUFGRDQSNNJQ-DDFGLARDSA-N	415.512	5.431	50	40	HKGB	
Cc1ccc([C@@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	4922504	FLUWGPWJENRTQG-SFHVURJKSA-N	409.942	5.176	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c1	408792572	AZOFSQRLOSXWOW-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)cc2)c(C)c1	408798356	HWLYHACAIBPEGN-NJRDNMGOSA-N	424.544	5.975	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1	408940848	VHTHSQSAXXRFGX-MOSHPQCFSA-N	416.452	5.349	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1cccc(C(F)(F)F)c1)c1ccc2ccccc2c1	408943934	ZSGYGNNJERQIGX-JFLMPSFJSA-N	407.395	5.413	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1C	409214864	VBVJVBBOUWWZAL-WQRHYEAKSA-N	407.857	5.729	50	40	HKGB	
CC[C@H](C)n1cc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc21	409223978	GXYSHPAOYHYMQN-CNYBTUBUSA-N	411.427	6.177	50	40	HKGB	
COC(=O)c1cc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)ccc1Cl	409359227	AKGJZNYUJWDEHG-NVNXTCNLSA-N	407.809	5.179	50	40	HKGB	
Cc1ccc(C)c2nc(Cl)c([C@@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc12	1223570	QSLUEOGRTXCRPT-OAQYLSRUSA-N	411.892	5.876	50	40	HKGB	
C[C@H](Br)C(=O)Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-]	4277573	ICIXXVHIHXCABC-VIFPVBQESA-N	415.696	5.121	50	40	HKGB	
N#C/C(=C/c1cccc2ccccc12)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4645088	COBWHQCRLCSRKO-UQQQWYQISA-N	414.533	7.694	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)S(=O)(=O)c3ccccc3)c3ccccc32)c1	6789189	XPKYOVZSKMSCMA-HZHRSRAPSA-N	412.514	5.336	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc(C(C)(C)C)c1O	13344916	PMIQFBAMDRMCID-GZTJUZNOSA-N	420.509	5.231	50	40	HKGB	
CCOC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3)cs2)cc1	100839887	QPTAJRAMKXUOSL-VBKFSLOCSA-N	409.898	5.617	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)Nc1ccccc1F	207815974	AYQCGNKPHOVIQK-XFXZXTDPSA-N	411.776	5.193	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(O)c(Br)c1)c1cccc(Cl)c1	408599366	TVEWJSXUNQQNKX-WCIBSUBMSA-N	413.496	5.635	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@@H]3C)c3ccccc32)c1	408812546	NDEIHADHPGXNPK-WIXKEIEQSA-N	411.549	5.600	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1cccc2ccccc12	408898469	LPPYPXOOLXICLN-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
O=C(N/N=C(/C=C/c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1	1893907	SQJVMBUKCAPVDY-ZPHNDSJPSA-N	416.524	6.052	50	40	HKGB	
CC[C@@H](Nc1ccc(OC)cc1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	4619271	OCMRTMDPBNMKFC-JOWQQVNMSA-N	411.505	5.342	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1	6355077	PSHDDSQCTJCEKI-HMAPJEAMSA-N	403.909	6.690	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccccc1F	33478162	UKEUSXLDQWFILN-PDGQHHTCSA-N	408.270	6.231	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1cccc(Cl)c1	58917157	QBZQHAQCFHCOEP-PTZPRWATSA-N	411.958	5.378	50	40	HKGB	
Fc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(F)c1F	100638262	YGRYPMYSQVKKAN-UHFFFAOYSA-N	407.395	5.598	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)c1	408587701	GRVTXXFKGSDNTP-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccc(O)cc1	408791885	DUAQJXIZQKGUSN-CJLVFECKSA-N	420.468	5.670	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=N/NC(=O)c2cccc3ccccc23)cc1	408898738	MSSKMHCAANXWAX-WPWMEQJKSA-N	408.457	5.131	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	409203891	YWJMMRRGJHEXEC-SSDVNMTOSA-N	405.306	5.496	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)[nH]c2c1	409392210	NZQVFNDDPQFXJM-BKUYFWCQSA-N	410.521	6.167	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1sc2c(c1C#N)CCCC2	409393613	RIHJCPPQYLPJIW-ODLFYWEKSA-N	401.510	6.109	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccccc1Cl)c1ccccc1Cl	1741402	ZMLHDXQRVIRHQJ-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
Cc1ccccc1N1CSC2=C(C#N)[C@H](c3ccc(C(C)C)cc3)CC(=O)N2C1	4923396	QYQAQWHBVSKYML-FQEVSTJZSA-N	403.551	5.338	50	40	HKGB	
CCCCc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4F)CC(=O)N3C2)cc1	4923529	QHWHPYQLJMOHDI-FQEVSTJZSA-N	421.541	5.388	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	9322195	YIYQMYHNMGHFRC-RIYZIHGNSA-N	419.695	5.513	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1C	17053243	YPVFARGBDZSHQN-DEDYPNTBSA-N	417.534	5.969	50	40	HKGB	
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC)NC(C)=C1C(=O)Nc1ccccc1	19913177	PDBWETJYBXBGAH-JOCHJYFZSA-N	419.550	5.173	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	34771610	YAFOZPTUBIGPJQ-WJDWOHSUSA-N	409.331	5.544	50	40	HKGB	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)Nc1ccc(SC(F)F)cc1	40139582	QYFIMHCYTZGVHA-FMIVXFBMSA-N	414.462	5.065	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)cc(Cl)c1OCc1ccccc1	209487263	CHYNAMZRCRCKSG-LPYMAVHISA-N	403.909	6.690	50	40	HKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408864970	AXAKBQJSBTXSCP-LTGZKZEYSA-N	424.450	6.254	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2)cc1)c1cc2cc(Cl)ccc2o1	409021605	PNABELNKHHCECC-QFEZKATASA-N	404.853	5.429	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)cc1	409118650	OWBPLCYTVAAPOI-NTRYICDMSA-N	418.562	5.513	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1	409188406	YYTUHVSFZKIDGS-NHDPSOOVSA-N	406.294	5.893	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccccc1	409232208	OXWXLKUEXHPQFC-SUCHYCSPSA-N	408.910	5.869	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2c(F)cccc2Cl)c1)c1cccc2ccccc12	409313680	CSQQLBKEXUORPG-ZHZULCJRSA-N	413.879	7.275	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2C#N)c2ccccc12)c1ccc2c(c1)OCO2	409360205	DFYDGIOBDOSRBR-NHDPSOOVSA-N	403.441	5.354	50	40	HKGB	
COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4c3ccc3ccccc43)cc2c1	870400	XLVOXOANUZTNIZ-NRFANRHFSA-N	413.864	5.268	50	40	HKGB	
O=C(NN=C1CCCCC1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	1251140	NYJVPCYRWGMZDI-UHFFFAOYSA-N	410.315	5.647	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3nc4ccccc4s3)o2)cc1	2416664	YSSMJCQZJBHFAU-FYWRMAATSA-N	415.474	5.501	50	40	HKGB	
O=C(N/N=C/c1ccc(OC2CCCCCCC2)cc1)NC12CC3CC(CC(C3)C1)C2	4350333	WJOBEYBKFYEWGO-OVVQPSECSA-N	423.601	5.780	50	40	HKGB	
C/C(=N\NC(=O)COc1ccccc1-c1ccccc1)c1cccc(Br)c1	12555504	AFROECPQKMIBSH-LFVJCYFKSA-N	423.310	5.035	50	40	HKGB	
N#C/C(=C\c1cccnc1)c1nc(-c2cccs2)c(NC(=O)c2cccs2)s1	27022345	MRQIZICXYVOBIC-GXDHUFHOSA-N	420.544	5.645	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/C=C/c3ccccc3[N+](=O)[O-])n2)cc1OC	33334543	PDJJDTARXJJVJZ-NQLWTVTNSA-N	419.462	5.356	50	40	HKGB	
O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1	100869143	FBYJLWQFKYMIJZ-UHFFFAOYSA-N	415.880	5.517	50	40	HKGB	
COc1ccc(N[C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)cc1	104168711	UXEZVBCVSICRIX-DEOSSOPVSA-N	403.418	5.413	50	40	HKGB	
CCc1cccc(CC)c1NC(=S)N/C=C(/C#N)C(=O)c1ccc2ccccc2c1	104304399	AAXLQTIFLMPSNI-JWGURIENSA-N	413.546	5.541	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1C	408815577	XEUXKIHQZBZEKG-CIAFOILYSA-N	417.940	6.218	50	40	HKGB	
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1nc2c(Cl)cccc2s1	16322378	XFYXVSHJCDUVHF-MRVPVSSYSA-N	416.717	5.167	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1ccccc1O	59435328	QYBSHFMBCCHCQA-WYMPLXKRSA-N	415.276	5.042	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N/NC(=O)c2ccc(N(CC)CC)cc2)cc1	97980822	RVXSOQDWJBQBHC-SZXQPVLSSA-N	423.601	6.036	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)Cc2cccc3ccccc23)cc1OC	408540259	PIJZPTXVEPFYOZ-DIBXZPPDSA-N	418.537	5.500	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OCC	408580691	QWXCTXRSRXFBNB-MHWRWJLKSA-N	418.718	6.130	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc(Cl)c1	408734952	LYJHOYWCBVAHFK-LICLKQGHSA-N	410.304	5.947	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408803442	OYMQETVZELXZOX-GXDHUFHOSA-N	419.706	5.437	50	40	HKGB	
COC(=O)c1ccc(Cl)c(-c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3F)o2)c1	408819064	ZTPQYZLQGPFTBF-UVTDQMKNSA-N	424.815	5.071	50	40	HKGB	
O=C(N/N=C\c1ccc(N2CCCCC2)o1)c1cc(-c2ccccc2)nc2ccccc12	409030322	CZXNKCBPAVMMHM-IMRQLAEWSA-N	424.504	5.249	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Br)c3)c2C)c1	409263618	IMUJDUBODRWQEI-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc4ccccc4c3)=C2C#N)cc1	409319207	BZGNYJVLDMMWOY-NRFANRHFSA-N	400.503	5.120	50	40	HKGB	
N#C/C(=C/Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2Cl)cs1	2258424	LRDUHXVPCDFAIV-LUAWRHEFSA-N	406.725	6.747	50	40	HKGB	
CCC(C)(C)[C@H]1CCc2[nH]nc(C(=O)N/N=C\c3ccc(Cl)cc3Cl)c2C1	4677696	SOIWYKDTSASMCE-DOQYOOLYSA-N	407.345	5.022	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1)C(=O)NCc1ccco1	9982283	FXYPNFVRYRUYLK-MDWZMJQESA-N	420.774	5.435	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)c(C)c1	39884522	MPNZUGCXJDIJAB-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2ccc(Cl)c(Cl)c2)o1	59435257	FYAFVKVVKFPIGY-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
Cc1cc(C)c([C@H](Br)[C@H](Br)c2c(C)cc(C)cc2C)c(C)c1	104151886	NUGRVSSPKJQBNE-BGYRXZFFSA-N	424.220	7.109	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCC	408796708	OVTXOQCWLNUODH-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(F)c1	408967779	SAOGLSFCUHVQQL-YSURURNPSA-N	402.212	5.028	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	409131206	MKWDUNUIPQAJSU-AFUMVMLFSA-N	414.336	5.484	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1	1791394	BAVIAWINOJIKEY-CPNJWEJPSA-N	417.534	5.761	50	40	HKGB	
CC(C)(C)c1nn(-c2ccccc2)c2c1[C@@H](c1c(F)cccc1Cl)C(C#N)=C(N)O2	2311961	JLFNSXAGDWVQND-QGZVFWFLSA-N	422.891	5.180	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1nc2ccccc2s1	4604745	FHHQPUWDCKYXEO-QGOAFFKASA-N	402.906	6.593	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)c1ccc(COc2ccccc2)cc1	6344498	WVNYLRJCTSJNQU-UHFFFAOYSA-N	406.570	6.656	50	40	HKGB	
O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)NN(c1ccccc1)c1ccccc1	7976230	JWHAEVXEXXNFTL-OUKQBFOZSA-N	420.896	5.384	50	40	HKGB	
Cc1ccc(NC(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	102606023	GLISCOLPFNIHIR-NRFANRHFSA-N	419.506	5.229	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1	408772320	OAJNRJGFSHJVMJ-VBKFSLOCSA-N	414.490	5.470	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(-c2ccccc2)n1-c1ccccc1	408778388	FLAMIYKKBGXIBL-XLNRJJMWSA-N	421.475	6.138	50	40	HKGB	
Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(\C#N)c3ccccc3)cc2Cl)cc1	409066987	NCTHIXDHZGJULB-CPNJWEJPSA-N	409.894	5.480	50	40	HKGB	
Cc1c(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	409154881	PHKXPRZKCPXYSA-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc([N+](=O)[O-])cc1	409213274	SFEKKKHYLNLWPA-IWIPYMOSSA-N	406.441	6.391	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CSc3cccc4cccnc34)cc2)s1	3525972	RPJCRLPCCXVENP-AFUMVMLFSA-N	417.559	5.661	50	40	HKGB	
Cc1sc(/C(C#N)=C/c2ccc(Cl)cc2)nc1-c1ccc(Cl)c(Cl)c1	4996472	CHGQWIVLZQJOND-RIYZIHGNSA-N	405.737	7.143	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	8371531	CBQKTSLTTPBQGP-BKUYFWCQSA-N	400.434	5.555	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	107907478	JOOOWGAOMNOOQJ-QNGOZBTKSA-N	406.526	5.817	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(C)n1-c1ccc(C(C)(C)C)cc1	408548329	GJXSRQNZQOCDBC-ITYLOYPMSA-N	404.557	7.609	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2cccc3ccccc23)o1	408586020	AKUYIGDPJPMTIC-JVWAILMASA-N	420.472	5.358	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccc([N+](=O)[O-])cc1	408727225	ZAVWBFGNIMFGEF-UNOMPAQXSA-N	420.852	5.900	50	40	HKGB	
O=C(N/N=C/c1cccs1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408727754	XJBWTSRJVUEGOO-YZSQISJMSA-N	422.513	5.518	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)c1C	408871801	XKEHISOXBVLABX-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2ccc(OCc3ccc(Br)cc3)cc2)c1	408874877	DRZURTTUQZLHAH-OYKKKHCWSA-N	423.310	5.100	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc2c(ccc3ccccc32)o1	2162554	GSBWTUNAPAPIPY-OGLMXYFKSA-N	420.468	5.929	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1O[C@H](C)c1ccccc1	4512475	CCRXHJIQRGLMKM-QTCOBDOFSA-N	412.489	5.689	50	40	HKGB	
C/C(=N\NC(=O)c1ccncc1)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@]12C	5621229	VQKFSRAIZXMPGG-RYOGCGSFSA-N	419.613	6.012	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cc4ccccc4cc3O)c2C)cc1C	5740478	LHLNLPSIBFPIQZ-JFLMPSFJSA-N	411.505	5.334	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	9201444	QDYGYUHGOBFDPD-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(C(=N)c1ccccc1)=C1/SS/C(=C(/C#N)C(=N)c2ccccc2)S1	33488820	PZHYZFKULDZSQA-DBGAHSSXSA-N	404.545	5.721	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc(F)c1	33718494	JQKFOHXGJDFRGF-ODLFYWEKSA-N	413.452	5.662	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)c1	59432920	OKPYTVOYBBGXJT-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@@H](Cc3ccccc3)[C@@]12C)(C(C)C)C(C)C	195773217	MAEFGDXAOKXWIQ-OTNCWRBYSA-N	413.678	6.220	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1cccc(Cl)c1	408598492	BMIAKDJDVAPYMJ-XDHOZWIPSA-N	403.312	7.061	50	40	HKGB	
N#C/C(=C\c1ccc(Cl)cc1)c1nc2ccccc2n1Cc1ccc(Cl)cc1	408719372	LVEASNJHPZOLST-QGOAFFKASA-N	404.300	6.456	50	40	HKGB	
CO[C@@H](C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccccc1	408719454	FFYGFVYRZXNRRL-SECKTWPTSA-N	424.500	5.257	50	40	HKGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408799139	JTWLMWGWTXSKDC-NTEUORMPSA-N	419.706	5.435	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c(Cc2ccccc2F)c1	408870402	VGMPDWZVWDSHSX-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
CCn1cc(/C=N/NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c2ccccc21	409050807	ZZZPZHNQBSBPRJ-OGLMXYFKSA-N	418.500	5.640	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)N2CCC(C)CC2)cc1	1452600	ADUHNLPQUSXKAW-JWGURIENSA-N	410.521	5.013	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)NC1CCCCC1	2777098	QHHCVTDXDXZLJJ-XMHGGMMESA-N	417.940	5.699	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1O[C@@H](C)c1ccccc1	4512469	CCRXHJIQRGLMKM-OMNSNBSWSA-N	412.489	5.689	50	40	HKGB	
CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=C(/C#N)c1nc2ccccc2[nH]1	4741550	BIVVOOXBFZPULP-WVCJAJDESA-N	412.493	5.028	50	40	HKGB	
Cc1cc(C)c2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(C)cc(C)c4n3)cc2c1	5072291	IDMICBTYSOIPKV-VCHYOVAHSA-N	414.896	5.835	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	5521524	KZHBWHCIEWLMLW-DHRITJCHSA-N	415.320	6.315	50	40	HKGB	
O=[P@@]1(OCCCl)C=C(c2ccccc2)N(c2ccccc2)N=C1c1ccccc1	8934185	GPUUOPLJLDTVMM-GDLZYMKVSA-N	422.852	6.401	50	40	HKGB	
O=C(N/N=C/c1cc(/N=N/c2cccc(Br)c2)ccc1O)c1ccccc1	10059618	DBLBNYNELOQPEY-QTANEOQUSA-N	423.270	5.334	50	40	HKGB	
CCn1c(S[C@@H](C)C(=O)/C(C#N)=C2\Nc3ccccc3S2)nc2ccccc21	24138136	FXCAZLUZUDYUSQ-XXACCHKKSA-N	406.536	5.059	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(O)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	32000202	MQLACWDEVHBEIZ-BASWHVEKSA-N	417.273	5.615	50	40	HKGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	58886746	QYEYIKHKKDWCPZ-NZYROCMPSA-N	417.292	5.217	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1C#N	108189732	SRUWSKTUJAUORZ-GRSHGNNSSA-N	418.855	6.003	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1	408870664	UFCSYRAPECRJFJ-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccccc1O	409209067	FOWZFQNLOOUMQQ-LQKURTRISA-N	419.484	5.312	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1cccc(F)c1)c1ccccc1	409242573	OTRSPWRWGOYXQH-CEZZIEKDSA-N	400.453	5.189	50	40	HKGB	
CCc1ccc(-c2nc(/C(C#N)=C/c3ccc(Br)cc3)sc2C)cc1	4996475	FCBHNGSNZFYBOY-LDADJPATSA-N	409.352	6.508	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1C	5684144	KKOYRPKEABKYOV-JWGURIENSA-N	418.500	5.702	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC	7156581	BYAQOPJKWNMHBD-XNTDXEJSSA-N	402.853	5.212	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	39884454	UOZNGBURPMBEAF-LFIBNONCSA-N	411.288	6.361	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3Cl)c2)cc1	40006614	JBVKDXSTYWZGOB-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	59282200	HVGVMLPNUZYRAL-LTGZKZEYSA-N	421.500	5.634	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	59335173	XDCSSTHXINJEJY-JWGURIENSA-N	405.501	5.852	50	40	HKGB	
O=P(Cl)(C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2	255961459	VMODRLNZYUOOIR-CQQAPZHSSA-N	421.776	7.164	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Br)cc1	408579967	MBSPTWUTFWMOEF-XDHOZWIPSA-N	408.270	6.231	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Br)c3)o2)c1	408745491	SRBPPAKTGUQGSL-VBKFSLOCSA-N	407.267	5.563	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)cc1Cl	408869998	UTKBXFCBVSXNGM-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1cccc(F)c1)C(=O)Nc1cccc(C(F)(F)F)c1	408877043	SOPBAFQYPNHMGZ-CPNJWEJPSA-N	424.397	5.981	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	409044380	CLBIFZXFMNYLTE-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C#N	409209774	IPZBCKNDZASQHN-MTJSOVHGSA-N	411.417	5.118	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cccc(OCc3ccc(Cl)cc3)c2)c1	1439423	WDBXLUKJNUHITC-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
C=C(Cl)[C@@](Cl)(CBr)CC[C@@H](Br)C(C)(C)Cl	1632352	OVLCIYBVQSJPKK-SCZZXKLOSA-N	401.397	5.673	50	40	HKGB	biogenic
Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N/N=C/c5c[nH]c6ccccc56)(C4)C2)C3)cc1	2683858	ZWRALQDDTNOFIJ-AOLPORDDSA-N	411.549	5.465	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N\N=C2c3ccccc3-c3ccccc32)cc1	4821594	YXFQYPVWHAJEMU-PKAZHMFMSA-N	422.359	5.823	50	40	HKGB	
CCc1cccc2c(/C=C(\C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)c[nH]c12	7167091	ABNKLKOADSBWHH-OVCLIPMQSA-N	405.306	5.375	50	40	HKGB	
C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NNc1nc2c(Cl)cccc2s1	16322380	XFYXVSHJCDUVHF-QMMMGPOBSA-N	416.717	5.167	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	96476412	YIYQMYHNMGHFRC-ZSOIEALJSA-N	419.695	5.513	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)cc2[C@H](C)CC1(C)C	208329352	ZZDHVURSWKZZDB-BDBXIWDTSA-N	417.553	5.661	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cccc(F)c2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	209390460	INLGSALSCPRLFG-UVTDQMKNSA-N	400.331	5.650	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408803816	ATJXBBZXJYRROD-HDFXZOLZSA-N	424.544	6.021	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccccc1Cl	408935523	HOJUDHBGKBPKIQ-WQRHYEAKSA-N	423.299	6.118	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@@H](c2ccc(C(C)C)cc2)C2=C(CCCC2=O)N1	2158624	BWRRFKYCLQXHDV-HSZRJFAPSA-N	408.611	6.553	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1cccc([N+](=O)[O-])c1	2281232	JHPDHJYXFCBVKF-CPNJWEJPSA-N	422.444	5.143	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1	4041374	RFWLJLLWBZYNIZ-OQLLNIDSSA-N	414.259	5.026	50	40	HKGB	
O=C(N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1)c1cc2ccccc2[nH]1	9434551	DWFSCEPYAUJLGV-YYADALCUSA-N	408.288	5.657	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1cccc(Br)c1	9668340	FFYIFKIYHUHSFO-SRZZPIQSSA-N	403.663	5.126	50	40	HKGB	
CN1/C(=C\C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)C(C)(C)c2ccccc21	12650753	DZFUKMMTEJSFAZ-VONWDDPXSA-N	411.427	5.405	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	20197558	IKOXHVCAWKLYCZ-WPWMEQJKSA-N	411.505	5.242	50	40	HKGB	
CC[C@@H](I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	103527804	VHMDGYOMKMTBQB-SCSAIBSYSA-N	402.038	5.058	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccccc2OCc2cccc3ccccc23)c(C)c1	216038838	YDQYZFKHVNHOKM-MIXAMLLLSA-N	422.528	5.728	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(=O)O)c2)o1	408543524	RNMJELRUFQRDFY-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
C/C(CC(=O)Nc1c(C)cc(C)cc1C)=N\NC(=O)c1ccc(-c2ccccc2)cc1	4680042	UROIBIBSZIXTSP-VFCFBJKWSA-N	413.521	5.413	50	40	HKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc(Cl)cc2)cs1	4794824	HYUODHAZFDBDFO-JLHYYAGUSA-N	405.832	6.459	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	5692314	PJRFJEVCSYQKKR-PQBXMXABSA-N	409.533	5.497	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c2c1	6223500	GWPNUPRKNXNPOR-ZHZULCJRSA-N	414.505	5.800	50	40	HKGB	
Cc1ccc(C(=O)CSC2=C(C#N)[C@@H](c3ccco3)C3=C(O)CCCC3=N2)cc1	100703299	IMUYOPCQDYJOEN-NRFANRHFSA-N	404.491	5.474	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)c1nc2ccccc2[nH]1	113834927	YWSHFUYCNQJZAV-CJLVFECKSA-N	401.469	6.359	50	40	HKGB	
Cc1ccccc1[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O	169840669	YPMYGFWDPRPTSM-IAGOWNOFSA-N	409.599	5.036	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)cc2[C@H](C)CC1(C)C	208309969	HNSAQKMUSVQHQO-UEXNTNOUSA-N	403.526	5.353	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1	408581032	SURONUFLEDYADY-UDWIEESQSA-N	407.872	6.521	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1cccc2ccccc12	408748649	GAKCEUFJGFTXHH-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2)cc(Cl)c1OCc1ccccc1C	408926002	WLPCRDKZQNUZQT-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2cccc3ccccc23)c(F)c1	408966939	OCVPGDKXNLVYGJ-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC(C)C)c(Cl)c2)cc1	409048223	RSXNFXBJGQIGBI-OVCLIPMQSA-N	419.308	5.582	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1F)c1ccccc1	409232997	CSILEYRWVRXACP-OSVNEOKWSA-N	400.453	5.189	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1	2053131	DMUKRFOCQGZDJI-LGJNPRDNSA-N	424.928	5.869	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC	2670457	MBSMEPCHABQFDN-LFIBNONCSA-N	418.415	5.439	50	40	HKGB	
O=C(COc1ccc(Cl)cc1Cl)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	3140471	SNQWTCKPIQGXCD-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1Cl	4844445	SEDKORJLGKFFHC-RMORIDSASA-N	407.684	5.979	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl	5661209	DWGWXHUAIVJHTA-YBFXNURJSA-N	410.300	6.645	50	40	HKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(C(C)C)cc2)C(C#N)=C(N)O3)cc1	5883877	NFTNBTJZKLCXKP-NRFANRHFSA-N	414.509	5.207	50	40	HKGB	
O=C(O[C@H](C(=O)c1ccccc1)[C@H](Br)c1ccccc1)c1ccccc1	8471160	FAAYUPUOVJOZCR-CTNGQTDRSA-N	409.279	5.231	50	40	HKGB	
CC1=C(C#N)C(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)N1	12416464	HZPGEWZWUSRFQE-UHFFFAOYSA-N	402.125	5.004	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(C)cc2)cc1	20197796	GPMOJDALFSBFFJ-YZSQISJMSA-N	402.494	5.127	50	40	HKGB	
COc1ccc(/C=N/NC(=O)c2cccc3ccccc23)cc1OCc1ccccc1	59445287	KLYHRJFXTRWYDL-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1nc2ccc(F)cc2[nH]1	408566497	GZILTUOSOJUSNO-BOPFTXTBSA-N	414.396	5.253	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1	408794154	IAGNFLOQWUJBFK-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
O=C(N/N=C/c1ccco1)c1ccc(-c2csc(Nc3ccc(Cl)cc3)n2)cc1	408839514	UBXRYUKOAPLUNC-FSJBWODESA-N	422.897	5.564	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Cc2cccc(F)c2)c1	408871928	ZRAMVYALMCSSSY-CPNJWEJPSA-N	404.416	5.110	50	40	HKGB	
COc1cccc(/C=N/NC(=O)c2ccc3ccccc3c2)c1OCc1ccccc1	408899255	OQQIPTQGMHQRMW-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)o1	408994480	GEVIHIPYQFYOKO-YDZHTSKRSA-N	413.930	5.055	50	40	HKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	2281360	HQAAYJWSJFPELO-UKTHLTGXSA-N	415.396	5.534	50	40	HKGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	4779753	XFOZJAVYWICFOO-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2cc3ccccc3oc2=O)cs1	5022468	DXXLOJFEANTPSN-RAXLEYEMSA-N	407.401	5.171	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccccc3OCCOc3ccccc3)[nH]c2cc1C	6203376	QOMAUXCTYNBSCE-LTGZKZEYSA-N	409.489	5.702	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)C1CCCCC1	6312372	OTBHZBWZTJYPKN-ZXVVBBHZSA-N	406.570	6.249	50	40	HKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccccc1F	13942840	XNZRXCNFEGWJAP-XMHGGMMESA-N	406.464	6.078	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1Cl	59117252	WEFATPAHBIZIKZ-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c3ccccc32)c1	59201403	VODXFVLYFKJHBK-JCMHNJIXSA-N	405.501	5.852	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OC(C)C)c1C	59201445	TWDHRFQTPXLIKE-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@@H]2CC[C@]1(C)C2(C)C	100757792	LTVYYZVESNBABP-QTLGCAHFSA-N	404.591	6.000	50	40	HKGB	
CCCCOP(=O)(OCCCC)[C@H](O[Si](C)(C)C)c1ccc(Cl)cc1	195788706	PSSOQXCMCIIPIN-SFHVURJKSA-N	406.963	7.017	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(=O)c3cccc(Cl)c3)cc2)c1	408753807	NYQPQOHDJPLZHG-CPNJWEJPSA-N	416.864	5.413	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c(C)c1	408788138	BHPUBZCGNWFALW-MHWRWJLKSA-N	421.840	5.671	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccc(Cl)cc3)o2)cc1	408792980	CMALSUOERDYZHG-FYWRMAATSA-N	424.909	6.029	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c(OC(C)C)ccc2ccccc12	408805150	IWSUPAJEVLXIEP-QGOAFFKASA-N	404.897	6.135	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OCC)c1OCCC	409070382	FVJDQKLRQFOJFE-RCCKNPSSSA-N	404.510	5.457	50	40	HKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccc(C(C)(C)C)cc3)s2)cc1	954293	MWUXPXNHSYLTRM-DEDYPNTBSA-N	415.562	5.886	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc3ccccc3s2)cc1OC(=O)c1ccccc1	4966327	STYHGKRQIRXMLF-QGOAFFKASA-N	412.470	5.588	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cc(C)ccc1C(C)C	16693142	NFMUFORNZAYQRF-YSMPRRRNSA-N	404.510	5.199	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)Sc1nc2ccccc2s1	33524798	HGCPFSGPIAZSJV-RGEXLXHISA-N	400.528	6.532	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)n2)cc1	36056548	ZEXXDSKYJAXRPD-LZYBPNLTSA-N	407.451	5.059	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1C	59336065	JNMKFIACQWBKNS-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
Cc1cccc2cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c(Cl)nc12	408728669	RBQRUCFUSLPIIQ-HKNSOBRKSA-N	418.349	5.481	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)C(=O)Nc1ccccc1	408802849	IEMDOHMJDZSYSQ-LTGZKZEYSA-N	422.459	6.104	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408883482	RFBHPZPQBNDDOR-GHRIWEEISA-N	424.422	6.193	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	408888635	YESFSAJWQHOOLL-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1Cl	409012043	IONPYZRPZRCMSC-UGMNDJHYSA-N	423.727	6.370	50	40	HKGB	
O=C(CCl)N1CCCC[C@@H]1CCNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	2160967	WIXQJLQYXONCLG-CQSZACIVSA-N	416.793	5.146	50	40	HKGB	
CC(C)(CCl)C(=O)NCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1	2570349	FDUMLBXDIAAJDH-UHFFFAOYSA-N	414.958	5.482	50	40	HKGB	
C[C@@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)c2ccc(C(C)(C)C)cc2)C1	3426843	HVLZPJWVPMKJQE-CYBMUJFWSA-N	403.975	5.579	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1ccc(OCc2ccccc2)cc1	6044038	XPGLXJCVZLJPHE-ULJHMMPZSA-N	422.503	6.876	50	40	HKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(Cl)c2c(c1)OCCCO2	20898837	PUTSJSMQASGNRZ-UHFFFAOYSA-N	422.095	5.218	50	40	HKGB	
Cc1ccc(C)c(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1	102466439	CKJUXQHMFKNBLP-UVTDQMKNSA-N	400.334	6.710	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)cc1Cl	223164748	DUDMFXMHEQEIAJ-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
COc1cc(F)c(Oc2ccccc2)cc1/C=C(/C#N)c1nc2ccc(F)cc2[nH]1	408569235	MMAAPVMFSSQWQM-DHDCSXOGSA-N	403.388	5.706	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c1C	408570522	WIUIBLGFIFMGKF-YVLHZVERSA-N	404.876	6.136	50	40	HKGB	
CC(C)c1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2ccc(F)cc2)C3)cc1	408728369	KNBRDEURLRIBMT-VYYCAZPPSA-N	401.485	5.233	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1C	408799662	HIGMYGPBJVDRCA-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	408894947	JVTSUZJGRIKKKE-CPNJWEJPSA-N	407.429	5.755	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1)c1ccccc1	409041109	IJHYNKANSBCRJY-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(Cl)cc1	14134319	ULUBZKFURUPNBG-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CCn1c(S[C@@H](C)C(=O)/C(C#N)=C2/Nc3ccccc3S2)nc2ccccc21	105840796	FXCAZLUZUDYUSQ-JLAKJRQNSA-N	406.536	5.059	50	40	HKGB	
O=C(Cl)/C=C/c1ccc(OCc2ccc(F)cc2Cl)c(Br)c1	226334338	TVWDLQWXWOLCKO-QHHAFSJGSA-N	404.062	5.599	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)cc1	408582679	OWEHTDJPOQTOHH-RGVLZGJSSA-N	424.327	6.954	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1	408599339	SRGDUICNQHNDJA-NDENLUEZSA-N	424.327	7.035	50	40	HKGB	
CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc2ccccc2c1	408766526	VEMXUILFGRVFQM-WOJGMQOQSA-N	421.294	5.547	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408813452	XSBOGUHZDFDCCP-HAVVHWLPSA-N	418.496	6.273	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3F)c2C)cc1	408816632	UGLYMWBDLQYQCR-RGEXLXHISA-N	403.457	5.178	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1ccccc1OCc1ccc2ccccc2c1	409231993	GPNNZJGHTOTVRD-QRQIAZFYSA-N	412.464	5.251	50	40	HKGB	
O=C(COc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	3170454	WZPYCYYXHANAEL-AFUMVMLFSA-N	404.853	5.282	50	40	HKGB	
CC1(C)[C@@H]([C@H](Br)[C@H](Br)c2ccccc2)CC[C@@]1(C)C(=O)O	4266717	IPAYRHXWIXEEOF-WVZRYYJFSA-N	418.169	5.413	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	4923366	LXAGZBLELANRJT-JOCHJYFZSA-N	417.578	5.592	50	40	HKGB	
COc1ccc([C@@]23C[C@@H](c4ccccc4)Sc4ccccc4N2C(=O)[C@@H]3Cl)cc1	8452016	WYALWLRESQFCSG-WPFOTENUSA-N	421.949	5.782	50	40	HKGB	
CCCCCCCCCC[C@@H](I)CC(F)(F)C(F)(F)F	103528302	BRMKUHWUGNOVAL-GFCCVEGCSA-N	414.240	6.909	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(Sc4nc5ccccc5[nH]4)o3)[nH]c2cc1C	408785478	GHFOBCLHVLIQPU-PTNGSMBKSA-N	411.490	5.864	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OCC	408795122	LAILWMOXSBQGLU-OQLLNIDSSA-N	419.308	5.645	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408976138	PNCJCXIRNSHLPR-SDDMWXCRSA-N	412.533	5.695	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(C)c3)c3ccccc23)c1	1095561	NWKZKTOMQRWZSP-KGENOOAVSA-N	421.500	5.552	50	40	HKGB	
CCCCCCCc1ccc(C(=O)NNC(=O)c2ccc(Br)cc2)cc1	1884054	SUUWGCDWOROUFH-UHFFFAOYSA-N	417.347	5.037	50	40	HKGB	
Cc1c(Cl)cccc1N/C=C(/C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	2281704	XROIAOMVMHOXET-XFXZXTDPSA-N	420.752	7.055	50	40	HKGB	
Cc1ccn2c(/C=C(\C#N)c3cccc(Cl)c3)c(-c3ccc(Cl)cc3)nc2c1	4002369	DAZHWJQXPKEVAG-QGOAFFKASA-N	404.300	6.681	50	40	HKGB	
CCOC(=O)c1c(C)oc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(OC)cc12	9547197	XZEJXOSBEAHQDY-OQLLNIDSSA-N	418.474	5.600	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1OCc1ccccc1Cl	9679512	DVGHFPRXHKXZBU-OQLLNIDSSA-N	420.690	5.152	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccccc1	15008917	CVCIIJKTSUJCFN-WOJGMQOQSA-N	415.880	5.868	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cscn2)cc1)C(=O)c1c[nH]c2cc(F)ccc12	98008684	JCDLDMJCZXTDRT-CHHVJCJISA-N	403.438	5.132	50	40	HKGB	
CCOC(=O)c1ccc(/N=C\c2ccc(N(CCCl)CCCl)cc2C)cc1	100372296	RBRVWJNSOJZSOA-IWIPYMOSSA-N	407.341	5.206	50	40	HKGB	
CC1=C(C#N)c2nc(N)c(C#N)c(C)c2/C1=C\c1cc(C)n(-c2ccc(F)cc2)c1C	103853617	HKLQTGVXFWHTAT-JMIUGGIZSA-N	409.468	5.242	50	40	HKGB	
Cc1c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccccc1F	107648285	GHVURHGLYAADFD-ZHZULCJRSA-N	411.436	6.110	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)c1	260562503	ALEIENIGROUISK-GFIJVFARSA-N	401.554	5.880	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=N\NC(=O)Cc2ccccc2)cc1Cl	408540598	UHUXLJFKMNLDFL-IWIPYMOSSA-N	407.341	5.645	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2c(F)cccc2Cl)cc1)C(=O)Nc1ccccc1	408604250	UOHYWCUOFUJFSY-LGMDPLHJSA-N	406.844	5.604	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(Cl)c1OC(C)C	409230430	DBPWVWYVMYLZLF-YLRSXTQRSA-N	412.917	5.310	50	40	HKGB	
CCCCOC(=O)c1c(NC(=O)/C(C#N)=C/c2cccs2)sc2c1CCCC2	2351567	UVXOIILDIFZKKU-WYMLVPIESA-N	414.552	5.191	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)NC1CCCCCC1	2768541	QSKXIDYNSQZUGN-FXBPSFAMSA-N	410.521	5.285	50	40	HKGB	
N#C/C(=C/c1ccc(F)cc1)c1csc(-c2cc3c(ccc4ccccc43)oc2=O)n1	8426504	RKGDOUDBBCDPBI-BOPFTXTBSA-N	424.456	6.273	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1	10475960	KKJMCIUGHFZOCC-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)NN=C3CCN(C(C)C)CC3)c3ccccc3n2)cc1C	55082640	NBRNYCPYEPYJPC-UHFFFAOYSA-N	414.553	5.109	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c1	260562906	CPRTTXJCTGTVES-LTKMBJGESA-N	407.945	5.916	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C)cc3)c(OC)c2)cc1OC	408579943	LSXRTJVMJUVJAY-LPYMAVHISA-N	415.489	5.664	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)ccc1OCC	408752354	ACEVOPOKQZQEGV-ATVHPVEESA-N	411.299	5.122	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)cc1	408788617	LPPCMIGVXKFWKR-OQLLNIDSSA-N	400.265	5.004	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccccc1Cl	409251255	UHGPYPIELIZXJR-XESZTULISA-N	403.913	5.532	50	40	HKGB	
Cc1ccc(-c2ccc([C@H]3NC(=O)C(C#N)=C(S)N3c3ccccc3)o2)cc1Cl	1454021	YDVSYXWEOMYECH-FQEVSTJZSA-N	421.909	5.208	50	40	HKGB	
Cc1ccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c(C)c1	1801157	NHMWGCDTQAYUQC-HZPDHXFCSA-N	411.137	5.142	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1OCc1ccccc1F	4680254	WFCGLVCIELDMCV-HYARGMPZSA-N	415.464	5.902	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccccc3)c3ccccc23)c1	5586771	CYSCIMTYMDSKAZ-ZHZULCJRSA-N	407.473	5.244	50	40	HKGB	
CC(=N)/C(C#N)=C(/Nc1ccccc1)SCC(=O)c1ccc(Br)cc1	6854864	FIHIPXCJBILJEP-DLXQMEABSA-N	414.328	5.252	50	40	HKGB	
CCCOC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc1	17286295	WZZYCCBNVLCDCX-XSFVSMFZSA-N	417.534	5.970	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2cc(Br)c(C)cc2s1	20132887	QVJBDVAFKXNDET-VIFPVBQESA-N	420.170	5.259	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)ccc3[nH]2)cc(Br)c1OC	33399325	LCLYAPAQYIMRIB-ZSOIEALJSA-N	412.287	5.105	50	40	HKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)c2ccncc2)cc1	100845958	NLRIFCZJYOAKBS-SZXQPVLSSA-N	409.574	6.145	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2[C@H](C)CC1(C)C	208316088	DXJJYRZOULEHBR-UOIFGXKSSA-N	401.554	5.961	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1cccc(C#N)c1	408566661	IHOOPDXCWUORGV-DHDCSXOGSA-N	420.222	5.553	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)cc1	408580493	BYDHLYFQVKFTJV-FYJGNVAPSA-N	415.445	5.045	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1cccc2ccccc12	408592543	ZBUDVMGJNMLDIQ-RDRPBHBLSA-N	417.512	6.164	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Br)c2)c(C)n1-c1ccc(Cl)cc1	408778811	LNURTHTVBJSCIQ-WQRHYEAKSA-N	411.730	6.574	50	40	HKGB	
COc1ccc(N2CSC3=C(C#N)[C@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	4923409	QIODXNDOIGMMPP-NRFANRHFSA-N	419.550	5.038	50	40	HKGB	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cn(-c3ccccc3)nc2-c2ccccc2)cc1	6211875	LWLOXEDLNMJPKK-KQWNVCNZSA-N	418.500	5.071	50	40	HKGB	
CCCC[C@H](CC)COC(=O)CSSCC(=O)OC[C@@H](CC)CCCC	14982200	YREDCFUZMPDCSM-ROUUACIJSA-N	406.654	5.887	50	40	HKGB	
N#CC(C#N)=Cc1cc(Br)cc(Br)c1OCc1ccccc1	23162617	FIPCGYKSHZWYIB-UHFFFAOYSA-N	418.088	5.221	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1cccc(C(F)(F)F)c1	39884751	HXWKRMGFQOLRQW-GXDHUFHOSA-N	400.331	5.650	50	40	HKGB	
Cc1cc2nc3c(nc2cc1C)[C@]1(CBr)CC[C@H]3[C@]1(C)CBr	100920276	OVZPVJQBSKKHDB-OCBCSQNSSA-N	424.180	5.172	50	40	HKGB	
OB(O)c1c2ccccc2c(-c2cccc(-c3cccc4ccccc34)c2)c2ccccc12	201102115	QJCGXUBGFPUBBG-UHFFFAOYSA-N	424.308	6.160	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2Cl)CCCC1	225525784	YDFYAHCTPPDMJU-UHFFFAOYSA-N	422.750	5.564	50	40	HKGB	
COc1cc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)ccc1OCc1ccccc1	408598988	MZHZJNHJFNOOIX-CPNJWEJPSA-N	413.502	5.807	50	40	HKGB	
O=C(N/N=C\c1cccn1-c1ccc(Cl)cc1)Nc1cccc(Br)c1	408843620	AIDLSRUNSYBPBK-MTJSOVHGSA-N	417.694	5.049	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c(C)c1	409069680	WYPFLPLQRTXDMT-RGEXLXHISA-N	418.949	6.654	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc(C2CCCCC2)cc1	409197755	OCNDTFMMYJJZIU-YZSQISJMSA-N	419.594	5.896	50	40	HKGB	
O=C(c1cc(Cl)ccc1O)[C@H](Br)[C@@H](Br)c1ccccc1	1682538	XFSWZAIWCDGXRX-UONOGXRCSA-N	418.512	5.128	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccccc1	2744190	LADQHYIRIHQHSF-CAPFRKAQSA-N	420.472	5.094	50	40	HKGB	
Cc1ccccc1C(O)(C(=O)NN(c1ccccc1)c1ccccc1)c1ccccc1C	3671832	HMFSURNLJPIZAI-UHFFFAOYSA-N	422.528	5.409	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(F)c1)C(=O)Nc1ccc(Cl)cc1	408792817	LMXSSRKAKGRCHU-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1)c1ccccc1	409047279	OAQJSCJDKWAMLP-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(F)cc2[N+](=O)[O-])o1)c1ccc(Cl)cc1Cl	409141297	MYOCSQTWNKCBQX-LSFURLLWSA-N	422.199	5.065	50	40	HKGB	
COc1ccc(OC)c(/C=C(/C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)c1	5570627	IKMFRZJBOASBMX-PDGQHHTCSA-N	404.441	5.040	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	15227460	JWCREBCDFDVDRO-NBFDZPTDSA-N	413.315	5.311	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)Nc3ccccc3)cc2[N+](=O)[O-])cc1	32124683	LKCDVROBXNNONI-HMAPJEAMSA-N	406.467	5.210	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C	59202038	REFFUCSPGRCYIG-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(C2(C(=O)Nc3ccc(OCCBr)cc3)CCCCC2)cc1	225542152	JNIONZCJFKUTMV-UHFFFAOYSA-N	416.359	5.609	50	40	HKGB	
Cc1c(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cccc1[N+](=O)[O-]	252480636	CBRHFGHDLNNIKK-QGOAFFKASA-N	415.449	5.832	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(Oc4nc(Cl)ncc4F)c3)[nH]c2cc1C	408543850	RWFZZLGYPKDIBB-OVCLIPMQSA-N	419.847	5.619	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	408745646	URZILYFBZWUIES-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(Br)c1	408800519	NKRZRUDSCZNZKA-NTEUORMPSA-N	418.722	5.023	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	409038712	ASQWFLLVBJGEBX-CXUHLZMHSA-N	403.309	5.945	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(Cl)c3)c2C)cc1Cl	409063136	HQBIIIXXTAPHKE-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)ccc1OCc1ccccc1F	409318409	VLLZEXNEWZXPOJ-KQWNVCNZSA-N	423.487	7.021	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C	9259724	SMFKGDHHHVVPKV-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
CN(C)c1ccc(/C=C(\C#N)Sc2nc3ccccc3s2)cc1Br	33556691	DRRTZRSTMZVPIQ-UKTHLTGXSA-N	416.369	5.782	50	40	HKGB	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(F)(F)F)o1	59220099	NKUDKRUNNOWDHV-WYMLVPIESA-N	412.367	5.520	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)cc1	59272194	ZCZSLCKVMXMGFA-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
CC(=O)N/N=C\c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1	83260669	GSDHIWMBSSSJLR-PKAZHMFMSA-N	413.908	5.935	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c(C)n1-c1ccccc1Cl	408600477	ZNHCAJOCVXLSBK-CVKSISIWSA-N	407.945	5.809	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OC	408788150	BJTANVJSNGDAJQ-OVCLIPMQSA-N	417.292	5.421	50	40	HKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cc1Cl	409010328	CCXWUSCEAKZAPI-WJDWOHSUSA-N	410.304	5.947	50	40	HKGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1	1454143	LZSHEHZBVUUOOL-KPKJPENVSA-N	404.278	5.179	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)nc3ccccc23)o1	2109917	PTZXBUAGMLJTHI-JVWAILMASA-N	411.505	5.865	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)CNc2cccc3ccccc23)cc1	3080457	IQBFAVCVJAIGFH-OVVQPSECSA-N	402.542	5.028	50	40	HKGB	
COc1ccc(C(=O)NNc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	4907204	OEYZSOQZWFKCGX-UHFFFAOYSA-N	401.491	5.243	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)cc1	4923404	UWRCBIFXRRCISX-OAQYLSRUSA-N	403.551	5.338	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)c1ccc(F)cc1	10059602	JVCWKIPFDLDFLK-AQHIEDMUSA-N	411.647	5.810	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28217588	GRDANLYJWNSEGR-ZMOGYAJESA-N	400.309	5.094	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	90427202	ZFEZDVVLILTMOC-CSKARUKUSA-N	408.260	6.372	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(SCc3ccccc3Cl)N=C3CCCC(O)=C32)cc1	104125529	JOJQRCHRTQQLFW-QFIPXVFZSA-N	420.965	6.851	50	40	HKGB	
CO/C(=C/C=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118925224	OVHOXMZYAGSYNN-QLRRDMBTSA-N	402.575	5.306	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@H]4C)oc12	208212918	MQHMXYUDBBRCQO-JOBSNELWSA-N	419.525	5.236	50	40	HKGB	
CC(C)N1c2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2[C@H](C)CC1(C)C	260573598	ZAVSZEXCKRMAMK-WKTMJKCCSA-N	413.565	6.104	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](B(O)O)CC[C@]4(C)[C@@H]3CC[C@@]12C	263600015	JOCMCCBKCLSCSH-IQJYFGLXSA-N	414.483	6.871	50	40	HKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408719827	MPJUOYFWEUEPPM-PCLIKHOPSA-N	424.953	5.552	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)ccc1Cc1cccc(F)c1	408878353	ABUWCDKOXHDLGK-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	409240383	TWCCYSOFWFNYSJ-FPJJECCMSA-N	417.940	5.840	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2cccs2)c2ccccc2n1Cc1ccccc1Cl	2262555	DJYBLGYLEGVQNC-ZMOGYAJESA-N	407.926	5.477	50	40	HKGB	
COc1ccc(N[C@H](c2cccs2)P(=O)(c2ccccc2)c2ccccc2)cc1	2570428	HVEOGMOEKBDHQM-DEOSSOPVSA-N	419.486	5.882	50	40	HKGB	
C[C@H](SCc1ccccc1)C(=O)N/N=C/c1cc(-c2ccccc2)sc1Cl	30835571	GDRPRIPTWLBFMX-LUILSVGHSA-N	414.983	5.841	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C\c1ccccc1Sc1ccccc1	35212103	SWKOCMWMJXEZBO-ONUIUJJFSA-N	412.514	5.764	50	40	HKGB	
COc1ccc2[nH]cc(C(=O)/C(C#N)=C\c3ccc(OCc4cscn4)cc3)c2c1	58159923	DBPKZFHSDDYKHG-PXNMLYILSA-N	415.474	5.002	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N\NC(=O)c3cc4ccccc4o3)cc21	208259038	AYRSNLJGLBWVLB-VLKICEKPSA-N	409.917	5.572	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1Cl)N(C)C(C)(C)C=C2C	208468572	OBDZZLXAODCXQJ-CFRMEGHHSA-N	412.921	5.136	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1cccc(C#N)c1	408568450	UPIHIYDEDOCBPP-JMIUGGIZSA-N	405.284	6.508	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	408871442	ZNXAJUCFEYVOFN-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1ccc2ccccc2c1	408968331	VNIOUSCKMWUTBK-RWPZCVJISA-N	410.452	5.022	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2ccc(Sc3nc4ccccc4s3)o2)n1	408993545	WBRUPNVHXPCERF-GXDHUFHOSA-N	406.492	5.101	50	40	HKGB	
CCCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	409048854	UGQMWMGTGYVTDK-CXUHLZMHSA-N	403.309	5.945	50	40	HKGB	
COc1cccc(/C=N\NC(=O)Nc2ccccc2)c1OCc1ccc(Cl)cc1	409084350	BIAIQWSJTSAPEV-OYKKKHCWSA-N	409.873	5.083	50	40	HKGB	
CCc1ccccc1NC(=O)N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1	409187422	QEFCAOVKKJNDPL-XKZIYDEJSA-N	405.483	5.025	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3nc4ccc(OC)cc4[nH]3)o2)cc1	409391056	HGFOIJDEGVGVPA-ATVHPVEESA-N	413.433	5.072	50	40	HKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	2341069	UDFDYXTWMYPWEG-VULFUBBASA-N	403.869	5.315	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccccc4Cl)c3)[nH]c2cc1C	8301704	JYVDWPGZWXQCMY-UDWIEESQSA-N	413.908	6.476	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	10315731	PZMDGAZUFWWUJD-CVKSISIWSA-N	423.944	5.147	50	40	HKGB	
CCOC(=O)/C(C#N)=C/C=C(\Sc1ccc(F)cc1Cl)c1ccc(Cl)cc1	16682013	VHSXDCLONOTLHO-JCKQCPRKSA-N	422.308	6.279	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSCc2ccc(Cl)cc2)c(C)n1-c1ccccc1	28216045	MEKVNIBVPYRJLM-ZMOGYAJESA-N	411.958	5.131	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc2[C@H](C)CC1(C)C	208316478	GGJDRPPTGLDICQ-UUMRFZBWSA-N	415.581	6.270	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1	408583603	VURYQZATVWREQJ-XDHOZWIPSA-N	410.300	6.645	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c3ccccc32)cc1	408792184	JDSUSZIIAYLHIA-XSFVSMFZSA-N	407.473	5.249	50	40	HKGB	
C#CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OCC	409069862	AWKPBQPOVMLWLR-XMHGGMMESA-N	420.896	5.025	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1	677977	NBVAWHBZDYVMIT-JOCHJYFZSA-N	404.473	5.066	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	3306836	PJRFJEVCSYQKKR-GVRUPNCLSA-N	409.533	5.497	50	40	HKGB	
CCN(CCCl)CCCNc1c2ccc(Cl)cc2nc2ccc(OC)cc12	3875975	OIFINQAUHKZSBV-UHFFFAOYSA-N	406.357	5.413	50	40	HKGB	in-vitro
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1ccc([N+](=O)[O-])cc1	4512279	KCDWTRSLCQXJDP-KQWNVCNZSA-N	406.441	6.391	50	40	HKGB	
CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(-c2ccc(Br)cc2)o1	27016777	RDJJPZPBTJHAPH-AQTBWJFISA-N	421.294	5.275	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	28217412	NZDPRHKRHNBPJZ-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc(Cl)c(Cl)c2)cs1	90427180	XGPACIHMRRRJSP-FLIBITNWSA-N	408.260	6.372	50	40	HKGB	
CC(C)OC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC(C)C	95730949	GQCNULIZDMOVTF-UHFFFAOYSA-N	421.541	5.547	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2[C@@H](C)CC1(C)C	223535748	YZDNMSFPZDPCJD-JJBLJPBOSA-N	421.972	6.306	50	40	HKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	408533913	TZCOWIDNFSAINU-KBKYJPHKSA-N	421.806	5.181	50	40	HKGB	
CCCCCCCCOc1ccc(/C=N\NC(=O)c2ccc(C)cc2)cc1OCC	408541368	ZGZSBFUHGHHMTJ-XHPQRKPJSA-N	410.558	5.897	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1nc2ccc(F)cc2[nH]1	408565879	CALOUNUTOWDULE-KPKJPENVSA-N	407.788	5.378	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cccc(OCc3cccc(Cl)c3)c2)cc1OC	408580739	DOBGALNWUBZDOT-RGVLZGJSSA-N	405.881	6.000	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1cccc(Br)c1	408599188	PSYHGXRLRGMKRN-ZDLGFXPLSA-N	411.730	6.574	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3ccc(Br)cc3)c2c1	408769430	URLXAKLWOBKTRK-AQTBWJFISA-N	422.322	6.464	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)C(=O)Nc1ccccc1F	408813900	FVANPBDLOULHOV-JWGURIENSA-N	422.459	6.104	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2)cc1	408935154	GYSZZXMAIJJIGP-MOSHPQCFSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C/c1cc(Br)c(Sc2ccccc2)o1)c1cccc(Cl)c1	408996929	KNYHHGHNQUGQCH-UVTDQMKNSA-N	416.727	6.911	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Cl)CC[C@]4(C)[C@@H]3CC[C@@]12C	627260093	LHVAJZMYZDQMQT-IWTNGFRPSA-N	407.126	8.715	50	40	HKGB	
Cc1c([C@H]2[C@H](CCNC(=O)CCl)C2(C)C)c2ccccc2n1Cc1ccccc1	2447754	OVTNPQZDYPTFLH-GBXCKJPGSA-N	408.973	5.483	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(O)cc2)c1C	15012911	HVRRVUYOQIMLJG-PDGQHHTCSA-N	405.885	5.307	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)c(O[C@@H](C)CC)c(OC)c1	19727452	WTCMCGGGKDFQLA-GZQZNAIASA-N	412.917	5.634	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	20197409	PBUJFKKYWFNPGH-ZMOGYAJESA-N	417.292	5.806	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2Cl)o1)C(=O)Nc1cccc(Cl)c1	39884573	SQZWOCACIUPNKS-FMIVXFBMSA-N	417.679	6.452	50	40	HKGB	
CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	118914065	LHVAJZMYZDQMQT-WPAFHKMSSA-N	407.126	8.715	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2[C@@H](C)CC1(C)C	223556764	IJBNBRQQGFWZJR-LSPINASFSA-N	405.517	5.872	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c(C)n1-c1ccc2ccccc2c1	408565902	CFSKXYUFOHWTBK-MTJSOVHGSA-N	406.464	6.327	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccccc1Cl	408590221	OFAREQKOGZGNSC-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)[nH]c2cc1C	408775244	ZUDPHVOSIIENDG-BOPFTXTBSA-N	411.421	5.339	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1)C(=O)Nc1ccccc1	408798083	UQKROKJDVUPRQP-WOJGMQOQSA-N	406.844	5.604	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc(C(C)(C)C)c1O	408806513	FBMFFBZQQQVAEE-XSFVSMFZSA-N	404.554	5.253	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(C(C)(C)C)cc2)c(OCC)c1	957983	FPSWXURWMFPDSQ-XMHGGMMESA-N	421.493	5.072	50	40	HKGB	
CCOc1ccccc1-c1cc(C(=O)N/N=C/c2ccccc2F)c2ccccc2n1	2089856	FUWJYSXLIALZAJ-JVWAILMASA-N	413.452	5.204	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1OCc1ccccc1	3286691	OGYRYGQTFAFARC-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
COc1ccccc1NCC(=O)N/N=C/c1cc(C)c2cc(C(C)C)ccc(C)c1-2	13096685	KQFFSKSVIKKTCU-MZJWZYIUSA-N	403.526	5.102	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3cccc(C(C)=O)c3)ccc21	17087688	PLZNVQMVCUYXGT-DEDYPNTBSA-N	407.473	5.563	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NC1CCCCCC1	18194372	ITODYHVLQJCJIA-HMMYKYKNSA-N	408.929	5.665	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)cc1OC	33598440	HBLWYRSSIZWKJI-ATDKOCKZSA-N	419.308	5.725	50	40	HKGB	
C/C(=N/NC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C	36496910	VQKFSRAIZXMPGG-FMRDEDFZSA-N	419.613	6.012	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	59224478	XOTPWVDGBQWTQF-RCCKNPSSSA-N	400.453	5.513	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2[C@H](C)CC1(C)C	208328833	PUGTVLBDZFAKEX-ZWAQGKOVSA-N	415.581	6.270	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C	223491453	VVILPKCYKOPHGQ-MYYYXRDXSA-N	406.530	5.261	50	40	HKGB	
C=CCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Br)cc1	408798472	ILZADAJNQBZISP-GXDHUFHOSA-N	417.690	5.213	50	40	HKGB	
Cc1cccc(Cn2c(C)c(/C=C(\C#N)C(=O)Nc3ccccc3F)c3ccccc32)c1	408803982	BLPQOQWPMWSRLG-RCCKNPSSSA-N	423.491	5.991	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(OC)c1OCCC	409075078	TXRHLYBIOHZNJN-QGOAFFKASA-N	410.901	5.412	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(=O)Nc1ccc(SC(F)F)cc1	2632710	WCJMURHJHZSEIQ-RGEXLXHISA-N	406.457	6.214	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(C)cc3)cc2[C@@H](C)CC1(C)C	223576776	DXJJYRZOULEHBR-IAFWPLRWSA-N	401.554	5.961	50	40	HKGB	
COC(=O)c1cccc(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)c1C	408568466	JJMRSNLGGHCXHV-UVTDQMKNSA-N	401.397	5.121	50	40	HKGB	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccc(C)cc3)cc2)cc1	408831132	PURGTYPDGFFPHQ-HAVVHWLPSA-N	422.484	5.132	50	40	HKGB	
CC(C)(C)C1CCC(=NNC(=O)CSCc2cccc(Br)c2)CC1	408863757	PUBCZYUIWVSVSQ-UHFFFAOYSA-N	411.409	5.391	50	40	HKGB	
COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	4817206	OUVKNHGWHKKTIO-LTGZKZEYSA-N	409.514	6.462	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	5698326	YTPCFDVXOOVVKD-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1	33625689	JGOKKZWEQUJUQL-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c1	59432977	GZHQHOYXXOJRFL-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc(Cl)cc4)cs3)ccc12	95483565	IIWOEFQWIJNJOF-RVDMUPIBSA-N	419.893	5.855	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2F)CCCC1	225515483	QPKVSTHVMKCPLG-UHFFFAOYSA-N	406.295	5.050	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccc(F)cc2)CCCCC1	225547674	NCHNMBVUWZHYPB-UHFFFAOYSA-N	420.322	5.440	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)c(Cl)c1	408741537	QKDZTRFAAONXAF-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408794994	KVJXTSRSPNNCKO-GZTJUZNOSA-N	422.843	5.309	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc12	408795086	KXVUEVNFXQUWLL-RVDMUPIBSA-N	411.288	6.091	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c2ccccc12	408805563	GRGBLEHFGLBCFP-FOWTUZBSSA-N	406.869	5.446	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OC)c1OCCC	409068551	UGGOKOAHSAWNNA-LDADJPATSA-N	410.901	5.412	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccc(Cl)cc2)cc1	409095814	DHNVWNCGCWMGBV-CYVLTUHYSA-N	418.949	6.599	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1	409211515	NOMFXPPPPQXKHR-RHANQZHGSA-N	417.512	5.915	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	6372985	WOSHPJQPZTVYQY-RGEXLXHISA-N	418.880	5.473	50	40	HKGB	
N#Cc1c(N)c2c(c(-c3ccc(-c4ccccc4)cc3)c1-c1ccccc1)C(=O)OC2=O	8395860	RAGZKKZUHUERMG-UHFFFAOYSA-N	416.436	5.452	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1	12558793	PZUKNDWTBWGIOP-LTGZKZEYSA-N	415.512	5.869	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccccc1	58823180	GEAAUQQODOTRDS-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccc(Cl)cc1	107789894	OVSICAYKQHEBIX-UUYOSTAYSA-N	414.892	6.254	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1C	223167551	UKQQQZKLQNVNMJ-MTJSOVHGSA-N	417.940	6.218	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)c1C	223549418	OSXNTLVZLDCQIZ-UUMRFZBWSA-N	415.581	6.350	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c(C)c1	408798544	VTGNKIKYLURUQP-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1cc(C)c(/C=N/NC(=O)Nc2ccc(Br)cc2)cc1C(C)C	408844817	ISOJFRIOKNSJPT-SRZZPIQSSA-N	404.308	5.045	50	40	HKGB	
C=CCn1c(C)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2OC)c2ccccc21	408856631	CVQNXMLHTQAMAW-FOWTUZBSSA-N	405.885	5.343	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OCc4ccccc4)cc3)cc2c1	409184089	IOHQBLHZYPYQJU-QQXSKIMKSA-N	414.461	5.174	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(OC(C)C)c(Cl)c3)cc2c1	409186750	HKMAMXOOZGIAOI-FMCGGJTJSA-N	400.862	5.036	50	40	HKGB	
N#C/C(=C\Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1ccccc1Cl	2158519	XTBDOWREAPUTGF-MDZDMXLPSA-N	418.724	6.080	50	40	HKGB	
CCCNC(=O)NN(C(=O)Nc1ccc(C)cc1)c1nc(-c2ccc(C)cc2)cs1	3768101	CWUCZMBVSPRKBH-UHFFFAOYSA-N	423.542	5.090	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	4688378	XGRMTNLBEBORGX-LICLKQGHSA-N	411.288	6.163	50	40	HKGB	
CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)[C@@H](Cl)c1ccccc1	5852815	SOJGZAYPCFPSDS-OZXSUGGESA-N	403.953	6.488	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccc(Cl)cc2)o1)c1sc2ccccc2c1Cl	27023388	GIVYZIKPSPHREQ-KSEXSDGBSA-N	415.301	6.232	50	40	HKGB	
CCCCCCCCCCCCC#CC#CCCCCCCCCCBr	100026554	NUDHYRYEPCJLCL-UHFFFAOYSA-N	423.523	8.820	50	40	HKGB	in-vitro
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1ccc(Cl)c(Cl)c1	408585487	FUKHJERNQYCWJO-GHXNOFRVSA-N	419.651	6.879	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C(/C#N)Cn2cnc3ccccc32)c1C	408691751	OUCJWXWOFHSYQC-ODLFYWEKSA-N	411.465	5.268	50	40	HKGB	
CC(C)(C)c1cc(CCC(=O)N/N=C/c2cccc(Cl)c2)cc(C(C)(C)C)c1O	408763192	IBLYJLLHCCPBNL-CVKSISIWSA-N	414.977	5.724	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3)c3ccccc23)cc1	408776242	XKWCZPIHNFDJBY-QJOMJCCJSA-N	418.496	6.273	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H](C)CC)ccc1OCc1ccc(Cl)cc1	408812310	LNQHXKNXAOGTOH-PUMYGXPMSA-N	412.917	5.139	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)cc2)cc1C	408854715	BORILQPJGCIJKT-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1cc(N2CCCC2)ccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl	408961728	UYNSFWFLTNRVNM-WJDWOHSUSA-N	400.309	5.448	50	40	HKGB	
CCSC1=C(C#N)[C@H](c2ccc(OCc3ccccc3)cc2)C2=C(CCCC2=O)N1	2312509	LHGYOCOXULRRSP-QHCPKHFHSA-N	416.546	5.448	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3cccc(Cl)c3)o2)cc1	4778825	NTBBSJKHLAWAGK-FTWDSPQQSA-N	410.901	5.643	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)cs1	4815333	HTJKASPYKRNBHH-FMIVXFBMSA-N	406.725	6.747	50	40	HKGB	
CCCC/C(C)=N\NC(=O)c1cc(-c2ccc(CC)cc2)nc2c(Cl)cccc12	17087817	GPCQSKPKOMUUTA-YUMHPJSZSA-N	407.945	6.414	50	40	HKGB	
CCCCOc1ccc(Br)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	59117643	ANOJUKXYHDYCEF-ATVHPVEESA-N	413.315	5.482	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc2)cc1	408580574	CNJKCWPDFCGWIN-XMHGGMMESA-N	418.880	5.430	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C	408589948	NPVKIDOJSWHZKN-VULFUBBASA-N	407.945	5.366	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2c[nH]c3ccccc23)cc1	408849096	UPEKKQYEEPBMBJ-MIXAMLLLSA-N	418.500	5.698	50	40	HKGB	
O=C1c2ccccc2-c2nsc3c(C(Br)Br)ccc1c23	1671639	TWOFOQVEGGJRHL-UHFFFAOYSA-N	409.102	5.296	50	40	HKGB	
CCCCCCCc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1	1958451	HNHWZOIAAQUNGH-UHFFFAOYSA-N	417.347	5.037	50	40	HKGB	
O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1cc(C2CC2)nc2ccccc12	2316744	TWJVMMOSPCURKR-WPWMEQJKSA-N	407.473	5.668	50	40	HKGB	
N#Cc1cc([N+](=O)[O-])ccc1[C@H](Br)[C@@H](Br)c1ccccc1	4266311	OSZGSUAGFFSIGF-GJZGRUSLSA-N	410.065	5.039	50	40	HKGB	biogenic
Cc1ccc(C(=O)Oc2cccc(/C=C(\C#N)C(=O)NC(C)(C)CC(C)(C)C)c2)cc1	17091494	SYPMSBFLRWLASS-KGENOOAVSA-N	418.537	5.452	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1	33677252	NUORFVQBDRIKIB-CTBJKRMSSA-N	424.529	5.385	50	40	HKGB	
CCCCCCCCCCCCCCCCCC(=O)N/N=C(\C)c1ccc(C)o1	97959459	HPAZSYCRJKHHQP-WNAAXNPUSA-N	404.639	7.690	50	40	HKGB	
Cc1c(/C=C(\C#N)c2cccc(C#N)c2)c2ccccc2n1Cc1ccccc1Cl	108206320	WBOBLPPJPGQOLD-HYARGMPZSA-N	407.904	6.587	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccc(F)cc2[nH]1	408567534	OLMWPTORQMYGFA-BOPFTXTBSA-N	403.844	5.999	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3F)c(Cl)c2)cc1OC	408582987	QLCRUQJWPXRZSR-YBFXNURJSA-N	423.871	6.139	50	40	HKGB	
Cc1ccc2cc(/C=N/NC(=O)[C@H](C)Sc3ccc(Cl)cc3)c(Cl)nc2c1	408727685	GCXKUIMBYUPVBR-HKNSOBRKSA-N	418.349	5.481	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)o1	408792943	CDZMJDZFWPGZFJ-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408795562	VRVHUQSYAHBLSB-ONNFQVAWSA-N	416.091	5.854	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(F)cc1)c1ccccc1	409241602	KGESSBWZLASYHA-OSVNEOKWSA-N	400.453	5.189	50	40	HKGB	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	2801602	QVKPHXVRBXLWGB-RMKNXTFCSA-N	403.162	5.697	50	40	HKGB	
CCCCc1ccc(N/C=C(\C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1	4148671	CHPHJWXEEJAXAB-XDJHFCHBSA-N	419.550	6.146	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccccc3Cl)o2)cc1	4784480	XYIYDFREZSHVDS-FTWDSPQQSA-N	410.901	5.643	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc(C)cc(C)n2)cc1)c1ccc(Cl)cc1	12649405	MLOHEKOPOMJDRP-WGOQTCKBSA-N	424.957	5.193	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)S(=O)(=O)c1ccccc1	17090617	FDFAGFPIWJHXTK-HYARGMPZSA-N	416.477	5.167	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc12)c1ccccc1F	33740216	ONLYWULUHBUJEO-HKWRFOASSA-N	424.431	6.530	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCc1cccc([N+](=O)[O-])c1	33744577	CQIZRAPLAANLKY-WQRHYEAKSA-N	404.397	5.386	50	40	HKGB	
Br[C@@H]1c2ccccc2-c2ccccc2-c2ccccc2[C@H]1Br	68565030	AZZRGDBOTJIXLH-WOJBJXKFSA-N	414.140	6.906	50	40	HKGB	biogenic
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)cc(Cl)c1O[C@H](C)CC	408551977	QIPISEDFGANDGP-MTEVNVADSA-N	405.925	7.133	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1nc2ccc(F)cc2[nH]1	408570186	SPIXTSVHJGHYBV-WQRHYEAKSA-N	413.408	5.043	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C	408747997	WUWSERNDZKYSBI-BKUYFWCQSA-N	403.913	5.279	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	408804502	AMKKXJYLNJHHKI-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3ccncc3)c3ccccc3n2)cc1	2109703	YYFIKTQCANUMPY-OGLMXYFKSA-N	408.505	5.358	50	40	HKGB	
O=C(O[C@@H](Cl)c1ccc(Br)cc1)c1ccc(Br)cc1	2744551	AKKYXHYEMLBKAI-CYBMUJFWSA-N	404.485	5.306	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1cccc([N+](=O)[O-])c1	107641624	POQOEQSYNAIVHO-UNOMPAQXSA-N	424.416	5.570	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c2ccccc12	408799789	LDSCNEVOTFEVSA-XMHGGMMESA-N	418.924	6.526	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408819875	YOBQNFASPCDHQN-YJRQFJJKSA-N	403.309	5.855	50	40	HKGB	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl	408888643	YGASXGFTGPTRHQ-RIYZIHGNSA-N	412.232	5.600	50	40	HKGB	
CC(C)Oc1ccc(/C=N/NC(=O)CSC2c3ccccc3-c3ccccc32)cc1	409185700	OVJOHTNDAVILKB-CVKSISIWSA-N	416.546	5.427	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1	2109449	WPUXMOIBMSJTSL-OQIQZUQJSA-N	408.505	5.574	50	40	HKGB	
CCSC(SCC)=C1CCCC(=C(SCC)SCC)C1=C(C#N)C#N	4293604	LDOLVXRWWGHHOG-UHFFFAOYSA-N	410.699	6.950	50	40	HKGB	biogenic
CCOc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1	4775457	ONNAQLZBNZYZKB-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
Cc1ccc(/C(CBr)=N/N=C(/CBr)c2ccc(C)cc2)cc1	5493181	SCLYMVVXKLVGTI-QGFZOGOGSA-N	422.164	5.287	50	40	HKGB	
O=C(CCCC[C@H]1CCSS1)NC1(c2ccc3c(c2)OCCO3)CCCC1	9909717	JASCZHFGHOJXKG-KRWDZBQOSA-N	407.601	5.057	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	40888240	ZSIWFVVFHZCLDI-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)cc1	59335135	PGQSAWBTFZVJQW-MOSHPQCFSA-N	414.465	5.165	50	40	HKGB	
CC(C)C(/C=C\c1ccccc1)=N/NC(=O)N/N=C(\C=C/c1ccccc1)C(C)C	104299466	JXISIGLCWYMVKD-FVODNAQSSA-N	402.542	5.736	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](Cl)C=C[C@]4(C)[C@H]3CC[C@@]21C	118923762	KIKFBHZFFZVAFR-QCYZZNICSA-N	405.110	8.491	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1Cl	212650154	OKOFTPQJGOHXTR-VBKFSLOCSA-N	400.309	5.529	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	408580271	NTLQCZTYRYSAEX-OQLLNIDSSA-N	402.675	5.187	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	408744307	DWKCUFZNSPGWNB-JYRVWZFOSA-N	407.684	5.757	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC(=O)c3ccc(Cl)cc3)c2)cc1	408883054	QHCGBFDBIFYSEG-CPNJWEJPSA-N	416.864	5.413	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	409124739	BPJFHLFGOGCCRK-WGOQTCKBSA-N	419.594	5.652	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	409140162	FHTFFQGKRAGSKB-AFUMVMLFSA-N	414.336	5.484	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	1510768	KXZNPOHPNPVSJJ-GHRIWEEISA-N	420.852	5.322	50	40	HKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc1	5938868	ZPMAYHXCQWDXCH-CPNJWEJPSA-N	401.535	5.962	50	40	HKGB	
O=C(CBr)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1	6096457	JIQMOQSQAVBFLO-UHFFFAOYSA-N	411.295	5.422	50	40	HKGB	in-vitro
Cc1c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c2ccccc2n1Cc1ccccc1C#N	9265283	RWDWBOPBMXWYRI-HMAPJEAMSA-N	418.456	5.842	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(Cl)c1)c1nc(-c2ccc(Cl)cc2Cl)cs1	9445076	VITTUWCNZZUMQU-CSKARUKUSA-N	424.715	6.886	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	12362705	AWGFBOMWGBKOJZ-ZISAOZHLSA-N	414.549	5.790	50	40	HKGB	
Cc1ccc(C)c2c1C=Cc1c(C)ccc(C)c1[C@@H](Br)[C@H]2Br	68564978	KDAOPCIGNVGXLN-BGYRXZFFSA-N	420.188	6.976	50	40	HKGB	biogenic
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(C)cc2)[C@H]([N+](=O)[O-])[C@H](c2ccccc2)S1	101636708	TWLQYWPBHJODKX-PLMHQUMBSA-N	407.495	5.012	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2C(C)=CC1(C)C	208525247	ZVHSGLHKVFVDTN-MOSHPQCFSA-N	415.537	5.571	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	223171811	SUGXLAKJGQDNMG-ODLFYWEKSA-N	419.912	5.610	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1nc2ccc(F)cc2[nH]1	408568663	VWTYSSUCRXEDNW-KPKJPENVSA-N	408.776	5.588	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1Cl	408787801	GNCKOBSLRPRPQQ-CXUHLZMHSA-N	401.293	5.721	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1cccc(F)c1	408809862	SIDRXQFVDJXHNP-WSMCSGFASA-N	422.500	5.015	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	409364995	RZHSGVARQFGCHH-ZMOGYAJESA-N	401.293	5.509	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1F	1439483	VYMRLABADKJRCN-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
O=C(CNc1cccc(C(F)(F)F)c1)N/N=C/c1c2ccccc2cc2ccccc12	3209793	AXGMTKJUINQAPI-IPPBACCNSA-N	421.422	5.574	50	40	HKGB	
N#C/C(=C\c1cccs1)c1nc2ccccc2n1Cc1ccc(Cl)cc1Cl	4455776	HRQBOOCOFPGDGS-XNTDXEJSSA-N	410.329	6.517	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1	8437790	XOVWORCUHKVHLA-NTFVMDSBSA-N	422.484	6.290	50	40	HKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1cccc2ccccc12	20247418	VLINBJLOKZIOLB-JVWAILMASA-N	408.526	5.793	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)c(Cl)c1)c1cccs1	58871295	VBODVCOYYLCXPQ-SSDVNMTOSA-N	418.305	5.071	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)cc1	59432875	JTGPMMFFRLNJNC-XNTDXEJSSA-N	406.825	5.152	50	40	HKGB	
CCCCCCCC/C=C\CCCCCCCCCCCCCCBr	104141394	JZXGIXMFNSTPME-KTKRTIGZSA-N	415.544	9.759	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(C(F)(F)F)c1	408772557	MYQUMZDGKFDDNO-KAMYIIQDSA-N	411.408	6.390	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Cl)c1O	408798329	WDGFDRHEMXLAPR-VZUCSPMQSA-N	411.672	5.297	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1ccccc1F	408885156	XISWDVOKSCRJQJ-HYARGMPZSA-N	414.480	5.669	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cc([N+](=O)[O-])ccc3C)c2C)cc1	408886115	IDESJNLWCFQNMU-UDWIEESQSA-N	414.465	5.165	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)cc1	408942223	YFRAKMDFCLAXEQ-MOSHPQCFSA-N	413.433	5.028	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2cc(C)cc(C)c2)c1C	408960004	HYCUCIAOSPIOBL-YSMPRRRNSA-N	402.542	5.737	50	40	HKGB	
N#Cc1ccc(-c2ccc(/C=N\NC(=O)COc3ccc(-c4ccccc4)cc3)o2)cc1	409021610	PSGFQXDRUGPLTI-QRQIAZFYSA-N	421.456	5.014	50	40	HKGB	
CS/C(Nc1ccc(Cl)cc1)=C(/C#N)S(=O)(=O)c1ccc(C(C)C)cc1	5294943	VIJVDTITJQKGQH-HNENSFHCSA-N	406.960	5.405	50	40	HKGB	
Cc1cc(-c2ccccc2)nc(SSc2nc(C)cc(-c3ccccc3)n2)n1	5379552	PIIHLOKZOLMBQM-UHFFFAOYSA-N	402.548	6.017	50	40	HKGB	
CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(\C)C=O)C(C)(C)CCC1	5456948	DFMMVLFMMAQXHZ-STXPBRFFSA-N	416.649	8.722	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	27461350	AWGFBOMWGBKOJZ-NSFHQCJXSA-N	414.549	5.790	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Br	33547956	QZHWSGIYAHZMEP-WQRHYEAKSA-N	422.282	5.829	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N/c2ccc(/C=C\c3ccncc3)cc2)cc1	104380123	XJGVHMQZSFVITC-YYCMFLRXSA-N	424.375	6.287	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@H]3CCCC[C@H]3C)c2C)cc1Cl	408803507	PVCLTLJNUGUAJE-KQINMMAOSA-N	409.961	5.658	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cc(C)cc(CC)c1	409015847	BYPQEWVFYBDMDW-PKAZHMFMSA-N	418.537	5.419	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccccc2)cc1)C(=O)Nc1cccc(Cl)c1	948727	GUBLVAZHEBSFAR-QGOAFFKASA-N	402.837	5.105	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccc(N(C)C)cc1	2228252	JXCMSZRVLKFYFL-WPWMEQJKSA-N	410.521	5.077	50	40	HKGB	
O=C(CSC1c2ccccc2-c2ccccc21)N/N=C/c1c(O)ccc2ccccc12	8843174	SSROMEAGLFETOQ-JFLMPSFJSA-N	424.525	5.499	50	40	HKGB	
CCC/C(=N\NC(=O)c1ccccc1Br)c1ccc(Br)cc1	14923403	NBTHCRMUANTPRF-CAPFRKAQSA-N	424.136	5.146	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1nc2cc(C)c(C)cc2[nH]1	35152956	CGSFWTJQZMKBKE-MHWRWJLKSA-N	410.315	5.795	50	40	HKGB	
N#CC1=C(N)C(C#N)(C#N)[C@H](c2ccc(Cl)cc2)[C@@H]2C[C@@H](c3ccccc3)CC=C12	105973161	JMYWIVNKCJWOBR-QTGUNEKASA-N	410.908	5.327	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(F)cc1	408591147	ROPIUGQESJLDSW-JVWAILMASA-N	405.517	5.224	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccccc2C#N)c2ccccc12	408801801	BTMWEXHRNANRON-WJHHTBSOSA-N	422.532	5.163	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(Cc2ccccc2F)c1	408867573	LNAQTQVXXOLDFS-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCCC2)c2ccccc12)C(=O)NCCCc1ccccc1	409242022	PQZNPCQXXAMVGA-NMWGTECJSA-N	409.533	5.096	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccc(OCc3ccc(Cl)cc3)cc2)c1	409364110	NBMJLYDBHDGIGN-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1cccc(C)c1	409391172	HTLQKEIGOXKZGU-NHDPSOOVSA-N	421.899	6.829	50	40	HKGB	
CCn1c2ccccc2c2cc([C@@H]3C(C#N)=C(N)Oc4n[nH]c(C(C)(C)C)c43)ccc21	664110	RUTVOEXLQLJBQT-HXUWFJFHSA-N	411.509	5.053	50	40	HKGB	
O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)C(Br)Br	1391251	JZMFELNWTMHYEK-UHFFFAOYSA-N	412.892	5.552	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1	2176541	PCQDFHDVBPGIKJ-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
O=[P@@](C(Cl)Cl)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1	3231190	LGUBLYBWZGRXFN-LJQANCHMSA-N	423.318	6.813	50	40	HKGB	
Cc1cc2ccccn2c1/C(=N/NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1	3268399	OPAVDAYHOPANHD-YYADALCUSA-N	405.860	5.223	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccc(-c4ccccc4)cc3)n2)cc1	4309331	CYEMUQQMGVUSOZ-NLRVBDNBSA-N	420.581	7.884	50	40	HKGB	
CC[C@@H](C)Oc1c(Br)cc(/C=C(/C#N)c2ccccc2F)cc1OC	6357646	AJFGKPITGHNKSU-MLJKTZRHSA-N	404.279	5.838	50	40	HKGB	
CCn1c2ccccc2c2cc(N/C=C(\C#N)c3nc(-c4ccccc4)cs3)ccc21	9007976	KYAYPWOQXPOOAQ-KNTRCKAVSA-N	420.541	6.914	50	40	HKGB	
CN(C)CCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccc(O)cc2)cc1	32910311	OIUCUUXSMIJSEB-OCEACIFDSA-N	421.968	5.921	50	40	HKGB	in-vitro
Cc1cc(-c2oc(/C=C/C(=O)Cl)cc2Br)c(C)cc1Br	45957936	JVFDTMOAXIZFAC-ONEGZZNKSA-N	418.512	5.867	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3C)o2)cc1	58832752	MTJBKRQUICRWIY-FOWTUZBSSA-N	421.294	5.872	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	408799797	LHPMFEGSIPRVKF-OVBDPADQSA-N	417.940	5.840	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	408874828	DGZNVILJLZZXKJ-XNUPIMCSSA-N	419.956	5.619	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	408876408	OLONHFUTXJSCCS-SFQUDFHCSA-N	424.422	6.191	50	40	HKGB	
N#C/C(=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)C(=O)Nc1ccc(F)cc1	409231375	CORDQLRRRZXZLE-DEDYPNTBSA-N	413.427	5.513	50	40	HKGB	
COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccccc1Cl	2886743	IWWTYXAHSCJTQA-LFIBNONCSA-N	422.893	5.401	50	40	HKGB	
O=C(NNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccccc1Cl	4860235	LUCYGLUYTVJNFK-UHFFFAOYSA-N	409.276	5.361	50	40	HKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccc(Cl)cc1	9693222	XFPPFBATZSPZAY-QGZVFWFLSA-N	416.333	5.213	50	40	HKGB	
CC[C@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@H](c1ccccc1)C2	74941543	HPIWSYWEXSCXFO-BBRMVZONSA-N	403.345	5.004	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccccc2OCc2ccc(Br)cc2)cc1	209491016	BVYGHJSGXHQORT-KGENOOAVSA-N	404.307	6.401	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)c2ccc(Br)cc2)cc1OC	408579335	FVQZNGNZGJSYCU-OQLLNIDSSA-N	402.675	5.187	50	40	HKGB	
C=CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1	408744564	MCDGOAVUPVLNML-JWGURIENSA-N	411.505	5.513	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2F)cc1Cl	408866370	HXIIKIVYYPGBJZ-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)c3cc4cc(Cl)ccc4o3)c2C)c1	409024054	SQMFWEOGPJBKOO-MXAYSNPKSA-N	405.885	5.566	50	40	HKGB	
O=C(N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12)c1ccccc1Br	2632076	GCYAIYJRBGZCKE-ZVHZXABRSA-N	418.294	5.361	50	40	HKGB	
Cc1cc(C)c2nc(Cl)c(/C=C(\C#N)c3nc(O)c4cc(C)ccc4n3)cc2c1	6025362	IWCIKNQDBSYDRT-LICLKQGHSA-N	400.869	5.526	50	40	HKGB	
CCOc1c(Cl)cc(/C=N/NC(=O)c2cc3ccccc3cc2OC)cc1Cl	6207077	SRRCCBZUOVVNHT-WYMPLXKRSA-N	417.292	5.318	50	40	HKGB	
N#C/C(=C/Nc1cc([N+](=O)[O-])ccc1F)c1nc(-c2ccc3ccccc3c2)cs1	9075485	LDMMXHFSIVPHHD-ATVHPVEESA-N	416.437	5.987	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	33643752	PJRFJEVCSYQKKR-SLTFVWKPSA-N	409.533	5.497	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c2C)cc1	59535041	WDUOXRMLHZKXPE-RGEXLXHISA-N	403.457	5.178	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Br)cc2)cs1	90427197	QMYPBLOQSCRTMN-FMIVXFBMSA-N	418.266	5.827	50	40	HKGB	
C/C(=N\NC(=O)c1ccncc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C	118921181	VQKFSRAIZXMPGG-VNHYZTEYSA-N	419.613	6.012	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)cc2[C@H](C)CC1(C)C	260562848	CHQMOSOGIMRHFB-UEXNTNOUSA-N	421.972	6.386	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccc(Cl)cc1Cl	408758917	URQJZOVDGBZFAU-RAXLEYEMSA-N	415.301	6.283	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1ccccc1Cl	408873680	WEWORQQRMBKBPC-FYJGNVAPSA-N	416.908	5.794	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c([N+](=O)[O-])c1	408897868	UKUBPXVRDVSRCD-GXDHUFHOSA-N	423.812	5.062	50	40	HKGB	
N#C/C(=C\c1ccccc1OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccccc1F	408922665	FVLIQLRYQZKVMM-GHRIWEEISA-N	420.827	5.244	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3cc4cc([N+](=O)[O-])ccc4o3)o2)cc1	408964372	GMAXPAJNHUNGBI-WSDLNYQXSA-N	421.434	5.158	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cc(C)cc(CC)c1	409020880	VAYSSVACWKXOQX-QQXSKIMKSA-N	404.510	5.029	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl	409249633	UXLZAPNYUJHTLP-MLJKTZRHSA-N	422.834	6.082	50	40	HKGB	
COC(=O)COc1ccc(Br)cc1/C=C(/C#N)c1cccc2ccccc12	409324920	WKXZZMZXZMSALM-BOPFTXTBSA-N	422.278	5.218	50	40	HKGB	
N#C/C(=C/c1ccc(Br)cc1)c1ccc(I)cc1	409370783	DUKROGFJPDESIA-LCYFTJDESA-N	410.052	5.118	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Br)cc3)o2)c1	663287	KFBIVRGUPPTVRF-FOWTUZBSSA-N	407.267	5.563	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3C)n2)cc1OC	2281077	GOZMYXPSNNGQMY-PTNGSMBKSA-N	411.914	5.766	50	40	HKGB	
O=C(CSCc1ccccc1)N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1	3094644	QGKMUEXPYSAEBL-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1	4705390	HJBNKESGSQMCHM-CPNJWEJPSA-N	419.912	5.610	50	40	HKGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1ccc(COc2ccccc2-c2ccccc2)cc1	5416071	PCPUWHSJCQMOAL-KUDAPRQGSA-N	410.517	6.005	50	40	HKGB	
CCOC(=O)c1cc(-c2ccc(/C=C(/C#N)c3cccc(C#N)c3)o2)ccc1Cl	6595185	UVUFTCUAXPKOOE-WQRHYEAKSA-N	402.837	5.713	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)c1C	8894092	SMFKGDHHHVVPKV-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3cn(Cc4ccccc4C#N)c4ccccc34)[nH]c2c1	9263429	NHPOXYBTVNBNQO-FYJGNVAPSA-N	413.484	5.810	50	40	HKGB	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)c1nc(-c2ccc(Cl)cc2)cs1	39499042	FOIAIPGLHIILOD-AQTBWJFISA-N	407.926	5.364	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCC(=O)Nc1ccccc1	408579873	KXMXFOQPHFBSSS-PXLXIMEGSA-N	412.489	5.475	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408746291	RMNCSKZLINBIMO-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)cc(Cl)c2OC)cc1	408793206	DMEQAKVYZIPHOX-RIYZIHGNSA-N	419.706	5.219	50	40	HKGB	
CCCOc1ccc(/C(Cl)=C(\C=O)c2ccc(OC)c(OC)c2)cc1OCCC	1632225	SOSMMCSSERKRQU-NKFKGCMQSA-N	418.917	5.587	50	40	HKGB	
CC(C)Cc1ccc([C@@H](C)C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1	2133820	ONQMUCBXFXBDBS-WOJBJXKFSA-N	408.586	5.138	50	40	HKGB	biogenic
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)c1C	4047927	KZVDSTGIMGAAAB-MYYYXRDXSA-N	419.528	6.410	50	40	HKGB	
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	9614402	VQUJMTLUODBMBO-VULFUBBASA-N	422.912	5.065	50	40	HKGB	
N#C/C(=C\c1cc(Br)ccc1OCc1ccccc1)c1ccc(Cl)cc1	408578613	ADAZCDFJJAWKTE-XDHOZWIPSA-N	424.725	6.746	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)c(C)n1-c1ccc(Cl)cc1	408585183	CIHSHLISUAIPIY-YVLHZVERSA-N	401.724	7.119	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3C)c2C)cc1	408745029	OVJZXOOABWERTP-ULJHMMPZSA-N	411.549	6.291	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1cccc(C(F)(F)F)c1	408778170	PXUMRFZWWVHRRB-JAIQZWGSSA-N	423.390	6.047	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc1OCC	408794854	KDLWDXROHUIKKA-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
COc1c(Br)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408795105	KEZFUNKNPMKDEV-VGOFMYFVSA-N	419.706	5.274	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc4ccccc4c3)c3ccccc32)c1	408994025	FEXVVCDZUFMYQI-STBIYBPSSA-N	417.512	5.915	50	40	HKGB	
O=C(CI)N1c2ccccc2Sc2ccc3ccccc3c21	1563092	MFJPYVQZGVKPQM-UHFFFAOYSA-N	417.271	5.404	50	40	HKGB	
O=C(N/N=C/c1ccc(Br)o1)c1cc(-c2ccccc2)nc2ccccc12	3204853	VDVDQNKLBIEVMS-YDZHTSKRSA-N	420.266	5.021	50	40	HKGB	
Cc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)CCl)n2)cc1	5243883	CAFJTAAMMWLDMA-UHFFFAOYSA-N	408.914	5.149	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1	9668267	TXVZQPURSYQQHO-XNTDXEJSSA-N	402.277	5.735	50	40	HKGB	
CC(C)[C@@H]1C[C@H](C)CC[C@@H]1OC(=O)[C@@H](Br)C12CC3CC(CC(C3)C1)C2	11027001	XDESLZPXEGCJAM-KLZPWALZSA-N	411.424	5.970	50	40	HKGB	
O=C(N/N=C/c1ccc(OC(F)F)cc1)c1cc(-c2cccs2)nc2ccccc12	12618848	QOZRYFXACLUZHN-DHRITJCHSA-N	423.444	5.329	50	40	HKGB	
O=C(NCc1ccccc1)c1sc(=S)n(-c2ccccc2)c1/N=C(\O)CCl	53944182	BLCKEEBSVNZJPC-UHFFFAOYSA-N	417.943	5.025	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)NN=C3CCN(C)CC3)c3ccccc3n2)cc1	55082651	FLKYLXGFZOTGEN-GOSISDBHSA-N	414.553	5.227	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1	59232937	WRZXOEDJVPGCEH-JJIBRWJFSA-N	418.496	6.273	50	40	HKGB	
BrCc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)c1	72284097	ZIAGAOYXDFEXQY-UHFFFAOYSA-N	406.348	7.039	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OCC)c1	209278603	SKFUGVAUZUTJQY-SXGWCWSVSA-N	420.292	5.441	50	40	HKGB	
CCCCOc1ccc(/C=N\NC(=O)c2cccc(C(F)(F)F)c2)cc1OCC	408528645	FQGZKBMBLDXDKZ-QFEZKATASA-N	408.420	5.047	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)ccc1OCc1ccccc1C#N	408741353	LLQLGDMXJOMQST-MTJSOVHGSA-N	400.865	5.863	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408855149	CPPNNNMIHQACMH-YVLHZVERSA-N	411.288	6.163	50	40	HKGB	
O=C(N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)cc1)c1ccccc1	4512442	OWHJMNDLRXGERY-LFVJCYFKSA-N	410.926	5.275	50	40	HKGB	
C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	4713560	XVBLKXKJUOMOSZ-AUQJFBCFSA-N	422.956	5.688	50	40	HKGB	
N#C/C(=C\c1c(Oc2ccccc2)nc2ccccn2c1=O)c1nc2ccccc2s1	9281486	QZLZISTXFQNUNU-JQIJEIRASA-N	422.469	5.161	50	40	HKGB	
Cc1ccccc1NC(=O)CSC1=C(C#N)[C@H](c2ccco2)C2=C(O)CCCC2=N1	102590482	GQJCWMRDWIKUKF-OAQYLSRUSA-N	419.506	5.229	50	40	HKGB	
Cc1cc(N(C[C@H](C)Cl)C[C@@H](C)Cl)ccc1/N=N\c1ccccc1C(=O)O	104184760	JQPLQOXRRNSXTM-LZZYMIELSA-N	408.329	6.170	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(Cl)c(Cl)c3)cc21	208200054	AEKQPDOKGDWZSG-ZGUVFNMESA-N	404.341	5.479	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C	208316818	ULRIPUMHFNIRPY-UEXNTNOUSA-N	421.972	6.306	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C(/C#N)C(=O)NCc3ccccc3)cc21	223507164	JYIPSWVAWVQDPZ-QRVIBDJDSA-N	413.565	5.629	50	40	HKGB	
Cc1ccc(COc2c(Cl)cc(/C=C/C(=O)Cl)cc2Br)cc1	226340883	QFWWKXHFLULUCI-VOTSOKGWSA-N	400.099	5.769	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c(Cc2ccccc2F)c1	408879326	DZXPLIQQHFABCY-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)cc1Cl	409008624	YWMIIYWUNWQGSU-GZTJUZNOSA-N	416.352	5.757	50	40	HKGB	
Cc1c(/C=C(/C#N)c2cccc(F)c2)c2ccccc2n1Cc1ccccc1Cl	409391752	JQMUXHDJYQCUBA-ZHZULCJRSA-N	400.884	6.855	50	40	HKGB	
CC(C)Oc1ccc2ccccc2c1/C=N/NC(=O)CNc1cccc2ccccc12	409392320	OYFBJJOPBRXYEF-LQKURTRISA-N	411.505	5.342	50	40	HKGB	
CC1=CC2=C(c3ccc(C)cc3)c3ccccc3N(c3ccc(C)cc3)C2=C[C@@H]1Cl	1661389	SHBINYYUGTXBDP-VWLOTQADSA-N	409.960	7.708	50	40	HKGB	
N#C/C(=C\Nc1ccccc1OC(F)F)c1nc(-c2ccc3c(c2)OCO3)cs1	2313013	YNKYMKVQUSKNBO-UKTHLTGXSA-N	413.405	5.117	50	40	HKGB	
C/C(=N/NC(=O)c1ccccc1C)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	4646871	ZRECFFYLXZYFQA-QQXSKIMKSA-N	405.885	5.055	50	40	HKGB	
C/C(=N\NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1Cl	12530663	DHEOMBKOAAXADR-YZSQISJMSA-N	414.896	5.347	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccccc1OC	13940918	FVBFBINQNVQUAR-KNTRCKAVSA-N	400.478	5.573	50	40	HKGB	
Cc1c(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c2ccccc2n1Cc1ccccc1	16185117	FFABTCUEEKEBSA-HKWRFOASSA-N	407.473	5.249	50	40	HKGB	
CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N/NC(=O)C[n+]1ccccc1	17109913	XAJVVISEJATXSF-AEOWEMLBSA-O	419.376	5.437	50	40	HKGB	
C=CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OCC	59336297	VEVZZHPSEODTJK-PTNGSMBKSA-N	417.292	5.503	50	40	HKGB	
Cc1cc(/C=C(\C#N)Sc2nc3ccccc3s2)c(C)n1-c1ccc(F)cc1	107836750	GGSZIJYCGGHSIR-XDHOZWIPSA-N	405.523	6.500	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C	408742767	BZXUJEABXRQBCL-UNOMPAQXSA-N	419.912	5.610	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1OCc1cccc(C)c1	408743420	AAKLERPWPGTQRJ-HMAPJEAMSA-N	412.489	5.437	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@H]3C)c2C)cc1Cl	408803509	PVCLTLJNUGUAJE-SZLJFRIMSA-N	409.961	5.658	50	40	HKGB	
O=C(Cl)c1cc(Br)c(OCc2ccccc2)c(Br)c1	575415056	MNIOEWULWAGWBR-UHFFFAOYSA-N	404.485	5.170	50	40	HKGB	
CCc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(Cl)cc3)C3=C2C(=O)CCC3)cc1	713604	CJEMOHWDMWSKOS-QFIPXVFZSA-N	403.913	5.207	50	40	HKGB	
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(-c3ccccc3)cc1)C(C#N)=C(N)O2	714316	YNOUDJJECFHQAN-XMMPIXPASA-N	404.473	5.066	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	1191563	RUXJCLWRLFBKIV-ACCUITESSA-N	413.260	5.808	50	40	HKGB	
CCCCOc1ccccc1/C=N/NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	3148865	LASDYPAMDHHWMC-KXKJEIKKSA-N	412.533	5.322	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2cccs2)nc2ccccc12)c1cccc([N+](=O)[O-])c1	12561271	ROWYNKJUYGOZAO-ZVHZXABRSA-N	416.462	5.026	50	40	HKGB	
N#C[C@H](c1ccccc1OCc1ccccc1)N(C(=O)CCCCl)C1CCCCC1	26895995	MOYNEAUCUXWSQX-HSZRJFAPSA-N	424.972	6.011	50	40	HKGB	
Cc1ccc2c(Cl)c(C(=O)NN=C3CCN(Cc4ccccc4)CC3)sc2c1	55075664	YHXWPQYCFLXUSO-UHFFFAOYSA-N	411.958	5.245	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)cc1	59335650	ZMEYYNDDLOGQPI-UQQQWYQISA-N	422.528	6.157	50	40	HKGB	
Cc1cc(Cl)ccc1OCCCC(=O)N/N=C1/CCCC[C@H]1C1CCCCC1	103460397	MRNOPJWKZQNAFM-LJZRKVIHSA-N	404.982	6.050	50	40	HKGB	
COc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1	223164913	DIWNAXHYSKRLQQ-PDGQHHTCSA-N	405.885	5.302	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c(C)c1	260569454	QHDNFJOONHFZPD-KLSKMWHSSA-N	421.972	6.225	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc2ccccc12)c1ccc(C(=O)O)cc1	408544161	VIIPJPPYSPRSSU-JLPGSUDCSA-N	405.453	6.181	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1	409231233	IRXZYZZNTYUKTK-ZMOGYAJESA-N	415.345	6.217	50	40	HKGB	
O=C(NNC1=C(C(=O)C(F)(F)F)CCCCCCCCCC1)c1ccccc1F	1084183325	MKLIJKYRKKJHTK-UHFFFAOYSA-N	414.443	5.360	50	40	HKGB	
O=C(N/N=C/c1cccs1)c1[nH]c2ccc(Br)cc2c1-c1ccccc1	2203470	UHLAEZHSPDECTQ-WSDLNYQXSA-N	424.323	5.423	50	40	HKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1ccc2ccccc2c1	3092506	ANQNRDYZBHNRSS-MFKUBSTISA-N	417.306	5.448	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2)nc1-c1ccccc1)C(=O)Nc1ccccc1F	20522985	VCOBZMKOQOXVPI-RCCKNPSSSA-N	422.463	5.283	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)c1nc2ccccc2[nH]1	113834048	KLMHSMYMMRIPGT-CJLVFECKSA-N	401.469	6.359	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc(Br)cc1)[C@H](C)CC(C)(C)N2C	208234532	OCGCGAXXORDXBG-VXIUPONVSA-N	409.371	6.544	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)cc2)cc1	408719327	BSDJCPWTTWTOHO-DUYBAWCLSA-N	404.535	5.205	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1-c1cccc(Cl)c1Cl	408747124	JKIPBOHGLLIQAB-UNOMPAQXSA-N	424.331	5.624	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	408809480	RTLMMLXNGFMVQV-GXDHUFHOSA-N	419.706	5.437	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2Cl)c1	408867630	MBCPBNRLUINHAO-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc4ccccc24)C(C#N)=C(N)O3)cc1	985848	KRNAEFHYQVMNFJ-QHCPKHFHSA-N	420.516	5.647	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C	28515426	ZTZQPAHRENPNMC-BOPFTXTBSA-N	402.885	5.697	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc(CSc3nc4ccccc4s3)cs2)ccc1O	32659492	RHSGGVQLHHIMJA-DHDCSXOGSA-N	421.572	6.123	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)cc1)[C@H](C)CC(C)(C)N2C(C)C	223589041	NABAGXJGLDMKDB-OXVLKEGXSA-N	411.977	5.913	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1	408582408	NXLZBIUZBKKJMS-KGENOOAVSA-N	419.908	6.390	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1C	408804953	HPSQECGQWCZYDR-LGIHDRQHSA-N	409.961	5.658	50	40	HKGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccc(OCc2cccc3ccccc23)cc1	408976137	PNCJCXIRNSHLPR-OXTKCVBUSA-N	412.533	5.695	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)c2C)cc1	409186374	BCTHPUYWEJHUJO-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C/c3cc(C)n(-c4ccc(C)cc4)c3C)cc2c1	409189125	IVPDKDWFQIRKSG-CVKSISIWSA-N	415.493	5.311	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)o1	409367904	NPELMCQXOABJRW-DHRITJCHSA-N	405.885	5.317	50	40	HKGB	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc4c(c3)-c3ccccc3C4)cs2)cc1	12618813	LILHXGDNDWYRCC-CIAFOILYSA-N	406.510	6.454	50	40	HKGB	
CCCCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OC	33660033	FMPHXMSGEGDLMD-YSMPRRRNSA-N	422.447	5.437	50	40	HKGB	
CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=C\C=C(C)\C=C/C=C(\C)C=O)C(C)(C)CCC1	62234641	DFMMVLFMMAQXHZ-AFPQQLQWSA-N	416.649	8.722	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccccc1	207827751	QWKKQKUXSFUMMD-HNDQUVLASA-N	421.840	5.293	50	40	HKGB	
O=C(N/N=C/c1ccco1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408724155	GOAIXEBXYVIJAP-YZSQISJMSA-N	406.445	5.049	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1C	408818292	VBXYBPDYPHOTSM-QGOAFFKASA-N	400.865	5.359	50	40	HKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)c1	408867219	JNHLYVJHHQFFRU-MKMNVTDBSA-N	419.706	5.355	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)c1	409094756	FWABFEIZIQTBAP-JXAWBTAJSA-N	404.922	6.345	50	40	HKGB	
CC1=CC[C@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)CCl)[C@H]1c1ccccc1	1408486	VZSRXJQSMQBLGG-ZEQKJWHPSA-N	416.952	6.257	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4C)CC(=O)N3C2)cc1Cl	4922608	HIFPTVRQYRQNCH-GOSISDBHSA-N	409.942	5.176	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)c2)cc1OC	6224616	GUXBFLLSOGSGBQ-PMFHANACSA-N	412.917	5.688	50	40	HKGB	
C/C(=N\NC(=O)COc1cccc(Br)c1)c1ccc(-c2ccccc2)cc1	12651759	WFVHROYYVCPDPW-LFVJCYFKSA-N	423.310	5.035	50	40	HKGB	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1	20243980	QYBBAVPIGWDJKR-WTJYETQFSA-N	410.926	5.763	50	40	HKGB	
O=C(CSCc1ccc2ccccc2c1)NN=C1CCCCCCCCCCC1	408724743	AHUIGJCJBHFJGV-UHFFFAOYSA-N	410.627	6.850	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)c1	408792135	INEWWUMPHZIFIH-YBFXNURJSA-N	420.871	5.912	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	408816260	RJEPHQQSSLRHRI-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)c(Cc2ccccc2F)c1	408867713	JVANHFQBPZXPII-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
C=CCc1cc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)ccc1OC	409038208	DYIZZHRMQHPOOU-VEILYXNESA-N	421.500	5.403	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409066453	OTGHRGCGKQHZNA-VKAVYKQESA-N	420.921	6.045	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	27490368	XVJQFYALNDYOOS-DHDCSXOGSA-N	401.318	6.580	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1cccc2ccccc12	59233090	LNWUXEAYMZCTIR-HAVVHWLPSA-N	404.469	5.964	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc21	223481289	WFEDJWOQNJTREI-XKZIYDEJSA-N	413.565	6.259	50	40	HKGB	
Cc1cc2nc3c(nc2cc1C)[C@@]1(CBr)CC[C@H]3[C@@]1(C)CBr	226593710	OVZPVJQBSKKHDB-PJSAGSTRSA-N	424.180	5.172	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)c(C)c1	408795817	NFIOBRIGJYIVGG-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c2C)cc1Cl	408809738	IOMFYBQXOLABJY-WOJGMQOQSA-N	407.876	5.741	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)Nc1ccccc1F	408813935	FDDSFGZFHHTIRG-AQTBWJFISA-N	406.844	5.604	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Cc2ccccc2F)c1	408865571	CZBLGEWYXYINPN-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl	408956951	ZIGIQLONMOBXBN-JJBLJPBOSA-N	421.928	5.264	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3c(C)cccc3C)c2C)cc1Cl	408982034	FHYHCBADPVUUIJ-MTJSOVHGSA-N	417.940	6.218	50	40	HKGB	
CC(C)(C)[Si](C)(C)Oc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)cc1	1776031966	LYUPVKFZFIERBV-UHFFFAOYSA-N	403.908	6.276	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)o2)cc1	1453955	NKTYCLROIMGQGO-GHRIWEEISA-N	420.852	5.322	50	40	HKGB	
N#C/C(=C/c1cc(Br)ccc1OCc1ccccc1)c1ccccc1F	6529622	BNFILBIUAIRLQW-PDGQHHTCSA-N	408.270	6.231	50	40	HKGB	
O=C(N/N=c1/scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1	16711487	ZYXVATOXPGTTIW-YYDJUVGSSA-N	405.910	5.105	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2cc(/N=N/c3ccccc3)ccc2O)ccc1Cl	32581085	RNQMFNBXUAHXJJ-ZXSYOUNQSA-N	422.872	5.299	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(OC)c1	33794036	GJNKBPCXAAYLML-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCC(=O)Nc1ccc(F)cc1	107625828	AOZNFSXEVHRYIK-ATVHPVEESA-N	420.415	5.055	50	40	HKGB	
COc1cc(C)ccc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@H]2C	260562887	CLQFDHDTSSBXCB-PYNCTGKJSA-N	421.585	5.577	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1nc2ccc(F)cc2[nH]1	408565919	CIXGALUONRTNSK-STZFKDTASA-N	419.459	6.498	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)n2nc(C)cc2C)ccc1OCc1cccc(C)c1	408979428	QNQOQXKDWMYBFK-LPYMAVHISA-N	415.493	5.033	50	40	HKGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	939439	WHLLENGCOGXMCA-WUXMJOGZSA-N	404.278	5.179	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(Cl)c1	4827449	YIEBJQUSRSSOLW-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccc(Br)cc2)cs1	8990007	NBYFRLUBKHXZPS-ZSOIEALJSA-N	412.268	5.545	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1Cl)c1ccccc1	59224763	WQNQHBSHJAUAPY-CEZZIEKDSA-N	416.908	5.703	50	40	HKGB	
Cc1c2ccccc2c(/C=N\NC(=O)c2ccc(Cl)cc2Cl)c2ccccc12	96836101	VFJZMJYBWOSMGT-ZMFRSBBQSA-N	407.300	6.372	50	40	HKGB	
Cc1ccc(/C(CBr)=N\N=C(\CBr)c2ccc(C)cc2)cc1	104200389	SCLYMVVXKLVGTI-SVJWQLCWSA-N	422.164	5.287	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1F	408548341	GOSPKQSITBHHSL-MYYYXRDXSA-N	423.487	7.021	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2ccccc12	408749723	SJMNCMATIUVWDI-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
COc1cccc(/C=N/NC(=O)c2ccccc2)c1OCc1cccc2ccccc12	408878733	BNNLMICKGCCODP-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(Cl)c2)c1	408939956	SVXLELNSUGGVMH-BKUYFWCQSA-N	416.908	6.027	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(C(C)C)cc1	409232596	AECRAHQDLLGBFX-HBAFHOPNSA-N	411.549	6.002	50	40	HKGB	
CCn1c2ccccc2c2cc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)ccc21	671037	SGHQQMUDNRLWQA-QHCPKHFHSA-N	411.505	5.265	50	40	HKGB	
CC(C)[C@@H]1C[C@H](C)CC[C@@H]1OC(=O)[C@H](Br)C12CC3CC(CC(C3)C1)C2	4031854	XDESLZPXEGCJAM-IIUDEJSSSA-N	411.424	5.970	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2ccc(N(C)C)cc2)nc1-c1ccccc1	4981776	SBBUAPGEDLGGMI-NBVRZTHBSA-N	402.523	5.289	50	40	HKGB	
CC1=C(/C=C/C(C)=C/C=C\C(C)=C/C=N\NC(=O)c2ccncc2)C(C)(C)CCC1	5497357	VOUCNJZICKBIMN-AUTBUQSCSA-N	403.570	6.329	50	40	HKGB	
CCCCCc1ccc(-c2ccc(C(=O)NNC(=O)c3ccccc3Cl)cc2)cc1	6681507	WIICYQPLZJBEET-UHFFFAOYSA-N	420.940	5.815	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1)c1ccc2ccccc2c1	9361385	VYZYARIYKJBPCE-MXAYSNPKSA-N	423.303	5.691	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3Cl)n2)cc1	13765692	PBGAFNBHMNJFHS-RAXLEYEMSA-N	402.306	6.102	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1	59473737	HIWDFGMJLULGME-ZMOGYAJESA-N	415.345	6.050	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1Oc1ccc([N+](=O)[O-])cn1	108188463	CRABDDFTLNZSGP-MTJSOVHGSA-N	423.428	6.008	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccccc1Cl	408530623	MKFYZZXSHLIUEH-PDGQHHTCSA-N	411.730	6.574	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1C	408735510	TVOXXMXXQLHRMV-FYJGNVAPSA-N	417.940	6.218	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccc(F)cc1	408799242	GXAPPJWVMPKBQE-FZVPUQAXSA-N	422.500	5.015	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3F)cc2)cc1C	408876621	QOAMVKKVRFVEMU-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1cccc(Cn2cc(/C=N/NC(=O)c3ccc(Cl)cc3)c3ccccc32)c1	409000989	ZONPIAHULVDXFM-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
Cc1cc(Br)ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)o1	1106160	KHZDPROATNEYQY-NTCAYCPXSA-N	413.315	5.373	50	40	HKGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	5414903	UGTFSKMHVYKANQ-IKRTZVAJSA-N	412.533	6.229	50	40	HKGB	
O=C(N/N=C/c1cc(/N=N/c2ccccc2)ccc1O)c1cccc(Br)c1	9668309	LSFRJVPKTZFWHY-QTANEOQUSA-N	423.270	5.334	50	40	HKGB	
COc1c(Cl)cc(Cl)cc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1	16194603	QPABADFVZSHSFI-MYKKPKGFSA-N	413.260	5.665	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCc2ccccc2)cc1	33339462	TYKMHYMNYAVQKP-KQWNVCNZSA-N	418.500	5.071	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1)c1ccccc1	137043163	QWOBKDUZCJHADV-SDLXJUDFSA-N	400.453	5.189	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208461037	KHCLXBHKSFNZON-UVHMKAGCSA-N	415.459	5.409	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260565721	JRERHSLOXYEMSP-LTKMBJGESA-N	407.945	5.916	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1nc2ccc(F)cc2[nH]1	408569305	NAMNXHHXSJXJPH-ZDLGFXPLSA-N	413.408	5.043	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)cc1	408743328	ZYQLJKKODDNBMC-WPWMEQJKSA-N	416.569	5.782	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)c1	408743915	CJHSQQYFTDLCFI-IWIPYMOSSA-N	405.501	6.101	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)NC(C)C)cc(OC)c1OCc1ccc(Cl)cc1	408777288	XUKYRZGWQXOBSC-NDENLUEZSA-N	424.928	5.088	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1Cc1ccccc1Cl	408877212	QSKIAGWGKUPINS-FYJGNVAPSA-N	416.908	5.794	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2CC)cc1OCC	408877597	VZIHLVXLSMPTTP-LDADJPATSA-N	412.917	5.636	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)c1C	408983944	OSOCEYILFDIFKJ-BKUYFWCQSA-N	417.940	6.164	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1OC	409072040	AJUWOLJZPVFAKW-KGENOOAVSA-N	402.494	5.151	50	40	HKGB	
CN(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	409180477	UCSNVXNZLXPHIL-MTDXEUNCSA-N	423.516	5.249	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1ccc(/C=N/NC(=O)c3cccc(Cl)c3)cc1)C2	3093607	OZAGFQPPHLNYCY-LGJNPRDNSA-N	403.913	5.241	50	40	HKGB	
Cc1nc(/C(C#N)=C/c2ccco2)sc1/N=N/c1c(Cl)cc(Cl)cc1Cl	4292653	UZKGINFZLNNJNZ-ZGSZQTHTSA-N	423.712	7.484	50	40	HKGB	
C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\NC(=O)c1cccc(Cl)c1	4713561	XVBLKXKJUOMOSZ-GZFBLVEDSA-N	422.956	5.688	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c([N+](=O)[O-])c1	4818941	NFMFOVFVWRWQAT-LFIBNONCSA-N	406.467	5.320	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@@H](c4ccc(F)cc4)CC(=O)N3C2)cc1Cl	4922685	CYTBKZVJJXQDRQ-QGZVFWFLSA-N	413.905	5.007	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12)C1=CC=C(Cl)CC1	5638691	YKMCWIKGZZDXGC-JVWAILMASA-N	401.897	5.850	50	40	HKGB	
Cc1ccc(OCc2ccc(C(=O)N/N=C\c3cccc(Br)c3)cc2)cc1	32119740	OOIZQNVBPWFFCN-OYKKKHCWSA-N	423.310	5.100	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1ccc2ccccc2c1	35518295	NLXATWCPDSTDQL-XMHGGMMESA-N	409.401	5.554	50	40	HKGB	
CC[C@H](C)n1cc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)c2ccccc21	96868659	OERXCZFHAHQYTA-HJHGFDQJSA-N	410.521	5.359	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)[C@H]1C[C@H]2CC[C@H]1C2	105893167	GVHDCDKVQJQNKZ-JPYZFXNSSA-N	417.940	6.097	50	40	HKGB	
N#C/C(=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1)c1ccccc1F	107910285	COMUIWVPRSCWPJ-NVMNQCDNSA-N	423.274	6.647	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3OC)cc2C(C)=CC1(C)C	208522928	WTRDEGANBXUTSD-CVKSISIWSA-N	405.542	5.098	50	40	HKGB	
N#C/C(=C\c1cccc(OCC(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1Cl	408580681	QQQBJHLZLGBQQZ-GZTJUZNOSA-N	423.299	6.075	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)COc3cccc4ccccc34)c2C)c1	408758066	GGVLZCASWXAKRK-YUMHPJSZSA-N	411.505	5.085	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cccn3-c3ccc(Br)cc3)[nH]c2cc1C	408815512	JPMBWVSYTBOOQZ-VBKFSLOCSA-N	417.310	5.797	50	40	HKGB	
Cc1cccc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1C	409186314	AGAMMBBOOKCQBF-UUYOSTAYSA-N	405.483	5.080	50	40	HKGB	
Cc1c(Br)cc(/C=C(/C#N)c2ccc3c(c2)OCO3)cc1Br	409364729	OXGIUDICNHSKQH-PQMHYQBVSA-N	421.088	5.313	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)o3)[nH]c2c1	409392020	MYGUJTGTPXFWAB-RAXLEYEMSA-N	407.882	6.033	50	40	HKGB	
CC(C)(C)c1ccc([C@H]2C(C#N)=C(N)Oc3n[nH]c(-c4ccc(Cl)cc4)c32)cc1	664578	MBQJDIYLBHPERQ-SFHVURJKSA-N	404.901	5.246	50	40	HKGB	
Cc1cc(C)c2nc(Cl)c([C@H]3C(C#N)=C(N)Oc4ccc5ccccc5c43)cc2c1	898848	GCXRMFIYMUCQBS-NRFANRHFSA-N	411.892	5.876	50	40	HKGB	
C[C@H](c1cccc(Nc2ccnc3cc(Cl)ccc23)c1)N(CCCl)CCCl	1713942	BRIBHQPOKSGFIR-OAHLLOKOSA-N	422.787	6.472	50	40	HKGB	
N#CC1=C(/N=C/c2ccc(Br)cc2)c2ccccc2CC12CCCCC2	2311467	PABCGPIBYMKSQR-WGOQTCKBSA-N	405.339	6.309	50	40	HKGB	
O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	3116139	HOLOKKGFPPHNHN-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
COc1cc(Br)c(/C=C(\C#N)c2nc3ccccc3s2)cc1OC	5720119	WVQAZGTYRYAUQV-KPKJPENVSA-N	401.285	5.140	50	40	HKGB	
COc1ccc2nc(N(/N=C/c3cccs3)C(=O)c3cccc(F)c3)sc2c1	7510994	HLEHHUCUYYZWPC-WSDLNYQXSA-N	411.483	5.186	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1	35519075	JIWNLFIRNPEYCW-QLENYVDCSA-N	410.395	5.750	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC/C(=C\CBr)[C@@]4(C)CC[C@@H]32)C1	123440215	NLDPKKXGYUXOJP-QKBVTBBUSA-N	423.435	6.282	50	40	HKGB	
COc1ccc2c(c1)c(CO[Si](C)(C)C(C)(C)C)c(C)n2C(=O)OC(C)(C)C	197883287	UGJFUOWCJFRMOY-UHFFFAOYSA-N	405.611	6.263	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1	252498900	RPMPTCIIHHDBJS-XSFVSMFZSA-N	414.461	5.402	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)c1ccc(Br)cc1	408580710	RCPOEPYWUWHRSF-XDHOZWIPSA-N	424.725	6.746	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1OCc1cccc(F)c1	408796400	AFLHRKBVDUFMEM-WOJGMQOQSA-N	420.415	5.098	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c(Cc2ccccc2F)c1	408876884	OOOOWZSJUAMJLX-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1OC	409068147	FUUIROKNBSDBGW-QGOAFFKASA-N	408.885	5.188	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc3ccccc23)c2ccccc12)c1ccc(Cl)cc1	409354517	GWDXNRXLGVXSFL-KQWNVCNZSA-N	418.927	7.560	50	40	HKGB	
N#CC1=C2SCN(c3ccccc3)CN2C(=O)C[C@@H]1c1c(Cl)cccc1Cl	6577097	WGHQQXSBQFWGEQ-AWEZNQCLSA-N	416.333	5.213	50	40	HKGB	aggregator
CCCC[C@@H](Br)C(=O)Nc1nc2c(C(C)C)cc(Cl)cc2s1	20132989	HZFRUXFCACBJMU-GFCCVEGCSA-N	403.773	5.965	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)C(=O)Nc1ccc(O)cc1	33552067	KEEJDOVROQQRFH-QBFSEMIESA-N	412.923	5.804	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1C	59145692	WYLJSOIPYRHURM-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1C	59255759	ZLEYNHTVJYXVBI-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)c1ccc(Cl)cc1	408579662	JGYUGYRJIQFBHL-WOJGMQOQSA-N	414.719	7.290	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2Cl)c1)c1cccc(Cl)c1	408598591	FEMRURWWXADMKK-NVMNQCDNSA-N	414.719	7.290	50	40	HKGB	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(C)C	408794759	SVPBLMFPRXKSQK-OVCLIPMQSA-N	403.309	5.980	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OC(C)C	408814842	ZUCGNOPMDLCQGO-OQLLNIDSSA-N	419.308	5.725	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2Cl)cc1	408866630	IKWFTJOVPACCQI-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(C)c(Cl)c2)c1	409013955	OCEILWDEVMUNNP-ATVHPVEESA-N	405.885	5.384	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CCc2ccccc2)c(C)n1-c1ccc(Cl)c(Cl)c1	409127951	RYSGRZHZKPPHTM-AFUMVMLFSA-N	414.336	5.484	50	40	HKGB	
ClCCSC(SCCCl)=C(SCCCl)SCCCl	1605855	GPKGGFPIKUMSRQ-UHFFFAOYSA-N	406.318	6.001	50	40	HKGB	
Cc1cccc(NC(=O)[C@H](Br)[C@H](Br)c2ccccc2)c1C	1739460	CXIMUDDYVZORRS-HZPDHXFCSA-N	411.137	5.142	50	40	HKGB	
CC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	1825062	OHOBAEIYXZNGQM-XNTDXEJSSA-N	414.317	6.296	50	40	HKGB	
CCCCCOc1ccccc1/C=N/NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl	2178172	LKZUHSQGCGITLW-LZCVXGSNSA-N	423.340	5.480	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1OC(=O)c1cccs1	4819620	LFXLJUSIJSHJAO-FOWTUZBSSA-N	415.474	5.306	50	40	HKGB	
CCc1ccc(N2CSC3=C(C#N)[C@@H](c4ccccc4Cl)CC(=O)N3C2)cc1	4922940	BIPWAKVJBXIWES-GOSISDBHSA-N	409.942	5.122	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)c(C)c1	28217379	AVEDFGLCTMFPIM-BRJLIKDPSA-N	414.336	5.782	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1	59116793	GQDHZKFNDIZQOS-GZTJUZNOSA-N	424.834	5.743	50	40	HKGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	59117480	AKOANFVAYVLHFS-NTUHNPAUSA-N	409.700	5.980	50	40	HKGB	
CC(C)C[C@@H]1C(C#N)=C(SCC(=O)c2ccc3ccccc3c2)N[C@H]2CCCC[C@@H]21	170622659	DGDGRJOBRCHBBS-GPXNEJASSA-N	418.606	6.315	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1	408744553	YMOQNDLASXTNND-BOPFTXTBSA-N	420.856	5.201	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccc(F)cc2)c1	408797747	GYPNZFIIKAXRGF-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3Cl)c2C)c1	408861586	SYIZVSWPHSBCMS-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
CCOc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(OCC)cc3)c2C)cc1	409187886	VPQWMFUQQPLRHD-XYGWBWBKSA-N	420.513	5.047	50	40	HKGB	
Cc1ccc(C)c(NC(=O)[C@@H](Br)[C@H](Br)c2ccccc2)c1	1801164	AKBOOFCIAWVBLN-CVEARBPZSA-N	411.137	5.142	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1C	4106819	AZGHCMOSFLWRLU-JCMHNJIXSA-N	413.521	5.519	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2cccs2)ccc1OCc1cccc2ccccc12	5512850	KIOBLDCMYCMFMT-MFKUBSTISA-N	416.502	5.253	50	40	HKGB	
N#C/C(=C\Nc1ccccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	7347993	YMUICFKXVZOQCI-SDNWHVSQSA-N	405.866	5.546	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1sc2ccccc2c1Cl	8398599	GLTKCWFFOIWJLZ-AFUMVMLFSA-N	420.921	5.898	50	40	HKGB	
N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NC(=O)c1ccc(F)cc1	8812462	FCQRSYMTTRMREN-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
N#C/C(=C\c1cccc2ccccc12)c1nc(-c2cc3ccccc3oc2=O)cs1	13029449	GJENEKJTGINARS-XDHOZWIPSA-N	406.466	6.134	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	17090522	UTWBFZAOLWIZHN-BOPFTXTBSA-N	416.352	5.757	50	40	HKGB	
CCCCSC1=C(C#N)[C@@H](c2ccco2)C(C(=O)OCC)=C(c2ccccc2)N1	20348213	QOWNDPNQMCWAFS-IBGZPJMESA-N	408.523	5.209	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc1OC	33654692	ZGAAAHJCKBKYEH-OBTCNRAFSA-N	410.728	6.897	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1	33932375	HYBYSQJIVBUFRF-MPMPPSQCSA-N	420.852	5.083	50	40	HKGB	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(C(F)(F)F)c1	59225011	SZLLMEFJQVTQCO-ATVHPVEESA-N	408.379	6.043	50	40	HKGB	
C[C@H](CCCBr)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C	84669812	SKEJXYMDPZXNQY-OLSVQSNTSA-N	423.479	6.738	50	40	HKGB	
O=C1C(=C2CCCC2)CC/C1=C1/SS/C(=C2\CCC(=C3CCCC3)C2=O)S1	104198407	SYNOZXWMRTWNAH-QGFZOGOGSA-N	416.633	7.005	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@@H]3C)cc1	208237803	XXNBFZAULCMUCC-YLRSXTQRSA-N	421.972	6.170	50	40	HKGB	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1OCC	408537404	DQCNUJUZQBADPM-CJLVFECKSA-N	406.526	5.268	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1ccc(O)cc1	408792907	MIKAVNGNOJNJBI-QGOAFFKASA-N	404.853	5.170	50	40	HKGB	
COc1ccc2ccc(OC)c(/C=C(\C#N)C(=O)Nc3cc(Cl)ccc3C)c2c1	408798970	XLTWXHRVAOUPGF-MHWRWJLKSA-N	406.869	5.365	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408887740	SUZSXMHLZBVMMV-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc3c(c2)OCO3)cs1	4807964	YIUXBRFBOCBJLN-ACAGNQJTSA-N	401.274	5.910	50	40	HKGB	
CC1(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)SCCS1	6348160	RPMNWJYSXPWUSI-KEBDBYFISA-N	415.367	5.290	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1)c1ccc(Cl)c(Cl)c1	9110223	OEKZUGFKFIIXGG-YVNNLAQVSA-N	407.688	5.191	50	40	HKGB	
CCCCC/C(CCCCCCCC/C(CCCCC)=N/NC(N)=O)=N/NC(N)=O	13799215	BFVOUYRKKBGMOI-GAHATOAQSA-N	424.634	5.316	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)cc1	27020785	FGRCLYOPPDXPBM-XSFVSMFZSA-N	415.518	5.706	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	48573610	QJTQLUIGRADBSB-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
O=C(CCc1ccccc1)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	58871504	UPYHZDBWPOTCPT-TURZUDJPSA-N	408.501	5.502	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1	408585858	JLFPOCLVGIVGBA-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1ccc(Cl)c(Cl)c1	408586720	OYOKHHPJUCRSRV-QPEQYQDCSA-N	419.651	6.879	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Br	408760482	ZJUBOUSFJUEMHE-MDWZMJQESA-N	405.679	5.047	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2)c1)C(=O)Nc1cc(Cl)ccc1Cl	408762872	CFQZLBIZYUXYSF-WQRHYEAKSA-N	423.299	6.118	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)c(C)n1-c1ccc(I)cc1	408777977	NJHWSVNSZXEYGD-CPNJWEJPSA-N	424.285	5.763	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2Cl)c1	408868338	PREGOUGEFQQAFJ-LPYMAVHISA-N	400.909	6.093	50	40	HKGB	
O=C(CCn1c2ccccc2c2ccccc21)N/N=C/c1ccc(Cl)cc1Cl	1808754	OFMDTSGGVBOZRT-AFUMVMLFSA-N	410.304	5.642	50	40	HKGB	
CCc1ccccc1N/C=C(\C#N)c1nc(-c2cccc(Br)c2)cs1	4815195	KPYPTZVHNPCHRR-FOWTUZBSSA-N	410.340	6.112	50	40	HKGB	
COC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2cccc3ccccc23)cs1	4995867	GELRPRIHBTUUPY-SAPNQHFASA-N	411.486	5.726	50	40	HKGB	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccccc1OCc1ccc(F)cc1	6049355	SRZSNYJGFRNKOO-UHFFFAOYSA-N	416.496	5.848	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccc(F)cc2)c2ccccc2n1Cc1ccc(Cl)cc1	8812479	RVPRGUGBLNLCKK-MZJWZYIUSA-N	419.887	5.554	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(F)cc2)c(C)n1-c1ccc(N2CCOCC2)cc1	13402017	NIPRMJZZICCSQI-JWGURIENSA-N	401.485	5.134	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc2[C@@H](C)CC1(C)C	223531753	HBNXDCRBLPZCOU-IAFWPLRWSA-N	401.554	5.961	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccccc3F)c3ccccc32)c1	408802636	ZQXOGXMOWCYLBF-XSFVSMFZSA-N	409.464	5.683	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2cc(C)cc(C)c2)c(OC)c1	408867685	JQFXBPXOHODNAO-MFKUBSTISA-N	424.544	6.011	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1OCc1ccccc1	408869432	PJFVANXWOORJGL-PXLXIMEGSA-N	412.489	5.382	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c(C)n1-c1ccccc1	408924854	OYIAQCYXOIVQEV-GZTJUZNOSA-N	420.856	5.201	50	40	HKGB	
CC(C)Oc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409036086	KKCCJZCXBXPEGT-PKAZHMFMSA-N	409.489	5.453	50	40	HKGB	
N#C/C(=C/c1cn(CCOc2ccccc2)c2ccccc12)C(=O)Nc1ccccc1	409217846	XKQSVKBESPRWCK-JZJYNLBNSA-N	407.473	5.266	50	40	HKGB	
CCOP(=S)(OCC)Oc1cc(C)nc(-c2ccc(C(F)(F)F)cc2)n1	2555971	RVYRMTAQFPOVNP-UHFFFAOYSA-N	406.366	5.147	50	40	HKGB	
CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N/N=C/c2ccccc2Cl)cc1	3193651	VWDRWSNNPRTLQG-AFUMVMLFSA-N	400.950	5.583	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1	4815522	OMABAENKRJBFGC-AUEPDCJTSA-N	407.684	5.979	50	40	HKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1ccccc1C#N	6441312	AVWMRVDJSDIGRL-BUVRLJJBSA-N	416.480	6.363	50	40	HKGB	
C/C(=N\NC(=O)CSC1c2ccccc2-c2ccccc21)c1ccc(Cl)cc1	20247439	XOVFAKDXJDNIPT-MFKUBSTISA-N	406.938	5.683	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C	223562860	IVYGHHSTEDNNKP-HAWKZNDISA-N	408.546	5.351	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c3ccccc32)cc1	408542092	GQQKLNWAXWESST-HMAPJEAMSA-N	416.528	6.555	50	40	HKGB	
COc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC	408891832	VYFNLTIJDWIRJO-IZZDOVSWSA-N	411.672	5.210	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc([N+](=O)[O-])cc1	409201273	LDAOXNBKBCBPCF-UYRXBGFRSA-N	413.864	6.315	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)cc1	2769407	IDKDSGPKQOSTIR-MOROIOLQSA-N	413.546	6.241	50	40	HKGB	
Cc1noc2nc(C3CC3)cc(C(=O)NNc3c(Cl)cc(Cl)cc3Cl)c12	14212710	MBNRVIVEZGGNDK-UHFFFAOYSA-N	411.676	5.126	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	59447322	DISYUSBLIWDFGR-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1	408741216	HNCNQVDFDATISH-UNOMPAQXSA-N	418.880	5.473	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)ccc1Cc1cccc(F)c1	408872691	OGNSDYUKRBUWBS-LPYMAVHISA-N	414.480	5.588	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccccc2)c(C)n1-c1cc(Cl)ccc1Cl	409001651	PYHXQRZSJZTXRV-CFRMEGHHSA-N	400.309	5.094	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)n1-c1ccc(Cl)c(Cl)c1	409196396	ZWNIXTAPTIAGHZ-MHWRWJLKSA-N	402.325	5.367	50	40	HKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	2335113	PGTXLAZMJZHEFT-VULFUBBASA-N	403.869	5.315	50	40	HKGB	
CCCCCCCCCC[C@H](Br)C(=O)c1cc(C)ccc1OC(C)=O	100931358	FJTCPGTXNAIAAY-IBGZPJMESA-N	411.380	6.397	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2[C@@H](C)CC1(C)C	223535215	ADHKKEABCAWQAC-IAFWPLRWSA-N	401.554	5.961	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3cccc4ccccc34)cc2[C@@H](C)CC1(C)C	223575595	WEOIVWYUDUMFQX-XTFCHBONSA-N	413.565	6.024	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(F)cc2)c1C	408798684	WPUYLXAINDLSIC-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccccc2)cc1Br	409054466	GITCWWGDMPHCQZ-OQLLNIDSSA-N	421.132	6.065	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1	409251335	PFESIHIOZLWQRY-CEZZIEKDSA-N	416.908	5.703	50	40	HKGB	
C[C@@H]1C/C(=N\NC(=O)c2ccc(COc3ccc4ccccc4c3)cc2)CC(C)(C)C1	6899306	KDAAGTMCXXKAKH-PJJNDMSDSA-N	414.549	6.351	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N/NC(=O)[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1	27461355	AWGFBOMWGBKOJZ-OUUJFTEISA-N	414.549	5.790	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1)c1nc2ccc(F)cc2[nH]1	408568505	JYLKWXDYTQXKQE-YVLHZVERSA-N	414.396	5.253	50	40	HKGB	
O=[P@](Nc1c(Cl)cccc1Cl)(c1ccccc1)c1nc2c(s1)CCCC2	3194316	LHSNENPABAADRR-RUZDIDTESA-N	423.305	5.670	50	40	HKGB	
O=NN(CCCl)C(=O)N[C@@H]1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21	5051781	XTNGPCORSCMZFO-OAHLLOKOSA-N	419.095	5.648	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	6571385	IFIZEXJHYKRMAY-HKWRFOASSA-N	413.521	5.643	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(C(=O)O)c2)o1)Sc1nc2ccccc2s1	33546389	BOKFLNDIFOPKHD-LFIBNONCSA-N	404.472	5.911	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(F)cc2)cc1)c1ccccc1	40007536	BMMNQVTVLLSCGI-LUJYGJGBSA-N	400.453	5.189	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1	58917500	AKFZRSMIZDGTQW-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1C	59474290	WKHHOQRQLDZVPQ-VULFUBBASA-N	422.981	6.321	50	40	HKGB	
CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc(SC#N)c(Cl)c1	100148758	KCKYLIIZEFECIZ-LDADJPATSA-N	418.909	5.785	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=N/NC(=O)c3ccc4ccccc4c3)cc21	223477303	LXWXYKOKSLUXHA-OGLMXYFKSA-N	411.549	6.014	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2[nH]1	408598651	HDFHGDMJRIJOGG-UYRXBGFRSA-N	417.921	6.452	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1Br	408799786	LDMDTTAJIQIFBF-NTEUORMPSA-N	419.706	5.435	50	40	HKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	408814856	WIUCUOGBBJGFSC-HUCUOGIVSA-N	405.929	5.473	50	40	HKGB	
O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1)c1cccc2ccccc12	408882117	PZGWHGCFRWZSIO-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
CCOP(=O)(OCC)C(C#N)=C1SCN(c2ccccc2Cl)CS1	4064362	LQEYOWSZBNAUSF-UHFFFAOYSA-N	404.881	5.500	50	40	HKGB	
Nc1ccc(C(=O)N/N=C\c2cc(/N=N/c3cccc4ccccc34)ccc2O)cc1	4893891	DQKGBPUXEVJYAB-BBTJEBRRSA-N	409.449	5.307	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccccc1	8534200	JIWNLFIRNPEYCW-LUJRCDHRSA-N	410.395	5.750	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)cc3C)cs2)c(C)cc1[N+](=O)[O-]	9363542	NHAKRWBWZODJLC-LFIBNONCSA-N	420.494	5.629	50	40	HKGB	
CC/C(=N/NC(=O)c1sc2ccccc2c1Cl)C12CC3CC(CC(C3)C1)C2	33734369	XHCJBOINTSAFHL-MOHJPFBDSA-N	400.975	6.267	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)cc1Cl	408691748	OSROYKHBMQAJBL-ODLFYWEKSA-N	400.913	6.013	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C	408744274	KAUIDOHSGIXDHJ-JWGURIENSA-N	411.549	6.246	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3C#N)cc2)c1C	408798315	WAYQTHKSMKUHDP-OEAKJJBVSA-N	407.473	5.300	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1)C(=O)Nc1cccc(Cl)c1	408800177	NLUUVYDLHQGCIJ-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)o2)cc1C(=O)O	408852001	PDVSYYIEVYJWPS-DHDCSXOGSA-N	406.825	5.152	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)cc1	408875313	JIACWXKFMHLCGI-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
CC(C)COc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	409033144	DWQUJPUMHZRMFK-QRQIAZFYSA-N	423.516	5.701	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1	409068156	HNHIFLGVYLJESE-HZHRSRAPSA-N	415.920	6.720	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)C(c1ccccc1)c1ccccc1	409393221	VWLOIJKNHQLSEV-WPWMEQJKSA-N	414.892	5.882	50	40	HKGB	
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](N=C=S)[C@@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1	1857795627	OTQCKYVOOJVJQT-FFCZMTKBSA-N	415.599	5.167	50	40	HKGB	
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(OC(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-]	1736363	JOXGSEZGZMOQCI-UHFFFAOYSA-N	407.810	5.373	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)c1nc2ccccc2s1	4618112	VHQBGLFESJGAMX-QGOAFFKASA-N	402.906	6.593	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2cccc(Cl)c2)c2ccccc12	9202535	YQTIEPCNPSNBTD-JFLMPSFJSA-N	415.924	5.724	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)c1ccc(C(=O)O)cc1	33467886	FLKKXBZJWZFVSJ-UNOMPAQXSA-N	424.283	6.335	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1ccccc1	33676316	HQUFJJDLZHFCLE-UNOMPAQXSA-N	407.872	6.521	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc(F)c2)cc1	59296900	DOLLTFARJQULCP-KGENOOAVSA-N	400.453	5.513	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(O[C@@H](C)CC)c(OC)c2)cc1	107848547	ZNFYFVOHSQYLFP-GZQZNAIASA-N	412.917	5.634	50	40	HKGB	
Cc1c(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)c2ccccc2n1Cc1ccccc1	408566349	FXGGTRBNTYAWDD-UYRXBGFRSA-N	406.464	6.078	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1	408788961	GSVHEICSYBSVGH-UKTHLTGXSA-N	423.812	5.062	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)c1	408962027	FRQCMJIMTLSOSY-UVHMKAGCSA-N	413.443	5.494	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(Cl)cc1	409365928	QEEFLCBNHPKLFC-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(C)cc1	409394207	XEKRCSIJWPBXFU-NHDPSOOVSA-N	421.899	6.829	50	40	HKGB	
Cc1oc2cc(OC(=O)CCCCl)ccc2c(=O)c1-c1nc2ccccc2s1	2385357	PQVWPKJCHRXIAY-UHFFFAOYSA-N	413.882	5.303	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1ccc(Br)cc1	3132219	UWHXYYVBHSDHQL-ZVHZXABRSA-N	403.279	5.519	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(F)cc1	4962165	KEXRXGNKZOFFNS-LDADJPATSA-N	416.477	6.087	50	40	HKGB	
N#C/C(C(=O)COc1cc(Cl)c(Cl)cc1Cl)=C1\Nc2ccccc2S1	13015025	ZGWFGPPDAUJTDU-MFOYZWKCSA-N	411.697	5.548	50	40	HKGB	
COc1cccc(C(=O)Oc2ccc(/C=C(\C#N)c3ccc(Cl)cc3)cc2OC)c1	27563452	RRSNTRCWUKSINS-XDHOZWIPSA-N	419.864	5.641	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1	39884459	TXZDZRCOWMETAN-RVDMUPIBSA-N	421.840	5.616	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	59117241	ZBXDEAXWJBXWRC-GXDHUFHOSA-N	419.706	5.437	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	97981417	SFPGMTKIPSDYDE-AZJLSSPBSA-N	404.554	6.210	50	40	HKGB	
COC(=O)c1ccc(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	97983531	NGVSSXOFWKZJPA-UHFFFAOYSA-N	411.441	5.282	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)Cc1cccc3ccccc13)[C@H](C)CC(C)(C)N2C	208217216	CPPSZFHPTKGDBN-WKTMJKCCSA-N	413.565	5.563	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408581022	GEGWRFYIRNKJKR-MHWRWJLKSA-N	400.272	5.095	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1	408581912	ZWKHBEPGEFVFAP-YBFXNURJSA-N	424.283	6.335	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1	408758645	OLRXUIPBYZCQDL-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)c1C	408770732	BPEFJITXODVWPZ-VBKFSLOCSA-N	414.490	5.470	50	40	HKGB	
Cc1ccc(COc2ccc3ccccc3c2/C=C(/C#N)C(=O)NC2CCCC2)cc1	409194102	MUVXOBWTDPHTEV-JWGURIENSA-N	410.517	5.693	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(Cl)c1OC(C)C	409230429	DBPWVWYVMYLZLF-VXIUPONVSA-N	412.917	5.310	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)o1	867574	NZWDSHLAGCQNPF-SFQUDFHCSA-N	401.422	5.326	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1)c1ccncc1	7141328	RJUPVSLPFNJBLX-ZTKZIYFRSA-N	421.500	5.482	50	40	HKGB	
C/C(CC(=O)Nc1ccccc1C(F)(F)F)=N\NC(=O)c1ccc(C(C)(C)C)cc1	101543771	XQTCWRXTAZYMCW-MZJWZYIUSA-N	419.447	5.137	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc21	223481639	FIIBKDRDEUAXEA-ODLFYWEKSA-N	419.956	6.296	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc2[C@@H](C)CC1(C)C	223574202	LFDQEFLTOBWIMG-XTFCHBONSA-N	413.565	6.024	50	40	HKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)Cn3cnc4ccccc43)c2C)c1	408691768	PKHZEUIQZINSNZ-MOSHPQCFSA-N	424.504	5.228	50	40	HKGB	
O=C(CSc1ccccc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	408868449	OJMTXMIIOMMLJC-ZVHZXABRSA-N	410.926	5.161	50	40	HKGB	
Cc1cc(C)cc(Cc2ccccc2/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c1	408875169	GPENTFRVEMOQJH-HYARGMPZSA-N	411.461	5.348	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)Nc1c(Cl)cccc1Cl	408889749	GSXCIJOHOVJOCK-JLHYYAGUSA-N	417.679	6.452	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)o1	408965986	YJCLYTSUTISCED-OPEKNORGSA-N	406.791	5.691	50	40	HKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	639088	FBIXCGDYYFODPC-HNNXBMFYSA-N	403.334	5.574	50	40	HKGB	
C=CCOc1ccccc1/C=N\NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1	4534506	CXBSUQBOTDEFEY-QQXSKIMKSA-N	420.896	5.248	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OCc1ccc(C)cc1	4604742	RHTUZYVXSPRPNO-DEDYPNTBSA-N	412.514	6.257	50	40	HKGB	
CC[C@H](Sc1nc2ccccc2[nH]1)C(=O)N/N=C/C(C)=C\c1ccc(C(C)C)cc1	4631359	WHLZZYNTMGIASO-PQEDYSAHSA-N	420.582	5.763	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3cccc(Br)c3)o2)cc1Cl	9668338	YMNRLMDFIBZNEA-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1	16411795	UPUQKCJAMWUXHF-XNTDXEJSSA-N	421.840	5.671	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1C	33643397	UAOWZJKOVPKXCL-IWIPYMOSSA-N	411.549	6.127	50	40	HKGB	
COc1cc(/C=C/C#N)c(Br)cc1OCc1ccc(Cl)cc1Cl	33864494	LUNZUZFEGJDHCN-NSCUHMNNSA-N	413.098	5.880	50	40	HKGB	
CCOc1ccc(/C(C)=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473121	MXLUSBOWGUJMGM-LGUFXXKBSA-N	418.562	5.673	50	40	HKGB	
CCc1ccc(N/C(SC)=C(\C#N)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1	103218814	QXQOPAABOLWWMY-MRCUWXFGSA-N	414.596	5.488	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2[C@H](C)CC1(C)C	208329617	TZOMEIDILYXZGV-UEXNTNOUSA-N	405.517	5.792	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1OCc1ccc(Cl)c(Cl)c1	408777024	USEOEAUTQZQHIG-PXNMLYILSA-N	419.308	5.013	50	40	HKGB	
Cc1ccc(N[C@H](c2ccccc2O)P(=O)(c2ccccc2)c2ccccc2)cc1	3109449	WAENCJJGEPQXQI-SANMLTNESA-N	413.457	5.825	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(Cl)cc2Cl)cc1	3470870	LALOYGBJXLQQMH-ZVHZXABRSA-N	422.356	5.149	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	13586126	NSMFJXUOIDQXQG-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1nnc(NC(=O)c2ccccc2)s1	16476848	PTFDDMLNESBFIL-FOWTUZBSSA-N	416.437	5.254	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cc(Cl)ccc1Cl	28217395	LJAJBNKLLXUYFF-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
Cc1ccc(/C(CBr)=N/N=C(\CBr)c2ccc(C)cc2)cc1	104200387	SCLYMVVXKLVGTI-KSTNYAOJSA-N	422.164	5.287	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1	208210566	WDBSNWQFTZNKQV-YNGKYYQNSA-N	417.553	5.661	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1C)N(CC)C(C)(C)C=C2C	208518187	HDEVTVQSWRHPNO-HMAPJEAMSA-N	413.565	6.125	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1	209403849	MVATXYMXPSMIEH-RGVLZGJSSA-N	422.297	6.540	50	40	HKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)cc1	408719437	FCSRQNJVDHLVIV-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408796862	QJPVLCVJFNWEQE-AWNIVKPZSA-N	409.700	5.900	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)N[C@@H]3CCCC[C@@H]3C)cc2)c(C)c1	408797132	GGPGNZKVWYBLDJ-GDPGQWKSSA-N	416.565	5.793	50	40	HKGB	
C#CCOc1cc(Br)c(/C=C(\C#N)c2ccc(Cl)cc2)cc1OC	2848567	WVNNHWWFWGVOSR-OQLLNIDSSA-N	402.675	5.187	50	40	HKGB	
O=[P@](Nc1cccc(Cl)c1Cl)(c1ccccc1)c1nc2c(s1)CCCC2	3176294	VQVPEUAQZBQEJR-RUZDIDTESA-N	423.305	5.670	50	40	HKGB	
C[C@H]1C/C(=N\NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)CC(C)(C)C1	13147074	UCSKEKJYZDOXDJ-IAJFOSCOSA-N	420.582	5.787	50	40	HKGB	
O=C(CSc1nc(/C=C/c2ccccc2)nc2ccccc12)N/N=C/c1ccccc1	13987907	QLAWJTNMFDIFHQ-DTFKVGRCSA-N	424.529	5.043	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c1C	59202040	SDKYDIIUXGQPMI-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408741326	LFNYFBMSNUXTES-LGJNPRDNSA-N	424.287	5.208	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408793463	PAYUHTYVKGMAAR-GZTJUZNOSA-N	422.843	5.309	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1Cc1cc(C)cc(C)c1	408865220	CCYZOHRTVDOWBW-AFUMVMLFSA-N	424.544	6.065	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1nc2ccccc2s1	4679336	FWRUFSCNWYUAKD-UKTHLTGXSA-N	406.850	5.972	50	40	HKGB	
CC(C)Oc1ccccc1/C=N/NC(=O)c1cc(-c2ccccc2)nc2ccccc12	6598735	OOTRLTAOVHHNJR-WPWMEQJKSA-N	409.489	5.453	50	40	HKGB	
C/C(=N\NC(=O)c1sc2ccccc2c1Cl)c1ccc(Br)cc1	12573275	KJJBUOUYHQQGTQ-KEBDBYFISA-N	407.720	5.471	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)Nc1ccccc1	16489370	LQTWEOHFMSZILL-MFKUBSTISA-N	415.884	5.348	50	40	HKGB	
Cc1cc(C)c(P(=O)(c2c(C)cc(C)cc2C)c2c(C)cc(C)cc2C)c(C)c1	102055616	UHSQMDMOSCIVON-UHFFFAOYSA-N	404.534	6.102	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(C(=O)O)o2)c2ccccc12)c1cccc(Cl)c1	408542060	JUMBJHKECYLZKW-YBEGLDIGSA-N	402.837	5.698	50	40	HKGB	
CCCOc1cc(OC)ccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)c(Cl)c1	408810013	OTZFUPZPHQGTRD-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
Cc1c(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc2n1Cc1ccccc1Cl	409192556	YQTYFTKXKCOBRJ-RGEXLXHISA-N	417.940	5.617	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(CCOc3ccccc3)c3ccccc23)cc1	409212841	RASLBTSHFGIGSY-FXBPSFAMSA-N	421.500	5.574	50	40	HKGB	
CCC[C@H](C)c1ccc(OCC(=O)N/N=C/c2cc(Br)c(C)s2)cc1	2728777	KRYKGYYOVJLSEZ-PUFAJPFRSA-N	423.376	5.252	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(F)cc1	8812048	LCZSPONHGLWBMU-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCc1ccccc1Cl	14134905	LALVQPZNAYZJKG-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
Cc1ccc(COc2cccc(/C=C(/C#N)c3ccc(Br)cc3)c2)cc1	408534011	UNNKMUFWIGWYMB-BKUYFWCQSA-N	404.307	6.401	50	40	HKGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCc2c(C)cc(C)cc2C)c(OC)c1	408797086	FTXDJRSAXWROLE-CIPMJJFUSA-N	406.526	5.021	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1C	408799188	GWVNRTDGUVVJKQ-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)C(=O)Nc1ccccc1F	408816086	IRTRPZXDJABNDD-HAHDFKILSA-N	422.459	6.104	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1-c1cccc(Cl)c1Cl	409193268	IBRJWIBVLYZBPR-WJDWOHSUSA-N	402.325	5.367	50	40	HKGB	
N#CC1=C(N)N(c2ccccc2)c2oc(-c3ccccc3)nc2[C@@H]1c1cccc(O)c1	1070255	IXIYUNJCTAECKN-OAQYLSRUSA-N	406.445	5.025	50	40	HKGB	
N#C/C(=C/c1cccc(Br)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13775385	VSZCEUHYWSQIGD-AUWJEWJLSA-N	412.268	5.545	50	40	HKGB	
N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)C[C@@H]1c1cccc2ccccc12	20238369	YWOWIZINHQIYBB-JOCHJYFZSA-N	411.530	5.055	50	40	HKGB	
N#C[C@@H](c1ccccc1OCc1ccccc1)N(C(=O)CCCCl)c1ccccc1	26895956	KCKSEFOJIWGQOX-QHCPKHFHSA-N	418.924	5.882	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(Cl)cc2)cc1	59266534	VIBOZCQXEOCGNX-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(-c4ccc(C(=O)O)c(Cl)c4)o3)[nH]c2cc1C	408766248	AUGIBZOPSJRQIL-DHDCSXOGSA-N	417.852	5.856	50	40	HKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)o1	408985698	XTYQWYOYXIZFQO-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)COc1cccc2ccccc12	409020303	NRUKCJSACPISLN-PKAZHMFMSA-N	412.489	5.311	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1	409021371	DQEMSDHNNALGDA-KSEXSDGBSA-N	423.812	5.327	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NCCCc3ccccc3)c2C)cc1C	409243147	ZCMORUQVRMVVFN-UQQQWYQISA-N	411.549	5.367	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	4680637	GOLKDGKLMMIZDI-QGOAFFKASA-N	420.553	5.932	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)c(C)cc1[N+](=O)[O-]	5024998	BVWSWXXFKZFPET-GXDHUFHOSA-N	410.430	5.151	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccccc1	6183598	SHALNQCZVAQLGZ-AKWGVZKHSA-N	418.500	5.324	50	40	HKGB	
CC(C)c1ccc([C@@H]2CC(=O)NC(SCc3cccc4ccccc34)=C2C#N)cc1	9012321	MUAJNWIXOJZRKD-QHCPKHFHSA-N	412.558	6.235	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(Oc3ccccc3)cc2)c1	20243966	SSRNDHASRQBQSM-MFKUBSTISA-N	404.535	5.479	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)c(C)c1	28216698	WWCQWYKMOURCCD-YNYZQSIGSA-N	419.594	5.483	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1)c1ccccc1	32561692	JZBKONRIJOEKSS-OSVNEOKWSA-N	400.453	5.189	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl	59117211	HWYUEZMYULVYCC-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)Sc2nc3ccccc3[nH]2)o1	408598659	HQPMLMAEIHQNPK-NTCAYCPXSA-N	401.447	5.266	50	40	HKGB	
C=CCc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1	408817712	NUNASRBIYAFIAT-PKAZHMFMSA-N	410.473	5.504	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2)c(Cl)c1)C(=O)Nc1ccc(F)cc1	408850239	JAMCTPWMXLFWBL-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	408892026	XJQQLUSQEKAIKW-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)N1CCCC1	409372887	RZOFKXOKZUNMKI-LICLKQGHSA-N	401.293	5.102	50	40	HKGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)C1	672469	DAEGUDVXADWEEG-NUIVBQGBSA-N	401.510	5.266	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccccc1Br	1453329	RHFGQKPAJFRRKK-SDNWHVSQSA-N	411.230	5.394	50	40	HKGB	
Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)cc1C	4550631	GBEAAFJOEBGKPY-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
CSc1ccc(/C=N/NC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)cc1	4699787	FOVNDEITYSIOLO-XIEYBQDHSA-N	417.534	5.004	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)c(C)c1	20195038	XJEIYYYBVSXOGG-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3F)cc2)c1	59198842	LSAFLMVMHVEQOL-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1C(C)C	59336093	JIVPKXZSSORCFL-DHDCSXOGSA-N	403.309	5.980	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)NCc1ccco1	59534037	FESKLIBWOWWFOY-PXLXIMEGSA-N	408.457	5.235	50	40	HKGB	
Br[C@@H]1[C@@H](SS[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2Br)[C@@H]2CC[C@@H]1C2	100695586	GDJQKRKZFGZASH-OKGBFWCWSA-N	412.256	5.492	50	40	HKGB	
N#C/C(=C/c1ccncc1)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1	102863911	ANXJNHJRJDHYIP-KAMYIIQDSA-N	404.476	5.176	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1Cl	408579931	LOAXZJBCHJMXSC-GZTJUZNOSA-N	414.719	7.290	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(OC)c(OC)c1	408583392	UGUXLZBJZIAJQM-MHWRWJLKSA-N	402.288	5.319	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)c1	408590916	RKIIFFUWQVZEBY-WPWMEQJKSA-N	401.554	5.393	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cccc(Cl)c1Cl	408873609	SZFOMPGFLXHCFN-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccccc2OCCOc2ccccc2)cc1	3268781	GMMNZBZJNAXCLS-ZXVVBBHZSA-N	416.521	5.206	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCc4ccccc4C3)c2C)c1C	4086956	KMGSZYYFCCBECN-MFKUBSTISA-N	409.533	5.203	50	40	HKGB	
Cc1c(/C=C(/C#N)c2ccccc2F)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	6265976	UEQOVZXVFZFVAN-RGEXLXHISA-N	411.436	6.110	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C[C@@H]4Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	104105645	RRUNQYYWDSEOKB-BSSQEQABSA-N	401.375	5.712	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)c1	208232151	DAGHOUJURRVORR-BEWREHSGSA-N	403.526	5.271	50	40	HKGB	
CN(CC#N)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)CCl)CC[C@]4(C)[C@@H]3CC[C@@]21C	253499562	JOKRPORJXQCDAP-VCKKJONNSA-N	421.025	5.004	50	40	HKGB	biogenic
Cc1cccc(Cn2cc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)c3ccccc32)c1	408567392	MIZBGWKSOQWWJV-UNOMPAQXSA-N	406.464	6.078	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1	408880360	INQCCTGPSKHCBE-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	409049511	XHVBYWAXEQJTLX-NTUHNPAUSA-N	405.668	5.204	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3ccc(C)c(Cl)c3)s2)cc1	954313	DFOXCIGSMNQBNV-RQZCQDPDSA-N	423.925	5.250	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)CCc3ccccc3)o2)cc1Br	14134448	JLIHTWUMSADYBO-OEAKJJBVSA-N	411.299	5.100	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(CSc2ccccc2)cc1	58928018	SKSTUCZCZZOZDQ-ZMOGYAJESA-N	415.345	6.050	50	40	HKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccco3)s2)o1	102863936	OMYSUHMQODKPJT-RAXLEYEMSA-N	407.476	5.683	50	40	HKGB	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	107834823	MUBIJDMTZQJUGF-SILNSSARSA-N	422.525	5.599	50	40	HKGB	
COc1ccccc1NC(=O)N/N=C\c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223516939	ASFCTJVHDXRWGL-YSMPRRRNSA-N	420.557	5.570	50	40	HKGB	
Cc1ccccc1-n1nc(C(=O)N/N=C/c2ccco2)cc1-c1ccc2ccccc2c1	408723963	BEPFHIBOVRBPIE-WPWMEQJKSA-N	420.472	5.358	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1	409189637	MBMUVHLLNTZPIX-WGOQTCKBSA-N	407.945	5.854	50	40	HKGB	
N#C/C(=C\c1cccc(Br)c1)C(=O)Nc1ccccc1Oc1ccccc1	3359529	UEKOPYIRUDTYBO-GHRIWEEISA-N	419.278	5.787	50	40	HKGB	
C/C(CC(C)C)=N\NC(=O)c1ccc(COc2ccccc2-c2ccccc2)cc1	5020026	JSKFQALEKFZFOS-NHFJDJAPSA-N	400.522	6.084	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)c2nc3ccc(C)cc3[nH]2)cc1Br	5609565	YAFOZPTUBIGPJQ-LFIBNONCSA-N	409.331	5.544	50	40	HKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)c1ccc(C(C)(C)C)cc1	100927716	XTEKLRRVNNZOMH-DHRITJCHSA-N	420.340	5.425	50	40	HKGB	
N#C/C(=C/c1cccn1-c1ccc(I)cc1)c1ccccc1F	108895772	OPVIKQZKJKJPEX-OWBHPGMISA-N	414.221	5.285	50	40	HKGB	
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)N(CCCl)N=O	118929739	SALYBQYJYPDVQY-YOJOXZLJSA-N	424.969	5.326	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc21	208249309	XCHYFLFVCVPLFK-ZGUVFNMESA-N	404.341	5.479	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)c1ccc(Cl)cc1Cl	408579883	LBDMTZKEQWAZKY-GZTJUZNOSA-N	421.302	7.200	50	40	HKGB	
CCCCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	408899097	ZALZYXVWETVGRQ-NBVRZTHBSA-N	423.469	5.108	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)cc1Cl	408989631	UPRJSFQFSHTIOJ-UNOMPAQXSA-N	420.871	5.912	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Nc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2	409003128	YFQGCWIVDHGAKO-AFUMVMLFSA-N	417.538	5.062	50	40	HKGB	
CCc1ccc([C@@H]2C(C#N)=C(N)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1	713492	FRYANFSEQFAWJR-XMMPIXPASA-N	411.549	5.498	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)ccc1OC(C)C	1453885	FAGDNXUYHSOVPS-RIYZIHGNSA-N	405.281	5.335	50	40	HKGB	
Cc1ccc(-c2ccc([C@@H]3NC(=O)C(C#N)=C(S)N3c3ccccc3)o2)cc1Cl	1454022	YDVSYXWEOMYECH-HXUWFJFHSA-N	421.909	5.208	50	40	HKGB	
N#C/C(=C\Nc1cccc(C(F)(F)F)c1)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	1835245	LZACABGMKALUNM-JLHYYAGUSA-N	416.384	5.714	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)c(Cl)c1	4749216	QXKHZEPPRUYSNN-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
CCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	9327493	JMJAJVGFYDNSHX-OQKWZONESA-N	423.541	6.852	50	40	HKGB	
Cc1ccccc1NC(=O)N/N=C\c1ccc(Sc2ccc(Cl)cc2)s1	35151686	IEGXJPXSLXNBSP-MTJSOVHGSA-N	401.944	6.017	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2-c2ccc(Br)cc2)cc1	59249009	GNUNKDLSBBRIFL-VKAVYKQESA-N	420.310	5.348	50	40	HKGB	
N#C/C(=C/Nc1ccccc1Cl)c1nc(-c2cc3ccccc3oc2=O)cs1	96024158	YMUICFKXVZOQCI-KAMYIIQDSA-N	405.866	5.546	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@H](Br)C2=O	100492677	VOVBTBDAIMOLGY-CSMYWGQOSA-N	419.146	5.091	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2c(F)cccc2Cl)cc1)c1ccc(Cl)cc1	408600578	DRGOLLOXCNBMRN-ROTLSHHCSA-N	417.267	5.475	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2C#N)cc1)C(=O)Nc1ccc(Cl)cc1	408746373	SESNJWUFFAOMDF-MOSHPQCFSA-N	413.864	5.336	50	40	HKGB	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408818150	NDDDROZKBYFUPF-UNOMPAQXSA-N	420.553	5.219	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1	408872202	BAUDFYJHXAGCPM-HYARGMPZSA-N	411.461	5.348	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1	408880265	HABRYYZSCOKMKP-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	1190012	IONWHAMMKCSNOC-JLHYYAGUSA-N	413.260	5.808	50	40	HKGB	
COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	1805720	OMNOQFYOXAQCSP-LFIBNONCSA-N	422.893	5.401	50	40	HKGB	
C=C(C)C(=O)O[C@@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@H]2CC[C@]1(C)C2(C)C	2104148	LTVYYZVESNBABP-WVQWTBLQSA-N	404.591	6.000	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/Nc3ccccc3C(F)(F)F)n2)cc1	2202706	VETSDXAMWRZBQB-SDNWHVSQSA-N	401.413	5.814	50	40	HKGB	
O[C@H](CCl)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1	2372166	YDRSBKJFUPCMJG-OAQYLSRUSA-N	420.965	5.898	50	40	HKGB	
CC1(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)SCCS1	6348153	LWHFPMVLTGJLQE-KEBDBYFISA-N	415.367	5.290	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cccc2ccccc12	6410882	JEKIZUOAIGCTLM-NBVRZTHBSA-N	409.401	5.554	50	40	HKGB	
CSc1ccc([C@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1	6454185	UIGSMLRCGQGYIY-QGZVFWFLSA-N	400.956	5.334	50	40	HKGB	
CC1=C(/C=C\C(C)=C\C=C/C(C)=C\C=N/NC(=O)c2ccncc2)C(C)(C)CCC1	17325372	VOUCNJZICKBIMN-IKALXMLZSA-N	403.570	6.329	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccccc1Cl)c1nc2ccccc2[nH]1	59145744	HYZMCPVKRKMTIT-GZTJUZNOSA-N	420.299	6.513	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1	100722943	DPYLGARBOGVPNZ-LTGZKZEYSA-N	409.514	6.462	50	40	HKGB	
O=[N+]([O-])c1ccc(N=P(c2ccccc2)(c2ccccc2)N2CCCCC2)cc1	102131558	ONIXSHNUWKVSEF-UHFFFAOYSA-N	405.438	5.479	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc21	223501794	ZWYFMPLYFZAHRY-VULFUBBASA-N	409.961	5.823	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c(Br)cc1O	408542295	IFRPSFIOVBNTNF-AUWJEWJLSA-N	412.287	5.111	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccccc2Cl)c1C	408587164	RKSKAHYOECTJDQ-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccccc2F)c2ccccc12)c1cc2ccccc2o1	408850906	GFIIJRYRHDAJKG-VYYCAZPPSA-N	411.436	5.339	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	408894692	KNJSZAVWPCUAKU-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
C=CCn1c(C)c(/C=N\NC(=O)c2cc3cc(OCC)ccc3o2)c2ccccc21	409186502	CXMILZRLHVXGOG-MYYYXRDXSA-N	401.466	5.045	50	40	HKGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2ccc(Cl)cc2Cl)s1	939441	CXWYQPALMSUKRU-KPKJPENVSA-N	420.346	5.648	50	40	HKGB	
N#C/C(=C\c1ccc(-c2nc3ccccc3s2)o1)c1nc(-c2ccccc2)cs1	5234453	GQVCQPJCBCDGEF-FOWTUZBSSA-N	411.511	6.744	50	40	HKGB	
CC(C)c1ccc(-c2cc(C(=O)N/N=C/[C@@H](C)c3ccccc3)c3ccccc3n2)cc1	5727525	BXNXQSXBLVMQEL-CJHIPLPSSA-N	421.544	6.545	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	10475948	FQBPZOOLSCCJFW-WGOQTCKBSA-N	422.912	5.011	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1O	13739165	KIZOSNLVAMIZOD-BKUYFWCQSA-N	410.498	6.255	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)cc([N+](=O)[O-])c1O	36056546	GBPFUWUPMZMCJU-FRKPEAEDSA-N	407.451	5.114	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1Cl	59233138	OQAPFUACIRSSOM-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
c1ccc(P(=Nc2cccc3cccnc23)(c2ccccc2)c2ccccc2)cc1	98006396	XZXPXSDTYYNSOE-UHFFFAOYSA-N	404.453	6.044	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	408538187	KANGNJZBRGCXGW-QGOAFFKASA-N	412.917	5.853	50	40	HKGB	
CCOC(=O)c1cccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)c1	408599682	YJWAUPLZBGNIMV-WGOQTCKBSA-N	418.493	5.185	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)cc1Cl	408733872	BPPDSEZDUFMZGT-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccccc1F	408811596	MRDZEVGCUWFSCG-AQTBWJFISA-N	413.427	5.513	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2)cc(C)c1OCc1ccc(F)cc1	408843361	DVEAPJBYJXXKGO-LGJNPRDNSA-N	410.876	5.439	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408921815	CFHCPSLJKXGAOO-LDADJPATSA-N	407.876	5.741	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12)c1ccccc1	409203444	XZHVVMXAFLNMBU-QRQIAZFYSA-N	403.485	5.607	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	409217505	WIDXZGGOMUHFLN-UYRXBGFRSA-N	401.378	5.146	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C\c2ccccc2OCc2cccc(Cl)c2)c1	409366319	UHRZFMXSZIZMLE-YSMPRRRNSA-N	406.913	5.229	50	40	HKGB	
O=C(Nc1cccc(Cl)c1)[C@H](Br)[C@@H](Br)c1ccccc1	1739479	PVVQMBDHWZJODW-UONOGXRCSA-N	417.528	5.178	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	2774053	OBECDRWTIRPVNN-SDNWHVSQSA-N	407.813	5.362	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2F)c1	59535626	MVMYHQVGVZQREH-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C(C)C)cc3)o2)cc1Cl	252502851	UVMQVGBFNYBNON-LDADJPATSA-N	420.896	6.278	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2cc(Br)cc(Br)c2OC)cc1	408580149	ALURPUAYDFIMAQ-NTUHNPAUSA-N	423.104	5.293	50	40	HKGB	
COc1cc(OC)c(/C=C(/C#N)c2ccc(Cl)c(Cl)c2)cc1Br	408585176	CDRYINBLOLZHAR-XGICHPGQSA-N	413.098	5.837	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccc(Br)cc1	408787288	WPBQEFQGXIVHJA-KAMYIIQDSA-N	422.307	6.134	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1ccc(O)cc1	408788838	MITSRRIZFOIMJP-QGOAFFKASA-N	411.436	5.080	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Cl	409047159	NDXTZAGMDHJEMR-MDWZMJQESA-N	409.700	5.981	50	40	HKGB	
Cc1ccccc1OCCCOc1ccc(Cl)cc1/C=N/NC(=O)c1ccccc1	13896971	GKGKQALTKHKAEO-YZSQISJMSA-N	422.912	5.260	50	40	HKGB	
COC(=O)C1=C(C)NC(SCc2ccc(Cl)cc2)=C(C#N)[C@H]1c1cccs1	19597272	UCIVQUFFODOHGU-SFHVURJKSA-N	416.955	5.204	50	40	HKGB	
CCc1cccc2c(/C=C(\C#N)c3nc(O)c4cc(Br)ccc4n3)c[nH]c12	43782814	WWOVOVSMSNGVGU-MDWZMJQESA-N	419.282	5.206	50	40	HKGB	
CC(C)C[C@@H]1C(C#N)=C(SCC(=O)c2ccc3ccccc3c2)N[C@@H]2CCCC[C@@H]12	253433668	DGDGRJOBRCHBBS-WPFOTENUSA-N	418.606	6.315	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(F)cc1	408565784	AJVCGDQJOKHTCF-YVLHZVERSA-N	417.415	5.493	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc([N+](=O)[O-])c2)c1C	408769631	XTHFDTPASKWJBA-MOSHPQCFSA-N	414.465	5.110	50	40	HKGB	
Cc1ccc(C(=O)Oc2cccc(/C=N/NC(=O)c3cccc4ccccc34)c2)cc1	408888408	VEXRFYIEBHHEHD-WPWMEQJKSA-N	408.457	5.131	50	40	HKGB	
N#CC1=C(SCc2ccc3ccccc3c2)NC(=O)C[C@H]1c1ccc(Cl)cc1	6496715	OMKRNZMHGWRQPD-FQEVSTJZSA-N	404.922	5.765	50	40	HKGB	
C/C(=N\NC(=O)c1cccc(N(C)C)c1)c1ccc2c(c1)Nc1ccccc1S2	6580836	OFSSSGYVBFTQPQ-MFKUBSTISA-N	402.523	5.115	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1F)C(=O)Nc1ccc(Cl)cc1	17087518	SBXRBUKYLCDVSR-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CN1CC2=C(OC(N)=C(C#N)[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1	20528769	DHIUFUCBEFTKTJ-IGEMGIOYSA-N	424.331	5.084	50	40	HKGB	
Cc1ccc(C(=O)/N=C2/C(Cl)=C(Cl)C(=O)[C@@](Cl)(C(C)(C)C)[C@H]2Cl)cc1	26787303	VLLAYAKXNFZRRZ-WUFXRKNJSA-N	421.151	5.479	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)CSCc2ccccc2)c1C	28215797	RPHCUNNDPCFGMM-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
CCCCCCCCCCCCOc1ccc(/C=N/NC(=O)C2CCCCC2)cc1	100845966	MJKGPEHWYYWNMM-HPNDGRJYSA-N	414.634	7.017	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)[nH]c2cc1C	408544270	UQWQPFNXSRLJTP-UDWIEESQSA-N	424.460	5.731	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1OC	408582366	NEFODXWHGNIMOM-LFVJCYFKSA-N	421.496	6.500	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)c3ccccc32)cc1	408788836	MIFSHSNNBSMCPN-HZHRSRAPSA-N	419.528	6.161	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)Nc1ccccc1Cl	408935562	HWGXAMJZOULXDK-PDGQHHTCSA-N	423.299	6.118	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)c1C	408968332	VNLFKDQWVFQNFV-VULFUBBASA-N	419.912	5.820	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccc(Sc4ccc(Cl)cc4)s3)[nH]c2c1	409017606	MUMFFKXSNIYJJN-KAMYIIQDSA-N	407.951	6.802	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(OCC)c1OCCC	409075934	VUTRITVUVQCPAC-XMHGGMMESA-N	408.473	5.287	50	40	HKGB	
Cc1cccc(C2(c3cccc(C)c3)C[C@@H]2C(=O)N/N=C/c2ccc(Cl)cc2)c1	3080541	AJQPWVFNVCTODS-PVPASAESSA-N	402.925	5.413	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4719803	IIBUWZNCIKUHBQ-PJIZFRNJSA-N	400.522	5.400	50	40	HKGB	
N#C/C(=C\c1ccc2noc(-c3ccccc3)c2c1)c1nc(-c2cccs2)cs1	5235400	HPRQKPUBJIIIEG-GZTJUZNOSA-N	411.511	6.744	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1sc2c(c1C#N)CCCC2	39992738	KNIJCMKGQOWVJM-RVDMUPIBSA-N	417.465	5.443	50	40	HKGB	
C[C@H](OC(=O)/C(C#N)=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl	96838178	RJBHDGQLMRSWEZ-LFTLCWSBSA-N	423.683	5.124	50	40	HKGB	
ClCCN(CCCl)c1ccc(/C=N\Nc2ccnc3cc(Cl)ccc23)cc1	104208373	FOMASLNRGGCNQQ-QFEZKATASA-N	421.759	5.618	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Br)cc2)c1)c1cccc(C#N)c1	408568370	SYFUOCKVNAZLQH-NHDPSOOVSA-N	415.290	5.964	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)cc1	408744993	OPJZRVMCBMWUPR-DTQAZKPQSA-N	417.421	5.108	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(-c4cccc(Cl)c4)o3)cc2c1	409187089	LVVRJXLQANYWPE-CFRMEGHHSA-N	408.841	5.509	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2ccc(F)cc2)c1OCc1ccc(C(=O)O)cc1	409187126	MLBPDNRHIBDQIC-MOSHPQCFSA-N	403.409	5.176	50	40	HKGB	
C[C@H](P)[C@H]1CCC[C@H]1P(c1cccc2ccccc12)c1cccc2ccccc12	585656278	FJSLNVSKVUMXRX-UWUFEASWSA-N	414.469	6.858	50	40	HKGB	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccccc1Oc1ccccc1	3253699	KYAHHLPEZBAMKD-SAPNQHFASA-N	408.379	6.043	50	40	HKGB	
CC(C)Oc1ccccc1[C@H]1[C@@H]2C[C@H](C(C)(C)C)CC=C2C(C#N)=C(N)C1(C#N)C#N	19852908	GEUHUDVJUZWHCY-LLBVYWAGSA-N	414.553	5.340	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2cccc(OCc3cccc4ccccc34)c2)cc1	26123862	ZYFSJFTUSOUYHZ-MTDXEUNCSA-N	424.500	5.581	50	40	HKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1	59474274	SJXVXCBFTFDOPJ-PCLIKHOPSA-N	424.953	5.795	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)Cc3cccc4ccccc34)cc2C(C)=CC1(C)C	208506537	BEYULWVOBVFJRW-MTDXEUNCSA-N	411.549	5.554	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=N/NC(=O)C(c1ccccc1)c1ccccc1	408809681	IOEFRBIPPPXSOW-ZTKZIYFRSA-N	418.496	5.134	50	40	HKGB	
CCOc1cc(Br)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	408870264	WBPQTRGWJJYCOY-AWNIVKPZSA-N	405.679	5.047	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc3ccccc3c2)c(F)c1	408966286	LECTXBUALQKTMF-MUFRIFMGSA-N	423.447	5.193	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Cl	409015753	FBRKKLCGJQEDCD-RMORIDSASA-N	423.683	5.722	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1)c1ccccc1	409044492	VKUCPUCCBZNXKE-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)Cc1ccc(C(C)(C)C)cc1	409258305	WDLUHWIHHGHSSP-OVVQPSECSA-N	402.538	5.619	50	40	HKGB	
N#C/C(=C\c1cccs1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	1454137	YDBFKMJTBBPBJM-XYOKQWHBSA-N	420.346	5.648	50	40	HKGB	
N#CC1=C(N)OC2=C(C(=O)C[C@H](c3cccc(Cl)c3)C2)[C@@H]1c1ccc(Cl)cc1	2277077	MUFRDFAWCLSHJZ-VBKZILBWSA-N	411.288	5.202	50	40	HKGB	
O=C(CNc1ccc2ccccc2c1)N/N=C/c1ccc(-c2ccccc2Cl)o1	2304608	CHGDDDPVYQDWJO-VULFUBBASA-N	403.869	5.315	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3C)n2)cc1	6421331	DZFHZZBOHZYXNA-LFIBNONCSA-N	410.340	6.166	50	40	HKGB	
COc1ccc2[nH]c(/C(C#N)=C/c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)nc2c1	9263638	KGVPAKNTANTQMS-MDWZMJQESA-N	419.824	5.247	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1	35190871	OPNUKSIDTKWQIY-HMAPJEAMSA-N	414.461	5.945	50	40	HKGB	
CC(C)(C)C(=O)NC(C#N)=C(Sc1ccc(F)cc1)Sc1ccc(F)cc1	80344519	JZDCVHOTRFJBQY-UHFFFAOYSA-N	404.507	5.704	50	40	HKGB	
O=C1C=C(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21	100018488	BMLASUAECQVNBK-UHFFFAOYSA-N	405.437	5.402	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C[C@H]3C)c1	208243319	NTEBENLKVPLGBP-GESOSKEOSA-N	423.944	5.616	50	40	HKGB	
COC(=O)c1cccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)c1	408599124	OYUMWWPPRNJKHT-SFQUDFHCSA-N	401.447	5.266	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1	408772714	QQAXDGAMOHMPLP-YBEGLDIGSA-N	401.724	7.119	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1	408786271	NTNOGBLAAOFSNE-WJDWOHSUSA-N	420.852	5.406	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(OC(C)C)c(Br)c3)[nH]c2c1	409392787	RWDJZNMUAYYHPO-ZSOIEALJSA-N	412.287	5.185	50	40	HKGB	
CC1=C(C)SC(=C(C#N)c2nc(-c3ccc(Br)cc3)cs2)S1	3176503	ZAKQPGKVKHREFY-UHFFFAOYSA-N	407.383	6.496	50	40	HKGB	
Cn1c(/C=C(\C#N)c2nc(O)c3ccccc3n2)ccc1-c1cccc(C(F)(F)F)c1	11690318	IBAYTCSVFYIGGA-NTCAYCPXSA-N	420.394	5.424	50	40	HKGB	
CCOC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(Cl)cc3)o2)c1	13764732	HFHATXYLROXXKU-LGMDPLHJSA-N	420.852	5.322	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c(C)c1	28217426	LXFISDFJTNNZRS-WYMPLXKRSA-N	424.888	5.036	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	59117050	OGYPJCFTDLQENF-NTEUORMPSA-N	419.706	5.437	50	40	HKGB	
Cn1c(/C(C#N)=C/c2cc(Cl)ccc2OCc2cccnc2)nc2ccccc21	97040506	JANUTRHCIYNLFL-WOJGMQOQSA-N	400.869	5.265	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(F)c2)cc1	207151496	XEEZLUGACQZTLY-HMMYKYKNSA-N	416.452	5.349	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)cc21	208475745	SYXXYYZSCMIYKP-GRSHGNNSSA-N	419.956	6.134	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1	408541322	FXMWNSZDKQICFL-JAIQZWGSSA-N	419.864	5.690	50	40	HKGB	
N#C/C(=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12)c1ccc(C(=O)O)cc1	408544088	RTOKXKGVILAORB-MOSHPQCFSA-N	423.428	5.360	50	40	HKGB	
N#C/C(=C\c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccc(Cl)cc1	408580604	PWWYDDBKNBLGGT-RCCKNPSSSA-N	413.879	7.275	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)cc1Cl	408769461	VMIODVUPONPIPO-JYRVWZFOSA-N	405.679	5.047	50	40	HKGB	
Cc1ccc(COc2cccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2)cc1	408879001	CEEVKILBXWXNLW-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)COc2c(C)cccc2C)c2ccccc12	408916105	UUXUIKKMHBYAOI-WGOQTCKBSA-N	404.510	5.165	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c(C)n1-c1ccccc1	408925185	QJVJABNGVZPNJN-GZTJUZNOSA-N	410.304	5.947	50	40	HKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1)c1ccccc1	409378329	NYMQEDMZKGVRRS-LDADJPATSA-N	406.844	5.561	50	40	HKGB	
O=C(N/C(=C/c1ccccc1)P(=O)(c1ccccc1)c1ccccc1)c1ccccc1	1877855	LILCGMGSHPBBSD-QLYXXIJNSA-N	423.452	5.429	50	40	HKGB	
C[C@@H]1C[C@@H](N[C@@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1	3083164	RTTSRQHDBYZLNL-DNRQZRRGSA-N	421.521	6.097	50	40	HKGB	
N#CS[C@H](C(=O)c1cccc2ccccc12)[C@H](Nc1ccccc1)c1ccccc1	5338481	AFMVJKSMTPBTCH-RSXGOPAZSA-N	408.526	6.459	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc(F)cc1)C(=O)Nc1ccccc1Cl	59117216	HGBLSDQQGJFMSM-QGOAFFKASA-N	406.844	5.604	50	40	HKGB	
CCCCCCCCCCC(=O)N/N=C/c1ccc(OCc2ccccc2)c(OC)c1	97944596	AMQUMFFPSIIZPR-NHFJDJAPSA-N	424.585	6.255	50	40	HKGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1	113833477	FFWBGVCGXQDCGW-NVNXTCNLSA-N	406.265	5.051	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)o2)c(C)c1	408744324	DXRRRJNLYYRUQQ-VBKFSLOCSA-N	420.852	5.241	50	40	HKGB	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Br)c1	408756533	VYXBSKKKVFVXTQ-RVDMUPIBSA-N	407.267	5.157	50	40	HKGB	
CCOc1ccc2nc(Sc3ccc(C=C(C#N)C#N)cc3[N+](=O)[O-])sc2c1	408993571	WHSUBBUHVHUMTL-UHFFFAOYSA-N	408.464	5.185	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(OCC)c1OCCC	409073768	IJPBJBGMMPNWIC-CPNJWEJPSA-N	424.928	5.802	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2)ccc1OCc1ccc(Br)cc1	409365090	PVYFLKCQUXGAEK-MOSHPQCFSA-N	420.306	6.101	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C	627260079	LHVAJZMYZDQMQT-GGSIGRBKSA-N	407.126	8.715	50	40	HKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	3034257	RFISMRRLPIQXJK-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
N#CC1=C(S)N(c2ccccc2)[C@@H](c2ccc(-c3ccccc3Cl)o2)N=C1O	9089732	DFCXUASQWBOJMQ-IBGZPJMESA-N	407.882	5.740	50	40	HKGB	
O=C(Cc1cccc2ccccc12)N/N=C/c1ccc(Sc2ccc(Cl)cc2)o1	59517290	ODBWRRKVRRVXHA-MFKUBSTISA-N	420.921	5.930	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2cc1C	110117803	IZKGKGIHAWTDSV-WQRHYEAKSA-N	401.554	6.545	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)[C@H](C)CC(C)(C)N2C	208193178	DTEJBUNFGVADSU-JQFNYASXSA-N	407.945	5.916	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)cc1	208207431	STYJXDZZJIXCST-MCRQTXEHSA-N	403.526	5.353	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)c1ccc(Br)cc1)[C@@H](C)CC(C)(C)N2C	208234573	OCGCGAXXORDXBG-YLRSXTQRSA-N	409.371	6.544	50	40	HKGB	
CC1=CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc21	208442939	NCGVVYWZNCJVMZ-LGJNPRDNSA-N	401.432	5.101	50	40	HKGB	
COc1ccc(/C=N\NC(=O)Nc2ccc(Br)c(C)c2)c2ccccc12	408904723	NPLAIQJHFZAYAB-UUYOSTAYSA-N	412.287	5.075	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1cccc(C(F)(F)F)c1	408936622	PJCGVVRJVVKGRE-LGMDPLHJSA-N	409.411	5.604	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408985706	XWRMNVLQXOYOFM-NVNXTCNLSA-N	417.292	5.421	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccccc3)c2C)cc1Cl	409067732	ZEVYVHRKMRWNLY-LDADJPATSA-N	405.885	5.302	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1cccc2ccccc12	409245010	MBYDGCWYAWYSDM-JTOYMXJDSA-N	419.528	6.032	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409393249	WLDLCWJDFJPMTL-PBTLCFMXSA-N	411.889	5.475	50	40	HKGB	
O=C(Nc1cccc(Cl)c1)[C@@H](Br)[C@@H](Br)c1ccccc1	1739473	PVVQMBDHWZJODW-KBPBESRZSA-N	417.528	5.178	50	40	HKGB	
CC1=CC(=C(C#N)c2nc3ccccc3s2)C=C(C)N1c1ccc(C)c(Cl)c1	3170357	JGCYDKFLCFLUBX-UHFFFAOYSA-N	403.938	6.863	50	40	HKGB	
O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc(-c2ccccc2)nc2ccccc12	33350931	SORSNIYUDFZQOE-MBTHVWNTSA-N	419.406	5.685	50	40	HKGB	
CCCCCCCCCCCCCC[C@H](I)CC(F)(F)F	103528498	XMPYPMDIVWDWQD-INIZCTEOSA-N	420.341	7.834	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3cc1O)[C@H](C)CC(C)(C)N2C	208210856	AILICFFWESTNHW-VSWHYLHOSA-N	415.537	5.340	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)cc21	208475788	QFFWREOOJYQGGN-GRSHGNNSSA-N	419.956	6.134	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccc(OCCOc4ccccc4)cc3)[nH]c2cc1C	408545130	YVROLELBKDXKIM-LTGZKZEYSA-N	409.489	5.702	50	40	HKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(\C#N)c3ccc(Cl)cc3)c2)cc1	408581114	USWHKZHHBRWDFB-DEDYPNTBSA-N	402.881	5.730	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c1	408879887	FWYYVSOAATXFLV-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1cccc2ccccc12	408893598	GFYSOSDGQZFNHD-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(C)cc(C)c3)cc2)cc1	408895926	OKVJCUSMYYLROX-PXLXIMEGSA-N	412.489	5.437	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	409112729	CGUWKUMFQMBZEC-MFKUBSTISA-N	409.530	5.174	50	40	HKGB	
O=C1c2ccccc2SC[C@]1(Br)[C@@H](Br)c1ccccc1	3138104	IHBUJLFYGZHNCO-HOCLYGCPSA-N	412.146	5.245	50	40	HKGB	
Cc1cccc(COc2ccc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)cc2)c1	4722855	XGFJVILPMFMOHJ-XYGWBWBKSA-N	418.496	6.273	50	40	HKGB	
CCC1CCC(=NNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1	5950932	DXHHOZDPFSCVRS-UHFFFAOYSA-N	405.929	6.241	50	40	HKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	33384017	GXKIOKCQISQYMT-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
Cc1cccc(C)c1NC(=O)[C@H](C)SS[C@H](C)C(=O)Nc1c(C)cccc1C	58005387	JFYZNBLYDQAWLX-HDICACEKSA-N	416.612	5.656	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc(Br)cc2)cs1	90427177	PTCULPMKQHQHCA-XFXZXTDPSA-N	418.266	5.827	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C)[C@@H](C)CC(C)(C)N2C	208210126	SYEADQRMSMKGAV-UMUMUWHJSA-N	401.554	5.880	50	40	HKGB	
O=C(N/N=C\c1ccc(OCc2ccccc2F)cc1)c1cc2cc(Cl)ccc2o1	409019858	YYCDERIUOVGOGH-ZMFRSBBQSA-N	422.843	5.568	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1	409127725	RBWPDOPDGKGYPR-YNYZQSIGSA-N	419.594	5.650	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C\c1ccccc1Sc1ccccc1	409212996	NUDWJGNLWKZZFU-UCQKPKSFSA-N	412.967	5.734	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)c2nc3ccc(OC)cc3[nH]2)cc1OC	409393248	WLDLCWJDFJPMTL-ATDKOCKZSA-N	411.889	5.475	50	40	HKGB	
CC(/C=C/c1ccc2c(c1)OCO2)=N/NC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4724541	RFZSEVOBOGHIBK-JRKWGNLKSA-N	404.510	5.022	50	40	HKGB	
Cc1cc(C(=O)/C(C#N)=C\c2ccc(Cl)cc2Cl)c(C)n1-c1ccccc1F	5570638	BBRFYGUZOZZDBP-YBEGLDIGSA-N	413.279	6.330	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3Cl)c2)cc1	209280347	FUCJCZYVVVGISP-UYRXBGFRSA-N	418.880	5.473	50	40	HKGB	
Br[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1SS[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Br	217400297	GDJQKRKZFGZASH-VLUIMUIKSA-N	412.256	5.492	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)cc1	223548973	QTTCBIYJJAFBLM-UOIFGXKSSA-N	401.554	6.041	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)cc2[C@H](C)CC1(C)C	260565380	IJBNBRQQGFWZJR-UEXNTNOUSA-N	405.517	5.872	50	40	HKGB	
CCCCCCOc1ccc(Br)cc1/C=N\NC(=O)c1ccccc1	408539981	LHTGEAXKKPVTOD-JCMHNJIXSA-N	403.320	5.172	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3ccc4ccccc4c3)o2)cc1	408550123	DUXDMGRJGWSLQT-BWAHOGKJSA-N	421.496	7.121	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1ccc(F)cc1	939710	DHNGOPXUBOFUCJ-SDNWHVSQSA-N	400.331	5.650	50	40	HKGB	
CCc1ccc([C@H]2C(C#N)=C(N)Oc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c32)cc1	5489504	UBWBDFHPXWOSDJ-KRWDZBQOSA-N	411.292	5.164	50	40	HKGB	
O=C(CCc1ccccc1)N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12	7093896	BIROLWGWMNNOHF-JVWAILMASA-N	415.924	5.426	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)C(=O)NC1CCCCC1	59297302	SQBWJFCFZWUSQB-XMHGGMMESA-N	417.940	5.699	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(SCC(=O)c3ccc(F)cc3)NC3=C2CCCC3)o1	63805040	HKPKQHSZMJZDAM-JOCHJYFZSA-N	408.498	5.593	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1	408893210	GBLJFEUFBUQHDW-CPNJWEJPSA-N	416.864	5.413	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=N/NC(=O)c3ccc(C)cc3Cl)c2c1	409052454	SUCUHCDECDWOGP-AFUMVMLFSA-N	410.901	5.363	50	40	HKGB	
CC(C)c1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(Oc3ccccc3)c2)cc1	2582127	RCUJWLVLSBLYQH-LFVJCYFKSA-N	403.503	5.941	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c(C)n1-c1ccc(Cl)cc1	28216417	KEBFTALKUYJSEO-PTZPRWATSA-N	411.958	5.378	50	40	HKGB	
Cc1cc(/C=N\NC(=O)C(c2ccccc2)c2ccccc2)c(C)n1-c1ccccc1	33343465	TYOIKMCGCZNONN-USHMODERSA-N	407.517	5.376	50	40	HKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3cccc(Cl)c3)sc2c1Cl	408964103	NVCVLHHZNDWYEA-WNFQYIGGSA-N	413.713	5.634	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)COc3ccccc3Cl)o2)cc1Cl	3034235	ZMVRTHDQJNCISC-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
CCOc1ccc(-c2cc(C(=O)N/N=C(\C)c3ccccc3)c3ccccc3n2)cc1	4651562	BPXWFZBAPNALTR-MTDXEUNCSA-N	409.489	5.455	50	40	HKGB	
CC[C@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)cc1OC	6168448	ANOISKWYYYVEDP-CIKBWMHTSA-N	414.889	5.080	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)cc1[N+](=O)[O-])c1nc(-c2ccc(Cl)cc2)cs1	6863405	NNBCUIXGMGSXJD-FMIVXFBMSA-N	400.822	5.487	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc(Cl)cc2)ccc1OCc1ccc(C(=O)O)cc1	15228599	MWYHYDJLOMSNLS-UDWIEESQSA-N	419.864	5.690	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(=O)OC(C)C)cc3)n2)cc1	17051795	GOMQRAKPNUJQGD-CPNJWEJPSA-N	403.507	5.660	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c1C	408599744	JYXUJEWZOAEZLE-JFLMPSFJSA-N	421.972	6.117	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)Cn1cnc2ccccc21	408691653	KLZACMJYCRTATG-ZROIWOOFSA-N	404.813	5.465	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc3ccccc23)c1C	408960828	OLVVKDWNUAZBJR-OGLMXYFKSA-N	409.533	5.882	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c1	409238851	MDTORJPTPCNZKY-OEAKJJBVSA-N	423.491	5.991	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Cc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl	409244733	IACXJNSIGIJIOG-ROTLSHHCSA-N	418.299	5.233	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(N)Oc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1	677978	NBVAWHBZDYVMIT-QFIPXVFZSA-N	404.473	5.066	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)cc1C	1061838	RPXKSYYBKWLNRG-GZTJUZNOSA-N	401.422	5.326	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1c(C)n(Cc2ccccc2Cl)c2ccccc12	9201267	TXBYRYQTKCOHQF-JFLMPSFJSA-N	415.924	5.724	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1	59425756	MPKRXALISKFRLU-FOKLQQMPSA-N	403.265	5.238	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208208583	VLNCQXLRXSJQEB-ZQZJVFIWSA-N	415.537	5.091	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccc(C)cc1	408566941	BSVFMQNYZVASJM-ODLFYWEKSA-N	413.452	5.662	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc3ccccc23)c(C)n1-c1ccccc1Cl	408588797	JSDHNWKBQQRYSI-CVKSISIWSA-N	401.897	5.665	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccccc1Cl	408590304	OSRFULFMBWQMPO-LGJNPRDNSA-N	405.860	5.246	50	40	HKGB	
Cc1cc(/C=C(/C#N)Cn2cnc3ccccc32)c(C)n1-c1ccc(Cl)c(Cl)c1	408691533	CILMVFYPAIQGIG-YVLHZVERSA-N	421.331	6.358	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)s2)cc1	409024310	QBOZPDVHBGZUMF-SSZFMOIBSA-N	424.978	6.661	50	40	HKGB	
C#CCOc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	409044811	DKDWRBPKWSMVFC-MDWZMJQESA-N	405.668	5.204	50	40	HKGB	
Cc1c(Cl)cccc1N1C(N)=C(C#N)[C@@H](c2cccs2)C2=C1CC(C)(C)CC2=O	713596	KQXBYFZBVNXTQD-FQEVSTJZSA-N	423.969	5.651	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1)[C@H](O)c1ccccc1	1249491	NRCCFYYSNQDBIS-ZICLHRSZSA-N	423.683	5.091	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccccc2/C=C(\C#N)c2ccc(Cl)cc2)cc1	2849372	VWTYOQAIOMHQNR-XSFVSMFZSA-N	402.881	5.730	50	40	HKGB	
N#C/C(=C1/SC=C(c2ccccc2)N1c1ccccc1)c1nnc2n1CCCCC2	3180751	SAHVMBJXKGQIRI-GFMRDNFCSA-N	411.534	5.449	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccccc1C#N	6381111	DHFGPBRJSGKPPS-WGARJPEWSA-N	416.480	6.363	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1c[nH]c2ccc(Br)cc12	9263103	WJUWGGQWGDLOGY-KPKJPENVSA-N	414.690	5.438	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=C(\C#N)c3nc(-c4ccccc4)cs3)s2)cc1	36636020	MVDOGAPPPFPPNX-QGOAFFKASA-N	416.596	7.395	50	40	HKGB	
COc1ccc(/C(C)=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	59473756	OINYHIFJWGITPV-XIEYBQDHSA-N	404.535	5.283	50	40	HKGB	
Cc1ccc([C@H]2C(C#N)=C(SCc3ccc(Cl)cc3)N=C3CCCC(O)=C32)cc1	102612648	WXPARORBETWNCN-QFIPXVFZSA-N	420.965	6.851	50	40	HKGB	
CCN(CC)C1=NP(c2ccccc2)(c2ccccc2)=NC(c2ccccc2)=C1C#N	103399226	QCBMRHNRJXRAKT-UHFFFAOYSA-N	424.488	5.442	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=N\NC(=O)Cc1ccccc1	107916227	SKVQHVVPTUJJCP-BWAHOGKJSA-N	400.950	5.772	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2C(C)=CC1(C)C	208503278	DYULPTDPWBJBMW-PDGQHHTCSA-N	405.929	5.907	50	40	HKGB	
CC(C)[Si](OC1=CCC[C@@H]2NC(=O)[C@H](Cc3ccccc3)[C@@]12C)(C(C)C)C(C)C	263602206	MAEFGDXAOKXWIQ-WRALFONMSA-N	413.678	6.220	50	40	HKGB	
CCCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	408527898	DCCOZJQLWPGTBR-SFQUDFHCSA-N	413.315	5.482	50	40	HKGB	
COC(=O)c1ccc(C)c(-c2ccc(/C=C(/C#N)c3nc4ccc(F)cc4[nH]3)o2)c1	408569908	QXORAHUBNZBHIN-DHDCSXOGSA-N	401.397	5.121	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1Cc1cccc(F)c1	408865859	GBKKODSULCCMRD-HYARGMPZSA-N	414.480	5.669	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)cc1)C(=O)Nc1cccc(C(F)(F)F)c1	408879755	FINXIPBYBQYVRT-CPNJWEJPSA-N	424.397	5.981	50	40	HKGB	
N#C/C(=C\c1cccc(OC(=O)c2cccc3ccccc23)c1)C(=O)Nc1ccccc1	408890632	WUQBFQIVIUGOGU-LTGZKZEYSA-N	418.452	5.605	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1	408963795	PJLFBUJXDRZTDF-MZJWZYIUSA-N	413.443	5.439	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)c2C)cc1C	408966327	ZWCLUSAEADACEL-UVHMKAGCSA-N	413.443	5.494	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1	409021590	OSKRCVXGFHIFFW-WGARJPEWSA-N	418.880	5.738	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cccc(OCc2cccc3ccccc23)c1	409060382	ZMAZODINIZZKFW-FFSLVDLBSA-N	412.533	5.695	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OCC)c1OCCC	409068696	BOVGCCWYHCOLDJ-RCCKNPSSSA-N	404.510	5.457	50	40	HKGB	
CN(C)CCOc1ccc(/C(=C(\CCCl)c2ccccc2)c2ccccc2)cc1	1531018	XFCLJVABOIYOMF-OCEACIFDSA-N	405.969	6.215	50	40	HKGB	in-vitro
CC(C)(C)c1cc(C(=O)N/N=C/c2cc3ccccc3cc2O)cc(C(C)(C)C)c1O	2157758	JQROEADHAYFIIL-JFLMPSFJSA-N	418.537	5.610	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1cc2ccccc2cc1O	2754495	AIQRBUXMXXFAHC-LQKURTRISA-N	419.484	5.312	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc2ccccc12)C(=O)NC1CCCCC1	6942590	VAVAJVNFNLMGPF-HAVVHWLPSA-N	410.517	5.775	50	40	HKGB	
CC(C)[C@H]1C[C@H](C)CC[C@@H]1OC(=O)[C@@H](Br)C12CC3CC(CC(C3)C1)C2	11027003	XDESLZPXEGCJAM-OJCJCZQDSA-N	411.424	5.970	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1	39884455	OZUVVMGSJGSZIG-GHRIWEEISA-N	410.395	6.073	50	40	HKGB	
Clc1ccc(Br)cc1-c1nc2ccc(CBr)cc2s1	73635385	HUQXYXFGVSZXKQ-UHFFFAOYSA-N	417.553	6.274	50	40	HKGB	
CC[C@@H](I)C[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	100491270	RQWFPJKYFHYRGL-RFZPGFLSSA-N	402.038	5.058	50	40	HKGB	
C=C(/C(C#N)=C/c1ccc(C)o1)N(Cc1ccc(Cl)cc1Cl)c1ccccc1N	107733435	IIWWTHGJGAJIHS-WOJGMQOQSA-N	424.331	6.605	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)Cc1cccc3ccccc13)[C@@H](C)CC(C)(C)N2C	208217257	CPPSZFHPTKGDBN-XTFCHBONSA-N	413.565	5.563	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCc3ccccc3F)cc2)c1	408744795	HGBSDZCNTJMCQU-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccccc2)cc1)c1cc2cc(Br)ccc2o1	408849378	ZQXQCJVKRRNQFB-OYKKKHCWSA-N	419.278	5.626	50	40	HKGB	
c1ccc(P(c2ccccc2)c2ccccc2C2=N[C@H](C3CCCCC3)CO2)cc1	1988182111	MNMYEHCIHFXGHU-VWLOTQADSA-N	413.501	5.171	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1-n1cccc1	4063027	BGHCDNOPLGITBG-AFUMVMLFSA-N	424.287	5.808	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccccc2)c(Br)cc1OCc1ccccc1	4196432	NHPQBDVOYUSWKQ-UDWIEESQSA-N	420.306	6.101	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	4953601	OZQLANIHNKOIEN-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1	10475776	QHTGQIDXUSLUDF-ZMOGYAJESA-N	417.292	5.345	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3ccc(F)cc3)c3ccccc32)c1	15012258	GNJJDCWDAJUDGY-ZHZULCJRSA-N	409.464	5.683	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl	59117214	GFPCZDOJCIEPKW-QGOAFFKASA-N	423.299	6.118	50	40	HKGB	
CCCCCCCOc1ccc(/C=N/NC(=O)CSc2nc3ccccc3[nH]2)cc1	100171954	KZLOTAMWZSSMRZ-LFVJCYFKSA-N	424.570	5.155	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(Cl)c3)o2)c1	408772303	NWWZZJBCVZYZAP-ATVHPVEESA-N	406.869	5.933	50	40	HKGB	
Cc1ccccc1OCCn1cc(/C=N/NC(=O)Nc2ccccc2)c2ccccc21	1093749	YHZFANWRSBTXHR-YZSQISJMSA-N	412.493	5.184	50	40	HKGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	4180480	XHQHRQQEZDHKTI-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
O=C(N/N=C/c1cccs1)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1	27519970	MFRSZHDHVANPPJ-SSDVNMTOSA-N	418.305	5.071	50	40	HKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1nc(-c2ccccc2)oc1Cl	30835565	KJQHEGPMLIQMFE-LSHDLFTRSA-N	420.321	5.032	50	40	HKGB	
O=C(Cc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2Cl)cc1	59419207	DLTOVGPADLMVFR-AFUMVMLFSA-N	413.304	5.265	50	40	HKGB	
CC(C)c1ccccc1N/C=C(/C#N)c1nc(-c2cc3ccccc3oc2=O)cs1	100080661	SDODHDUHXDPSNP-LGMDPLHJSA-N	413.502	6.016	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@@H](C[C@H]4Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	104105655	RRUNQYYWDSEOKB-UQGJSVSASA-N	401.375	5.712	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	107752375	IWWGZBHFEIWPDV-IWIPYMOSSA-N	406.441	6.391	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1OCc1ccccc1	408767051	IALHQVBTESJLLF-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
C/C(CCc1ccccc1)=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	408775777	KOMFBOJBBCPBEZ-NLRVBDNBSA-N	422.981	6.371	50	40	HKGB	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408801270	UOLMKBMTMCOGKY-NTEUORMPSA-N	419.706	5.435	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1	408812456	LWHLDYVHHQFQKD-JBBLAHPTSA-N	413.861	5.110	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	408888810	BAZCZMZZTCFTGD-CPNJWEJPSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(O)cc1	408935473	HGSAKYPWVZZNFO-PDGQHHTCSA-N	404.853	5.170	50	40	HKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)NC1CCCCC1	3288528	ICXKXHZRWRUEIT-ATJXCDBQSA-N	421.544	6.512	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc4ccccc4c3)c2C)cc1C	4047922	OIAOUYOXTTVHRR-MYYYXRDXSA-N	419.528	6.410	50	40	HKGB	
CCOc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	10475778	NSNDLQKXASQNBS-ZMOGYAJESA-N	417.292	5.345	50	40	HKGB	
COC(=O)c1ccc(COc2ccccc2/C=C(\C#N)Sc2ccc(F)cc2)cc1	14359582	DIJKQQWBJSBULW-HYARGMPZSA-N	419.477	5.848	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2Cl)c1	59255393	RQVKUIUXERQDGN-STZFKDTASA-N	416.908	6.027	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408796058	DBERUEZCFZJQCB-JBBLAHPTSA-N	403.309	5.855	50	40	HKGB	
CC(C)COc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)cc1Cl	409053904	DKVZUUISLDWKCX-VGOFMYFVSA-N	405.281	5.279	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc(F)c1	409211205	NDZKGNNDKORYAX-NDENLUEZSA-N	418.424	5.776	50	40	HKGB	
CCCCc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2C)cc1	2053885	RHPPYJBOGZIKAB-PCLIKHOPSA-N	418.497	5.109	50	40	HKGB	
O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1cccc2ccccc12	2060162	YUEKESHKMMOBAB-UHFFFAOYSA-N	424.323	5.483	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Br)cc3)n2)c(C)c1	2277002	RXEJMFGWIMDQDQ-RVDMUPIBSA-N	410.340	6.166	50	40	HKGB	
COc1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)o2)c([N+](=O)[O-])c1	2305630	ADPVYCGFGOWIEH-LFIBNONCSA-N	417.421	5.026	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)Cc2cccc3ccccc23)cc(C(C)(C)C)c1O	3081391	WKBYBOJESXURAP-OGLMXYFKSA-N	416.565	5.833	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)OCc2nc3ccccc3s2)c(C)n1CCC(C)C	3406005	VXQBCIXLQLZVRP-XDHOZWIPSA-N	407.539	5.411	50	40	HKGB	
COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)o1	12418234	IGNDLIOEAIWBMD-XYOKQWHBSA-N	420.812	5.457	50	40	HKGB	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N/N=C/c1ccc(Oc2ccccc2)cc1	20243979	QYBBAVPIGWDJKR-DTVDJLOLSA-N	410.926	5.763	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C=C2C	223504401	NABSCDSOOOWPDD-CVKSISIWSA-N	405.542	5.178	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1	408833182	ZPSOLEYLWRGYJZ-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1ccccc1	1056784	LETBOGIXQAEDCS-NRFANRHFSA-N	403.913	5.281	50	40	HKGB	
Cc1cccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1	4180478	HGYNPGCTZGASAE-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
COc1ccc(OC)c(/C=C(\C#N)c2nc(-c3ccc(C)cc3)c(NC(C)=O)s2)c1	4953793	MIBROARUUIVULK-WOJGMQOQSA-N	419.506	5.158	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	5769145	KTQBGIRDBRWERA-UKTHLTGXSA-N	401.224	5.938	50	40	HKGB	
CCCOc1ccc(Cl)cc1/C=N\NC(=O)c1ccc(OCCC)c(OCC)c1	6324344	ZOHPFOKQTQODEL-IWIPYMOSSA-N	418.921	5.080	50	40	HKGB	
CC/C(=N\NC(=O)c1ccccc1Br)c1ccc(Cl)c(Cl)c1	6541520	NMMLISIMJLUEDM-HMMYKYKNSA-N	400.103	5.300	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)cc3C)o2)cc1	13511662	PSKFTFPHGSTJAT-ZHZULCJRSA-N	414.461	5.286	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	40961777	IHFONXPTAJPFOL-AFUMVMLFSA-N	424.953	5.470	50	40	HKGB	
CCCCOc1ccc(/C=N\NC(=O)c2ccccc2C(F)(F)F)cc1OCC	408533695	RPSPZIBQUPRTSR-QFEZKATASA-N	408.420	5.047	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)C(=O)NCc1ccccc1	408538710	PNEIYQXXVZUNHT-CJLVFECKSA-N	424.972	6.303	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C	408565868	BTWKVFCRAAFBQP-LGJNPRDNSA-N	400.400	5.275	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)ccc1OCc1ccccc1	408735426	RTDMWWFCOYEHGC-XDHOZWIPSA-N	418.880	5.473	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OCc4cccc(C(=O)O)c4)cc3)[nH]c2cc1C	408783534	ODTUNAZDGOKTFJ-MTJSOVHGSA-N	423.472	5.521	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)OC1CCCCC1	864117	MTLWWOGSOKORQR-NTCAYCPXSA-N	400.272	5.492	50	40	HKGB	
CCCCOc1ccc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccccc1OC	4544223	FVBFBINQNVQUAR-MNDPQUGUSA-N	400.478	5.573	50	40	HKGB	
CCC[C@@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1	20132716	GQHOEXLHRZIODA-OAHLLOKOSA-N	419.344	5.377	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1	20197600	WISARHWWGWYLHU-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
N#CCCn1cc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c2ccccc21	21193688	YPAQCNXPTQMSLH-NTCAYCPXSA-N	408.383	5.119	50	40	HKGB	
C/C(=N\NC(=O)CC(C)C)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	58917385	DOURHTAUQGEDAB-ZITIFFOTSA-N	405.517	5.539	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(Cl)c3)c2C)cc1C	408591899	VZXSSKSQTJVXJN-VULFUBBASA-N	407.945	5.366	50	40	HKGB	
CC(C)Oc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	408775800	JXVKBAOOFBRBLZ-SFQUDFHCSA-N	417.421	5.188	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc4ccccc4c3)cc2)cc1	408787438	ACLYSCKLRDNVGN-PCLIKHOPSA-N	418.496	6.273	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccccc2)cc(C)c1OCc1ccc(Br)cc1	408851217	AGUHWLPSHAIUQQ-HYARGMPZSA-N	418.334	6.709	50	40	HKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccc(F)cc1	408864915	ALEAOMMPOSATOI-LTGZKZEYSA-N	424.450	6.254	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2Cl)cc1)C(=O)Nc1ccccc1Cl	408872988	QHUPETZFJLSQKV-XMHGGMMESA-N	407.300	6.130	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1Cl	408960027	IDUFFPNKISMBKL-WQRHYEAKSA-N	424.283	6.335	50	40	HKGB	
Cc1ccc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cc1Br	659619	RUGCPZLVYBHZJQ-FSJBWODESA-N	407.267	5.421	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Oc2c(C)cc(Br)cc2C)cc1	1903542	ZWGQQDHLIXFZGR-SFQUDFHCSA-N	414.299	5.367	50	40	HKGB	
Cc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1	4922511	FLUWGPWJENRTQG-GOSISDBHSA-N	409.942	5.176	50	40	HKGB	
N#C/C(=C\Nc1ccc(F)c(F)c1)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	11853092	GUECUCSKMVDUFQ-XMHGGMMESA-N	415.468	6.732	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1	33667459	HDBKNAMBEKGJPV-BOPFTXTBSA-N	421.331	6.650	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)c(Br)cc1OC	33709307	WMJPPWWXSMTWAF-ZSOIEALJSA-N	412.287	5.105	50	40	HKGB	
CCCCCCCc1ccc(C(=O)NNC(=O)C2CCC(c3ccccc3)CC2)cc1	97997002	PZZHERBAKCYTRJ-UHFFFAOYSA-N	420.597	5.935	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccccc1Cl)[C@@H](C)CC(C)(C)N2C	208232237	ZZHJEUFWSWHYGH-GYXHFJGISA-N	407.945	5.916	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(C)cc1	408549419	SMPVNFIJZLPLLN-YSMPRRRNSA-N	405.497	6.800	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)c1	408796917	ZOIRQHTUXQMUIR-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(Cl)cc2)cc1	408831355	PGGAWWYYFGBTJS-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408908536	AHVOPUOCMFHKLR-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1-c1ccc(Cl)c(C(=O)O)c1	408946531	OZGAHIVLWPQISB-MFOYZWKCSA-N	411.288	6.163	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1OC	409065709	IYDOWFMXFIJWNS-KGENOOAVSA-N	402.494	5.151	50	40	HKGB	
Cc1ccc(C)c(CC(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c1	409362255	IQYUWICMFAAVQU-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cc1	4598996	AKFCZISWGHHBIV-OQKWZONESA-N	409.485	5.993	50	40	HKGB	
CC[C@@H](C)Oc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1OC	6357648	QMCJKWZRKINWFZ-YQYFLZKSSA-N	412.917	5.688	50	40	HKGB	
COc1ccc2[nH]c(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)nc2c1	9934917	KGVPAKNTANTQMS-JYRVWZFOSA-N	419.824	5.247	50	40	HKGB	
O=C(Cc1ccc(Br)c2ccccc12)N/N=C/c1c(F)cccc1Cl	13943093	DLRFLLHTIHSAEH-FOKLQQMPSA-N	419.681	5.088	50	40	HKGB	
CC(C)[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccccc3)cc2s1	20133447	JCMOIMZMTKIORX-KRWDZBQOSA-N	419.344	5.233	50	40	HKGB	
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	58886757	RHBUTFFITXGUAZ-NZYROCMPSA-N	417.292	5.217	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1	59117017	WRGNVXOHSYWKEN-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c(C)c1	59201053	SZXPOJIIYHSNMK-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1	59335474	IETTUBZPLXGOGS-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)c(C)c1	100860067	TUMMSJBPILKCNG-WJDWOHSUSA-N	424.367	6.474	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3cccc(Br)c3)c2c1	408780056	RAENWBMZAXRKAB-AQTBWJFISA-N	422.322	6.464	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cc1OC	408790184	UTYRLQHHECPRIS-RIYZIHGNSA-N	405.281	5.255	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cc(C)cc(C)c2)cc1	408874299	BAHBSDAPTVDTPH-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3C)o2)c1	408963476	ZQSSSSJTOGGCFJ-PDGQHHTCSA-N	400.434	5.116	50	40	HKGB	
O=C(N/N=C\c1ccc2c(ccn2Cc2cccc(F)c2)c1)c1ccc(Cl)cc1	409228832	FUDGTNOJPQCXPX-WGARJPEWSA-N	405.860	5.246	50	40	HKGB	
C=C(C)C(=O)OCCCC(O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C	584578820	MLOQVDGTAJLUCK-UHFFFAOYSA-N	406.744	5.094	50	40	HKGB	
Cc1cc(C)c(-c2c(C)cc(C)c(NC(=O)CCl)c2C)c(C)c1NC(=O)CCl	670426186	IEBDNESODSLGDR-UHFFFAOYSA-N	421.368	5.559	50	40	HKGB	
N#CSc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1	4601418	LOJIUQFCTSDZAR-RVDMUPIBSA-N	405.866	5.719	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(/N=N/c2cccc3ccccc23)ccc1O	8722596	PVLZTGIHLDJNDV-JLAZDCSASA-N	424.460	5.733	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccccc2C#N)ccc2ccccc12)c1ccccc1F	33851465	WTGPMIFQDQOXBE-JCMHNJIXSA-N	404.444	6.494	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OC	145186775	UIXTZODOYNQEJF-NTUHNPAUSA-N	424.806	5.312	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)Sc1nc2ccccc2[nH]1	408598763	JILGXVBPWOGQFV-GXDHUFHOSA-N	412.301	6.786	50	40	HKGB	
COc1ccc(/C=N\NC(=O)c2cc3cc(Br)ccc3o2)c2ccccc12	408852727	HULWGIVQMRLZAR-FMCGGJTJSA-N	423.266	5.121	50	40	HKGB	
Cc1ccsc1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2	1058100	DUAIEUXHAGFAJU-IBGZPJMESA-N	423.969	5.651	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)cc(Br)c1OC	5879708	DAMBVUWUKOLXBP-KPKJPENVSA-N	401.285	5.140	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1	9200672	PLFDYIHHOZDLLY-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2ccccc2c1	35303259	MGRQZWQECUYOCA-IWIPYMOSSA-N	406.441	6.391	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1	59198893	YBQHWGRQHLDTRX-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
CCO/C(=C\C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118926090	MXQFLKHCOJJHMA-UJUSWISHSA-N	414.586	5.616	50	40	HKGB	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)cc1	408598766	JMOINBJECKAMQL-SFQUDFHCSA-N	401.447	5.266	50	40	HKGB	
CCCCCCOc1ccccc1/C=N/NC(=O)[C@@H](c1ccccc1)C1CCCCC1	408723714	CJVSNBBMKDRJKY-KAXMYJSTSA-N	420.597	6.460	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	408804034	CHLDQAHWIICVEE-FCYBPZHVSA-N	403.309	5.855	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)cc1	408926203	WAAWHKJHXKZHHG-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3C)c2C)cc1Cl	408985941	LCPZDGDSMIFWKL-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1	409076091	XRWPWLGXQBJYCO-YDZHTSKRSA-N	401.318	5.909	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)c3nc4cc(C)c(C)cc4[nH]3)c2C)cc1	409186727	HAVFKTRQEKWVJF-STZFKDTASA-N	410.521	6.050	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc2ncccc2c1	409229480	PQQVAVGEUNEYGN-OQLNFPPLSA-N	420.516	5.427	50	40	HKGB	
O=C(NN=C1CCCCCCCCCCC1)C(=O)Nc1cccc(C(F)(F)F)c1	4351024	WRRXMPDCEBBJOM-UHFFFAOYSA-N	411.468	5.421	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(Br)c1OC	6425809	FGPQSJMVIIZOOW-VGOFMYFVSA-N	412.287	5.024	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccc(C)c(C)c3)cs2)c(C)cc1[N+](=O)[O-]	9313329	PHZOAIQEOQPPBT-GZTJUZNOSA-N	420.494	5.629	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	59117661	CSYLIPOXQINBSY-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1	59201245	JCWKOKAHDYYKAQ-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\C#N)C(=O)Nc3ccccc3C)c2c1	408773758	TUWUOXQBMCJDFG-XMHGGMMESA-N	407.473	5.698	50	40	HKGB	
Cc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)c3cccc4ccccc34)cc2)cc1	408883800	VABRZXXKQUSVAB-WPWMEQJKSA-N	408.457	5.131	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1O[C@@H](C)CC	409203662	ZVWPZOGMURJVAM-XGHPXPSOSA-N	400.862	5.888	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(Cl)cc1	409392095	KWLUQVLKONKQML-NDENLUEZSA-N	407.872	6.521	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Br)c(Cl)c2)o1)c1cccc(F)c1	409394278	YBKYKGAZVPWISH-ZROIWOOFSA-N	402.650	6.566	50	40	HKGB	
CC(C)(C)C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Sc1nc2ccccc2s1	2539504	XXAKLHVNRIGGGJ-GXDHUFHOSA-N	423.519	5.878	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C(=O)c1ccccc1	4520510	FAHIIMZYBCPALA-XDHOZWIPSA-N	408.284	6.362	50	40	HKGB	
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1	13109319	DCAXTOHDLZSPIL-VULFUBBASA-N	419.937	5.878	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(Br)cc1	15227034	HVHXKRJNEXGVLK-VKAVYKQESA-N	420.310	5.348	50	40	HKGB	
N#CC(C#N)=Cc1ccc(-c2cc(-c3ccccc3)c(N3CCOCC3)s2)s1	16492810	OBEDJXRBZQMZHV-UHFFFAOYSA-N	403.532	5.411	50	40	HKGB	
COc1ccc(C2=C/C(=C(/C#N)c3nc4ccccc4s3)c3cc(O)ccc3O2)cc1	31783825	GDAIGKBKOGYXQF-CZIZESTLSA-N	424.481	5.878	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)Nc1cccc(Cl)c1Cl	39884618	SEYDGFVORJBJKG-JLHYYAGUSA-N	417.679	6.452	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)cc2)c1	59432988	RCRDSUAUYQHEJO-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
COc1cc([C@H]2C(C#N)=C(SCc3ccccc3)N=C3CCCC(O)=C32)ccc1O	103541287	IJQVUQYQRDWVLG-QFIPXVFZSA-N	418.518	5.604	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2cccc(C)c2)c1	408801902	WQROTIKHPUPUJZ-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)cc1Cl	408956948	ZIGIQLONMOBXBN-BKAYVGFPSA-N	421.928	5.264	50	40	HKGB	
CCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(N(CC)CC)cc2)cc1	4179552	AOIHUCJQHFQPTA-LGUFXXKBSA-N	422.573	5.206	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1nc2ccccc2s1	5234246	RHBNJIZHJXYQEZ-FMIVXFBMSA-N	407.838	6.182	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2ccccc2F)c1OCC(=O)Nc1ccc(C)cc1	33740218	DWSLWZKKBRQBCB-RGEXLXHISA-N	416.452	5.224	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)ccc1OCC(=O)Nc1ccc(C)cc1	33860968	ILHKTIYHDRQWPT-UYRXBGFRSA-N	416.452	5.224	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1F	59255490	JTLRKCZPOHHBPE-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1	108297749	JMLXFKFLCNONIP-LVZFUZTISA-N	410.945	6.625	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3c(C)n(Cc4ccccc4)c4ccccc34)[nH]c2cc1C	408542173	HILACNKMONTNBR-JCMHNJIXSA-N	416.528	6.555	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)c3ccccc32)c1	408795101	KDEQMTKZUKFAHS-XSFVSMFZSA-N	407.473	5.249	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1	408815472	RKJGRKIYURXOPX-DSQDWWTGSA-N	411.288	6.038	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3Cl)cc2)cc1	408834035	KVBSKLSWFSDITK-XMHGGMMESA-N	418.880	5.473	50	40	HKGB	
Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1	408894007	IAOVKVPIDZTSRJ-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
COc1cccc(CC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c1	409016215	FDXADOSBASGDAZ-XKZIYDEJSA-N	416.955	5.254	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(Cl)c1	409053012	VZKITNYRIVGLFE-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)N1CCc2ccccc2C1	1088460	HZLGBSNAYIWYER-WOJGMQOQSA-N	423.299	5.745	50	40	HKGB	biogenic,in-vitro
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1	2307404	NSQOKPYTAFGGPQ-XNTDXEJSSA-N	406.825	5.152	50	40	HKGB	
CCOc1ccccc1/C=N/NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1	3251115	KZGMNKVOUBTFNK-MFKUBSTISA-N	424.953	5.795	50	40	HKGB	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	3328673	MJNHMHCBTOYBNY-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)c([N+](=O)[O-])c1	408599619	XRFOJBYEXGJEPM-ZVHZXABRSA-N	405.454	5.225	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3)c(Cl)c2)cc1	408793546	FHGKDRBDPJFZGJ-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccccc2F)cc1C	408877732	UDUNYIMPHWSIKJ-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
c1ccc(P(c2ccccc2)c2ccccc2C2=N[C@@H](C3CCCCC3)CO2)cc1	1857775597	MNMYEHCIHFXGHU-RUZDIDTESA-N	413.501	5.171	50	40	HKGB	
ClCCN(CCCl)CCN1c2ccccc2Sc2ccc(Cl)cc21	1693847	QRJLLOCDVBKMKG-UHFFFAOYSA-N	401.790	5.722	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(Cl)cc1	3668812	DWNJJKVSKCKJAB-PDGQHHTCSA-N	411.730	6.574	50	40	HKGB	
O=C(N/N=C/c1cn(CCOc2ccccc2)c2ccccc12)c1cccc(Cl)c1	4562053	PGCCAUJISDYKQF-WGOQTCKBSA-N	417.896	5.138	50	40	HKGB	
CCN1CCC(=NNC(=O)c2cc(-c3ccc(C(C)C)cc3)nc3ccccc23)CC1	55079245	OZFNGEYVYQAZGC-UHFFFAOYSA-N	414.553	5.227	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2nc3cc(C)c(C)cc3[nH]2)c1C	59104400	PEUBEFIHKIDUKF-UCQKPKSFSA-N	408.549	6.522	50	40	HKGB	
CCCCCCCCCCOc1ccc(C(=O)N/N=C/CCc2ccccc2)cc1	100035115	DGQPGIJSABFTGX-SZXQPVLSSA-N	408.586	6.555	50	40	HKGB	
CCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1sc2c(c1C#N)CCCC2	107976850	MXCORUYLKHGTLN-ZROIWOOFSA-N	411.914	5.096	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)c2ccc(Br)cc2)cc1Br	408579954	LYINIEFYRVRTDF-XNTDXEJSSA-N	421.132	6.065	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1	408599767	ZJQMSFCSNDSROR-UYRXBGFRSA-N	417.921	6.452	50	40	HKGB	
O=C(N/N=C/c1ccccc1)c1cc(-c2ccc3ccccc3c2)n(-c2ccccc2)n1	408726702	STBBGRYBXJNSGG-TURZUDJPSA-N	416.484	5.456	50	40	HKGB	
O=C(N/N=C/c1cccs1)c1cc(-c2cccc3ccccc23)n(-c2ccccc2)n1	408727414	WOGPVIVTWVOPAZ-YZSQISJMSA-N	422.513	5.518	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCC	408789509	JSRRSUUCRKLXDP-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408812293	LMLLOFXZTSNLML-XRXWLHDISA-N	403.309	5.855	50	40	HKGB	
O=S(=O)(N[C@H](c1ccccc1)[C@H](Cl)c1ccccc1)c1ccc(Cl)cc1	1066499	OHHMWQSOGNTQQA-WOJBJXKFSA-N	406.334	5.340	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1cccc(C)c1	6351086	CHEAUDPVOYCZLX-YUMHPJSZSA-N	419.524	7.190	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	59335446	ZXBRHAHGCCNBJR-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
COc1ccc(-c2csc(N/N=C/c3ccc(N(CCl)CCl)cc3)n2)cc1	101380453	YJMGQXWOLPRLEE-LSHDLFTRSA-N	421.353	5.464	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1cc3ccccc3cc1O)[C@@H](C)CC(C)(C)N2C	208210901	AILICFFWESTNHW-JEWIKEISSA-N	415.537	5.340	50	40	HKGB	
FC(F)C(F)(F)CO[C@@H]1C[C@@](F)(C(F)(F)F)[C@@](F)(C(F)(F)F)C[C@@H]1Cl	215670502	GXGLHNCRLZGEBB-HFEOUEFNSA-N	420.621	5.214	50	40	HKGB	
O=C(Cl)/C=C/c1ccc(OCc2cccc3ccccc23)c(Br)c1	226334958	QUCBGFLXQWIXAZ-PKNBQFBNSA-N	401.687	5.960	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)cc2[C@H](C)CC1(C)C	260565034	GNANQHSXYSVIIS-UEXNTNOUSA-N	421.972	6.386	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	408540291	PRGAVWFJUOEPTP-LTGZKZEYSA-N	408.498	6.407	50	40	HKGB	
COc1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1I	408548051	CKRZSQPIJFBSNP-ZDLGFXPLSA-N	411.242	5.517	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1	408738145	QLPPRIQAUJXEGD-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1	408797328	REIUZWUKVHVQPK-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c1	408988488	QZHXTNNNSLSSOV-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
ClCCCNCc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1	1705588	CHUFOQXTPVDVSP-UHFFFAOYSA-N	409.960	7.532	50	40	HKGB	
CC(C)(C)C(=O)[C@@H](Br)[C@@H](Br)c1cccc(C(F)(F)F)c1	3156999	NXVDTMWABHJCCM-QWRGUYRKSA-N	416.075	5.520	50	40	HKGB	
Cc1ccc2c3c1C(=C(C#N)C#N)C(=O)N3C(C)(C)C[C@@]2(C)c1ccc(Cl)cc1	4702858	BRTFSCTXHYDERE-DEOSSOPVSA-N	401.897	5.284	50	40	HKGB	
N#CS[C@@H](C(=O)c1cccc2ccccc12)[C@@H](Nc1ccccc1)c1ccccc1	5338471	AFMVJKSMTPBTCH-AZGAKELHSA-N	408.526	6.459	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1Br	6707252	KWHWTPILINLVDO-LWLPBDFMSA-N	401.260	5.599	50	40	HKGB	
N#CC1=C2SCN(c3ccc(Cl)cc3)CN2C(=O)C[C@H]1c1ccc(Cl)cc1	9693124	RSHPJRQGHLBJFO-KRWDZBQOSA-N	416.333	5.213	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	28217328	QHASNCSVEUEPAN-ZMOGYAJESA-N	411.958	5.298	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(C(=O)O)cc1	33571574	MBUPWQGYQJEMOB-ODLFYWEKSA-N	424.283	6.335	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1ccccc1	33932377	HYBYSQJIVBUFRF-SWEABUAFSA-N	420.852	5.083	50	40	HKGB	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(OCc2ccccc2)c1	103010269	JFKRKWJWVBMQQB-HAVVHWLPSA-N	420.553	5.658	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2nc3cc(C)c(C)cc3[nH]2)cc(OCC)c1OCC	106113399	VDDPJKNDMWAUIN-DEDYPNTBSA-N	401.510	5.770	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccc1	209280720	WGLXMVQNCQPYDJ-OSVNEOKWSA-N	416.908	5.703	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)C(=O)Nc1ccccc1	408727366	RMLOXONTCVJNID-RGEXLXHISA-N	411.892	5.889	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)cc2)c1	408875558	JZZWCSGFWYWKAI-OEAKJJBVSA-N	414.936	6.402	50	40	HKGB	
Cc1cc(C)cc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(C)c(C)c2)c1	408895687	VNKVTPQGXLKWOS-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)cc1C	408938824	RQMBVHMCEXHZLU-BKUYFWCQSA-N	400.453	5.567	50	40	HKGB	
O=C(CBr)c1cc(C(F)(F)F)c(Br)cc1C(F)(F)F	575340847	DAEVAAZWXWJUCN-UHFFFAOYSA-N	413.937	5.064	50	40	HKGB	
O=C(CSCc1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	3109528	MKINOANRMIANON-ZVHZXABRSA-N	410.926	5.516	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc3ccccc23)c1)C(=O)NCc1ccccc1	4503875	DYZIUQSPOFTPJV-PCLIKHOPSA-N	418.496	5.642	50	40	HKGB	
BrCCN(CCBr)c1cccc(/C=C\c2ccccc2)c1	4774299	HRQFZMXSZCXOSJ-KTKRTIGZSA-N	409.165	5.453	50	40	HKGB	
Cc1ccc2[nH]c(/C(C#N)=C/c3cn(Cc4ccccc4Cl)c4ccccc34)nc2c1	8408028	FGCYDBYFAMLSEC-CPNJWEJPSA-N	422.919	6.592	50	40	HKGB	
C[C@H](Sc1ccccc1)C(=O)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	13576228	IWOKRHQBUSVFBU-STPJHCLOSA-N	424.953	5.550	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)ccc1O	13739189	BKIYYEBQEMNAIO-HMAPJEAMSA-N	424.525	6.646	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccccc2F)c(C)n1-c1sc2c(c1C#N)CCCC2	33535473	YAHNFTAXKHVWBF-PDGQHHTCSA-N	401.510	6.109	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)c(C)c1	59201721	ZVGUGULLOFAOSE-MTJSOVHGSA-N	400.453	5.567	50	40	HKGB	
CCCCCCCCCCCCCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1	98001344	RVJXDYITFAVSGT-WEMUOSSPSA-N	422.613	7.630	50	40	HKGB	
c1ccc([C@@]23C[C@H]2COP3(c2ccccc2)(c2ccccc2)c2ccccc2)cc1	104194430	BXVSDQHJARXQCQ-CUBQBAPOSA-N	408.481	5.377	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3Cl)cc21	223505598	MIXAEDPJZZEEOL-MZJWZYIUSA-N	423.988	6.131	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(OC)c3)cc2[C@@H](C)CC1(C)C	223581314	ZZDHVURSWKZZDB-HRVJUDJTSA-N	417.553	5.661	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408580268	NSMFVJVLWUDVQH-LPYMAVHISA-N	403.909	6.690	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccc(CC)cc1	408807896	LLGRTULCQPOQHB-SFQUDFHCSA-N	411.299	5.122	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c(OC(C)C)c1	408875157	DMDGCHZBEUMJNB-OQLLNIDSSA-N	404.388	5.047	50	40	HKGB	
CC[C@H](C)Oc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2)cc1Br	409192280	ALPLUXXZVYRSMV-OVMKCGGTSA-N	409.711	5.044	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cc1Br	1453949	IESMBTSFBLQKSL-LFIBNONCSA-N	407.267	5.157	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4oc(=O)ccc4c3)n2)cc1	2302681	GWDYOQQNGCOPCZ-GHRIWEEISA-N	415.474	5.292	50	40	HKGB	
CCOc1ccc2ccccc2c1/C=N\NC(=O)[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1	4592627	AWGFBOMWGBKOJZ-BSOCVTHMSA-N	414.549	5.790	50	40	HKGB	
Cc1cc(C(=O)NN=C2CCC(c3ccccc3)CC2)c(C)n1-c1ccc(F)cc1	4866753	JGFVTXJDDLTNBN-UHFFFAOYSA-N	403.501	5.677	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C\Nc3cccc(Cl)c3Cl)n2)cc1	13774243	KDWWKPZIMILKCZ-PTNGSMBKSA-N	400.334	6.656	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)Cc2ccc(C)cc2C)c1C	20194835	FLGYLCMSIBDEHY-VULFUBBASA-N	423.944	5.066	50	40	HKGB	
N#C/C(=C\c1cc2c(cc1Br)OCO2)Sc1nc2ccccc2s1	33643736	RLVGPWOQHHYCII-VZUCSPMQSA-N	417.309	5.444	50	40	HKGB	
O=C(CCSc1ccccc1)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1	58928060	UEKAAQPCOABTGQ-PCLIKHOPSA-N	424.953	5.552	50	40	HKGB	
N#C/C(=C\c1cc(Br)c2c(c1)OCCCO2)c1nc2ccccc2s1	96291637	PUAFUNGIQOFQFB-MDWZMJQESA-N	413.296	5.284	50	40	HKGB	
S=c1sc2c(s1)S[C@H]1[C@H](C[C@@H](Br)[C@H]1Br)S2	101463576	WLRYZLICTXBSLV-LECHCGJUSA-N	422.279	5.405	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc2C(C)=CC1(C)C	208507020	VNWNCIUDJFHHMV-VULFUBBASA-N	421.928	5.872	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](B(O)O)CC[C@]4(C)[C@@H]3CC[C@]12C	263600017	JOCMCCBKCLSCSH-REBUVGRLSA-N	414.483	6.871	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1cccc(C)c1	408566663	IIDAYIZAWSIITD-ODLFYWEKSA-N	413.452	5.662	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3Cl)c2C)c1	408745734	OPDUUTLQIJNPRR-UYRXBGFRSA-N	419.912	5.692	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccccc1Br	1091010	GWPJMLGTXXUAJZ-GHRIWEEISA-N	419.278	5.787	50	40	HKGB	
Cc1sc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(F)cc3)c2C)c(C#N)c1C	2314491	BKENPXXMNQFURX-VCHYOVAHSA-N	418.497	5.329	50	40	HKGB	
COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3C(=O)[C@@H](Br)[C@H]21	4403865	UMARPJVAPXVBEX-KRZXBLKESA-N	407.348	5.007	50	40	HKGB	
N#CC(C#N)=C/C=C(/c1ccc(Cl)cc1)N1CCN(c2ccccc2Cl)CC1	6276755	KWAVYNFAQUNMSX-FBHDLOMBSA-N	409.320	5.130	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1Cl	13161661	ASZUHJBKEDZSDE-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2cc(-c3ccccc3)sc2O)c1	20357275	UTLYCQKHLYRXME-ZMOGYAJESA-N	408.523	5.082	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(COc2ccc(Cl)c(C)c2)cc1)c1ccc(C#N)cc1	38203903	VNOSHGFKLPZJEI-PKAZHMFMSA-N	417.896	5.253	50	40	HKGB	
O=C(N/N=C\c1ccccc1Sc1ccccc1)c1ccc(N2CCCC2)cc1	38431057	GKXYMEMWXVXVNI-BWAHOGKJSA-N	401.535	5.202	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccn1-c1ccc(N(C)C)cc1	59104322	DPRWSMIRQVGKOE-VKAVYKQESA-N	404.901	5.051	50	40	HKGB	
COc1cc(N2CCCCC2)ccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	98087036	WTGBKLMODWNLGT-AQTBWJFISA-N	409.917	5.193	50	40	HKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	408566412	GFYGZOFGHODBHF-OVVQPSECSA-N	400.522	5.256	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccccc2Cl)c2ccccc21	408587253	FAGZUZPQIWMGDM-VULFUBBASA-N	401.897	5.415	50	40	HKGB	
Cc1oc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)c(C#N)c1C	408599805	KYZCQQPZBMWAIY-MZJWZYIUSA-N	416.525	5.237	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)C(=O)Nc1cccc([N+](=O)[O-])c1	408601174	IWYPCWFKZQOKOV-JYRVWZFOSA-N	411.776	5.193	50	40	HKGB	
Cc1ccc(/C=N\NC(=O)c2ccc3c(c2)CN(c2cccc(C(F)(F)F)c2)C3)cc1	408728651	QQWXSRUYYINAFP-QDTIIGTASA-N	423.438	5.298	50	40	HKGB	
N#C/C(=C\c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1	408737618	FABOVUGHUJIWAO-LFIBNONCSA-N	421.796	6.013	50	40	HKGB	
C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2Cl)o1	408796060	DBERUEZCFZJQCB-XRXWLHDISA-N	403.309	5.855	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c1C	408965695	XFGBSUGIOPVOQN-UVHMKAGCSA-N	413.443	5.494	50	40	HKGB	
N#CC1=C(SCc2ccc(Cl)c(Cl)c2)NC(=O)C[C@@H]1c1ccc(F)cc1	6495447	BDSXQJLKYVGNJM-CQSZACIVSA-N	407.297	5.405	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	33557199	BWQWGOLNDMOAQG-CPNJWEJPSA-N	404.554	6.095	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)CC(C)(C)N2C	208212007	XOGHMYARXONSAF-DSKMXOTJSA-N	418.368	5.788	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(Cc2ccccc2C#N)c2ccccc12	408743521	GJZWBOCIMXATFV-HMAPJEAMSA-N	416.484	5.415	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2Cl)o1	408819873	YOBQNFASPCDHQN-RHOAAEBCSA-N	403.309	5.855	50	40	HKGB	
COc1ccc2c(Cl)c(C(=O)N/N=C\c3ccccc3Cl)sc2c1Cl	408971710	JZEFMKSWQLBGLO-WNFQYIGGSA-N	413.713	5.634	50	40	HKGB	
CCOc1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1Br	409021644	RPAHKWPXGZGILS-FBHDLOMBSA-N	421.678	5.011	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)s2)c(C)c1	409022975	AGWZRWSSINFUQI-UUYOSTAYSA-N	415.971	6.325	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc(OCC)c1OCCC	409069217	IBDBZQNJFIPUHM-PXLXIMEGSA-N	418.537	5.765	50	40	HKGB	
O=C(c1ccc(Cl)s1)[C@H](Cl)[C@H](Cl)c1ccc(Br)s1	1685380	VOZIGMOIWKPGSM-NXEZZACHSA-N	404.565	5.996	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1	1903462	JERPFGGFKIYJOK-HMMYKYKNSA-N	417.534	5.843	50	40	HKGB	
CC(C)(C)C(=O)Nc1ccc(SSc2ccc(NC(=O)C(C)(C)C)cc2)cc1	3109389	GXODVGBETUCOFN-UHFFFAOYSA-N	416.612	6.455	50	40	HKGB	
Cc1cc(SCC(=O)N/N=C/c2c(Cl)cccc2Cl)c2ccccc2n1	4091512	HOJPCNLMPVSPGR-LSHDLFTRSA-N	404.322	5.092	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(-c2ccc(Oc3ccccc3)cc2)cs1	4791605	MEJHSAOWEAAWLA-RGEXLXHISA-N	414.917	7.320	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1	6410528	PKRFDCZZLQBCIN-DSQDWWTGSA-N	411.288	6.038	50	40	HKGB	
CCCCCCCCCCCC(=O)NNC(=O)c1ccc(CCCCCCC)cc1	8387354	XZNOXBNKSQLYMB-UHFFFAOYSA-N	416.650	6.881	50	40	HKGB	
COc1ccc(Br)cc1/C=N\NC(=O)c1cc2c(ccc3ccccc32)o1	16226521	IPQQTZMLDRLZPF-FMCGGJTJSA-N	423.266	5.121	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4ccc(Cl)c(Cl)c4)c3C)[nH]c2c1	33668704	GCVCTTRLBWTLLB-LICLKQGHSA-N	421.331	6.650	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1c2ccccc2cc2ccccc12	33706876	JOMFNQKESDZHDW-OGLMXYFKSA-N	404.469	5.919	50	40	HKGB	
O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCc2ccccc2)cc1	59473100	XEHFQEZSHMUDCQ-AFUMVMLFSA-N	424.953	5.303	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)c(Cl)c3)o2)cc1	83319539	NTAVJMDDLBCQLT-XNTDXEJSSA-N	406.825	5.152	50	40	HKGB	
Cn1cc(/C=C2\C(=O)OC(=O)C2=C(c2ccccc2)c2ccccc2)c2ccccc21	100739721	IZZYFHBKUPBSOP-JWGURIENSA-N	405.453	5.147	50	40	HKGB	
CCCCCCCCCCC/C(=N\NC(=O)c1ccccc1O)c1cc(C)ccc1O	100955159	SXMODHZRQJAKKV-SLEBQGDGSA-N	424.585	6.461	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1cccc(F)c1	408543951	UAPLWNXGKUDHRZ-JAIQZWGSSA-N	403.409	5.176	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)cc2)ccc1OCc1ccc(F)cc1	408581607	JNVIAOMQFPBUBT-KGENOOAVSA-N	403.453	5.876	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3cccc(Cl)c3)c2C)cc1Cl	408734456	GNGHSEDXYTVCQC-VCHYOVAHSA-N	424.331	6.255	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)c1	408753013	GWKXGRUUQLQDBQ-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N\NC(=O)c1ccc(Br)cc1	409006752	KSLCBZFFPCMJPR-UCQKPKSFSA-N	411.299	5.155	50	40	HKGB	
COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(C(F)(F)F)cc1	409091983	WSKQHZYHXXHZDC-BOPFTXTBSA-N	402.416	5.387	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)cc1Cl	409201116	LVPDRFZSLOGOTI-XIJPWPHISA-N	411.354	5.413	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc4c(c3)OCCO4)n2)cc1	2302879	GRFSZNJAYUGSJD-XMHGGMMESA-N	417.534	5.756	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)nc3c(C)cccn23)cc1C	16742543	APUNDGISFVYRSN-RCCKNPSSSA-N	406.489	5.472	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC(=O)c3cccc(Cl)c3)cc2)cc1	408759969	PENLNNDEMRNLOL-UYRXBGFRSA-N	416.864	5.413	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c1C	408838624	YLBVAKDUMDTKJQ-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc(C(F)(F)F)cc1	409014827	LEGCQHXCRISJNK-KAMYIIQDSA-N	421.896	7.636	50	40	HKGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3)=C2C#N)cc1Cl	409312831	MSPBLCVSHICYSG-HNNXBMFYSA-N	419.333	5.274	50	40	HKGB	
Nc1ccccc1C(=O)N/N=C/c1cn(Cc2cccc3ccccc23)c2ccccc12	6347086	ZZUZSJZXIXYMAO-MUFRIFMGSA-N	418.500	5.189	50	40	HKGB	
Cc1cccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1	58871181	KMZSHUFMSFMAFQ-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
CC(C)(C)OC(=O)N1C[C@H](CCl)c2c1cc(OCc1ccccc1)c1ccccc21	87493473	LYMPZBRSEKAAKW-SFHVURJKSA-N	423.940	6.496	50	40	HKGB	
C=CCOc1c(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)cccc1OCC	98086642	WDSAYPWBHYQPEV-WGOQTCKBSA-N	414.461	5.313	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc(C(=O)O)cc2)ccc1OCc1ccc(F)cc1	408543442	RDRPSZMDLIKRIA-NDENLUEZSA-N	403.409	5.176	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1cccc(Cl)c1	408734778	JPIPKPOMUQENBD-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
N#Cc1ccccc1COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1	408742377	QTSGWLTZQQIVLT-OGLMXYFKSA-N	405.457	5.054	50	40	HKGB	
COc1cc(C)c(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1C(C)C	408742588	BCIJARYGIDDQGL-YBEGLDIGSA-N	413.315	5.435	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1ccc(Cl)c(Cl)c1	408795274	LVYSHNPAFPRFBW-YCRREMRBSA-N	402.064	5.551	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c(Cc2cc(C)cc(C)c2)c1	408874342	BJLTZKRDJVYJSO-HYARGMPZSA-N	412.489	5.154	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccccc2Cl)c(C)n1-c1cc(Cl)cc(Cl)c1	408882246	NDGOVRWIJRFNSJ-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2C)o1	408961505	MQYFBGKWKUTACA-AQTBWJFISA-N	400.434	5.061	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1Cl	409063468	LINPHMQHDJZCPA-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)CCCC[C@H]1CCSS1	524729004	UZOGNMXKVQWVGY-HNAYVOBHSA-N	404.601	5.384	50	40	HKGB	biogenic
CC1=CC[C@@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)CCl)[C@@H]1c1ccccc1	1408485	VZSRXJQSMQBLGG-OZXSUGGESA-N	416.952	6.257	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1)C(=O)N1CCCCC1	1408571	DYECZPFRPRGEIA-WOJGMQOQSA-N	415.320	5.492	50	40	HKGB	
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl	4512439	VRCGXHPBCFNAFB-VGOFMYFVSA-N	410.684	5.696	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(-c2cc(C(=O)O)ccc2Cl)o1	8856967	NOFYTBIGPPDSPX-WJDWOHSUSA-N	420.852	5.406	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2cc(C)n(-c3cccc(Cl)c3C)c2C)cc1	20198205	OAARXOIHLBTDCU-CVKSISIWSA-N	423.944	5.609	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(C(N)=O)cc3)n2)cc1	100601051	VXDMNXYHXOCMSN-CPNJWEJPSA-N	402.523	5.084	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cc4ccccc4cc3O)cc2[C@H](C)CC1(C)C	208304761	CEKKMRZJWHIFTD-AKBIMGJMSA-N	415.537	5.421	50	40	HKGB	
Cc1cccc2cc(/C=N/NC(=O)[C@@H](C)Sc3ccc(Cl)cc3)c(Cl)nc12	408728668	RBQRUCFUSLPIIQ-HJQVIKLGSA-N	418.349	5.481	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408787503	BADRLRAWDDNINE-OQKWZONESA-N	410.473	5.376	50	40	HKGB	
CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408803759	TWOCSRGKSZBBPP-GXDHUFHOSA-N	419.706	5.437	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1	409019048	OQNBBLYZJKGFOP-ZVHZXABRSA-N	422.962	6.470	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1cccn1-c1ccc(Cl)cc1	409217444	VCCHDWHMOIATPB-WSDLNYQXSA-N	404.322	5.027	50	40	HKGB	
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	9096147	VOSBNNBYIMQNBN-ZZEOGJIBSA-N	403.501	5.105	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12)c1cccc(C#N)c1	33364094	KHSAJTXMRXYELM-HAHDFKILSA-N	420.899	7.008	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1F	35131951	VSAVCZMKNAQXKX-BOPFTXTBSA-N	421.302	7.200	50	40	HKGB	
Cn1c([C@H]2CCCCN2C(=O)CCCC[C@H]2CCSS2)nc2ccccc21	56132111	FWGBHZWTNVPBIO-QFBILLFUSA-N	403.617	5.341	50	40	HKGB	biogenic
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)C=O)C(C)(C)CCC1	254568436	DFMMVLFMMAQXHZ-AGMZEMCVSA-N	416.649	8.722	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cc1Br	408746382	SHQREHAQOXEBHK-LCYFTJDESA-N	405.679	5.047	50	40	HKGB	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1	408779932	NWKBCAXZIFTICG-CHHVJCJISA-N	407.272	5.143	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	408791814	CWKNMKBFSKDCRC-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
O=C(N/N=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cc2ccccc2o1	408845863	LUXDZRTVZJSXNW-VYYCAZPPSA-N	411.436	5.339	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408963818	AXWLQLCUUXCFOT-QQXSKIMKSA-N	402.542	5.856	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1)C(=O)NC1CCCC1	409190326	WVOWSIMWTWMRIM-XFFZJAGNSA-N	420.252	5.127	50	40	HKGB	
CC(=O)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2)c2cc(Cl)c3ccccc3c2O1	692235	LOUYSNQVPZOGAP-FQEVSTJZSA-N	409.272	5.542	50	40	HKGB	
N#C/C(=C\Nc1ccc2ncccc2c1)c1nc(-c2cc3ccccc3oc2=O)cs1	1242225	MKLJZCQXJOCDCP-GHRIWEEISA-N	422.469	5.441	50	40	HKGB	
Cc1ccc(N2CSC3=C(C#N)[C@H](c4ccccc4C)CC(=O)N3C2)cc1Cl	4922603	HIFPTVRQYRQNCH-SFHVURJKSA-N	409.942	5.176	50	40	HKGB	
Cc1cccc(/C=N/NC(=O)c2ccc(COc3ccccc3-c3ccccc3)cc2)c1	6867203	QXYIPXHSUMSNDH-VUTHCHCSSA-N	420.512	6.005	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)c(F)c1)c1nc(-c2ccc(Br)cc2)cs1	9075279	QMYPBLOQSCRTMN-XFXZXTDPSA-N	418.266	5.827	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Br)cc2)c1	9201306	KTWXJFRMDYLHSF-ZVHZXABRSA-N	423.310	5.100	50	40	HKGB	
CCCOc1ccc(-c2[nH]nc3c2[C@H](c2ccc4ccccc4c2)C(C#N)=C(N)O3)cc1	9360472	TVRAUKRJXTXFMH-JOCHJYFZSA-N	422.488	5.237	50	40	HKGB	
CCCCCCCCCCCCCCCCCCNC(=O)NNc1ccccc1	104051959	YJKIFLVTNKIMPN-UHFFFAOYSA-N	403.655	7.574	50	40	HKGB	
O=[P@@](Nc1nc2ccccc2s1)(c1ccccc1)c1nc2ccccc2s1	139346920	NFMHAPQFXHLOEX-VWLOTQADSA-N	407.460	5.247	50	40	HKGB	
Cc1ccccc1Cn1cc(/C=N/NC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21	408600116	UTOPKVZZHRMKBJ-STBIYBPSSA-N	423.560	6.059	50	40	HKGB	
CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(N)=O)c2-c2ccccc2)cc1	408740612	CNMVPHLLTGVUDP-MTDXEUNCSA-N	424.504	5.212	50	40	HKGB	
C=CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccc(C)cc2)cc1	408832697	IIFOJJFGITUERO-HAVVHWLPSA-N	424.500	5.685	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C\c2ccc(OCc3cccc4ccccc34)cc2)cc1	409362676	SHNLLKAEFXBIAS-VEILYXNESA-N	408.501	5.420	50	40	HKGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ncc(Cc2cccc(Cl)c2Cl)s1	1454133	PABGIPQFOCMVOX-KPKJPENVSA-N	404.278	5.179	50	40	HKGB	
CC(C)(C)c1ccccc1OCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1	4132250	VOQRCRXPSYISGR-WPWMEQJKSA-N	416.521	5.092	50	40	HKGB	
Cc1cc2occ(CC(=O)NNC(=O)CC34CC5CC(CC(C5)C3)C4)c2cc1C(C)C	6904027	OHTUQHKBTZNOBP-UHFFFAOYSA-N	422.569	5.161	50	40	HKGB	
Cc1ccc2cc(/C=C(\C#N)c3nc4ccccc4s3)c(N3CCCCC3)nc2c1	14358559	WNQFAPGWODFGHG-HMMYKYKNSA-N	410.546	6.207	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Cl)cc1	40006602	UEULAJROMDFDTD-CPNJWEJPSA-N	424.928	5.283	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3nc4ccc(C)cc4[nH]3)o2)cc1	59335822	LMGAOOOUKOVLLW-VBKFSLOCSA-N	414.490	5.470	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	96838759	BAICZENQHSYXNT-LFIBNONCSA-N	406.825	5.152	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4CC(=O)OC(=O)C[C@]4(C)[C@@H]3CC[C@@]21C	104131327	WRMXUZMRKCNROQ-GHULRNIJSA-N	416.646	6.787	50	40	HKGB	
N#C/C(=C/c1c(OCc2ccc(F)cc2)ccc2ccccc12)c1cccc([N+](=O)[O-])c1	108982208	UIZLGVOMINLYII-QNGOZBTKSA-N	424.431	6.530	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc2c(cc1C)N(C(C)C)C(C)(C)C[C@@H]2C	223593470	NVABTEQLAXQQCL-CMPFEXHJSA-N	407.558	5.268	50	40	HKGB	
O=C(Cl)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1	226341005	IKDDBDRKJWGDCA-ZZXKWVIFSA-N	420.517	6.114	50	40	HKGB	
N#C/C(=C\c1cc(Br)ccc1O)C(=O)Nc1cccc(Cl)c1Cl	408762692	QDWAHRGGIVCRRN-UXBLZVDNSA-N	412.070	5.007	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)c1ccc(Cl)cc1Cl	408785843	IKWYACXVKYUBIJ-ZDLGFXPLSA-N	424.283	6.335	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	408806144	ANSZLPVKRQPCLJ-LDADJPATSA-N	407.876	5.741	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c1C	409389890	AWDCKTSEZHOHBD-VUTHCHCSSA-N	421.544	5.685	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)c1cc(C2CC2)nc2ccccc12	1825954	OVOBUOMMTMMTEV-OGLMXYFKSA-N	421.500	5.455	50	40	HKGB	
Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/NC(=O)CC#N)c2-c2ccccc2)cc1	2070760	VKRGEHLEUWOLNA-VUTHCHCSSA-N	418.500	5.484	50	40	HKGB	
N#C/C(=C\Nc1ccccc1C(F)(F)F)c1nc(-c2cccc3ccccc23)cs1	2201815	GETWFQRCVMDWFV-DTQAZKPQSA-N	421.447	6.959	50	40	HKGB	
CCc1ccc(-c2csc(/C(C#N)=C/Nc3ccc(Cl)c(Cl)c3)n2)cc1	2281075	LXCXGPGAOXWQIQ-RVDMUPIBSA-N	400.334	6.656	50	40	HKGB	
CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)C(C#N)=C2SC3=C(CCCC3)N12	4558101	KALBMHMFUOPSIQ-UHFFFAOYSA-N	417.578	6.433	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cccc(OCc2ccc(Cl)c(Cl)c2)c1	9201905	MOAOTKCAQWHJJP-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@H](C)SCc2ccccc2)c1C	28216717	DKVNZNNIEKVAJV-YYHBXHNPSA-N	419.594	5.483	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccc(OCc2cccc(C)c2)cc1	33411305	IZIQHLRJFAZWGU-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2ccc(Cl)cc2Cl)cc(OC)c1OCC(=O)O	59302424	DWIVWZBXVPTIJJ-NVNXTCNLSA-N	418.276	5.258	50	40	HKGB	
CN(C)C(=O)/C(C#N)=C\c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1	59334096	SARHUWSCGDBYIW-AUWJEWJLSA-N	409.700	5.221	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C)cc1	59473396	BDIZKVVABXHMSQ-KOEQRZSOSA-N	408.954	6.095	50	40	HKGB	
CC(C)(Cl)[C@H](Cl)CC/C(CBr)=C(\Cl)CBr	73242989	NWPBPKLFGPSJGT-FCZSHJHJSA-N	401.397	5.674	50	40	HKGB	
COc1cc(COc2ccc(/C=C/C(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)ccc1C	103592890	OMDSPHUFDWVMJR-VGOFMYFVSA-N	419.433	5.110	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1	408548603	JOBYBMILRCNBJN-MYYYXRDXSA-N	423.487	7.021	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1C	408735415	RPNOWJMVKHVICI-CIAFOILYSA-N	417.940	6.218	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)c1	408746277	YCHXZFYLOYSZAL-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1	408774785	CYHZGJSHJSBUQP-YVLHZVERSA-N	420.856	5.201	50	40	HKGB	
CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc(Sc3ccccc3)o2)cc1	408787755	FTRYORGAWMZXRI-SAPNQHFASA-N	418.474	5.153	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2C)cc1OCC	408804090	VPKXSINNFDRCKN-WOJGMQOQSA-N	412.917	5.690	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)c1	408814453	PFZJKVXZWSHQNZ-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)cc1	408852710	MQUAAPBEFBZILC-QNGOZBTKSA-N	423.491	5.991	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc(C#N)cc2)ccc1OCc1ccccc1Cl	409371426	FMWSQEDUTVMVTF-XKZIYDEJSA-N	414.892	6.254	50	40	HKGB	
CC(/C=C\C=C\c1ccccc1)=N\NC(=O)[C@H]1CC1(c1ccccc1)c1ccccc1	4567692	CYJYPIXUTIODNJ-VGHANRELSA-N	406.529	5.754	50	40	HKGB	
CC/C(=N\NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1	5414899	TUEPTLZLFUPRMV-YYDJUVGSSA-N	408.954	6.176	50	40	HKGB	
C=CCSC1=C(C#N)[C@H](c2cccs2)C(C(=O)Nc2ccccc2OC)=C(C)N1	8934519	NFXJVCJBRILDCZ-HXUWFJFHSA-N	423.563	5.011	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1Cl	9845876	DSVVJVMJADNKEW-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1OCC	23218463	ABJFLOJMPPFPSI-LFIBNONCSA-N	414.889	5.082	50	40	HKGB	
Cc1ccc(NC(=O)COc2ccc(/C=C(/C#N)c3ccccc3F)cc2Cl)cc1	34896707	WLMDJPFBYWNFSL-PDGQHHTCSA-N	420.871	5.869	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C/c3ccccc3OCc3ccccc3Cl)[nH]c2cc1C	408542477	JBZCGECZZHCFGV-DEDYPNTBSA-N	413.908	6.476	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(N)=S)ccc1OCc1ccc(Cl)c(Cl)c1	408543365	OIXCJYRZWIPQPQ-VGOFMYFVSA-N	407.322	5.164	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1OC	408580204	BEJPAMAVVMJVMX-UDWIEESQSA-N	405.881	6.000	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC#N)c(Cl)c2)c1C	408795836	NHCNMVMRMAYUSM-OVCLIPMQSA-N	400.265	5.058	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)cc1C	408802092	CWIMGDYZJRXZNN-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
COc1cccc2c(/C=C(\C#N)C(=O)Nc3ccccc3C)c(-c3ccccc3)[nH]c12	408840213	CJRFLKVXVYDYGY-XDJHFCHBSA-N	407.473	5.698	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1cccc(F)c1	408876232	KEEGXRYCAISOBB-KGENOOAVSA-N	418.899	6.178	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	409133694	MIUFNNGRZYRZQF-DUYBAWCLSA-N	404.535	5.205	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1)c1cccc2ccccc12	409314197	FEVKTBQQADPNEW-JCMHNJIXSA-N	406.441	6.391	50	40	HKGB	
CCOP(=S)(OCC)Oc1nsc(Nc2ccc(C(C)C)cc2)c1C#N	2581905	XBGZTGONMRTDNH-UHFFFAOYSA-N	411.489	5.558	50	40	HKGB	
O=C(CSc1ccc(Cl)cc1)N/N=C/c1ccccc1OCc1ccccc1	3109559	MZCHTROEBZXRRD-ZVHZXABRSA-N	410.926	5.161	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2ccccc2)c1)C(c1ccccc1)c1ccccc1	4656930	RPBUGDSHFONKJV-ZTKZIYFRSA-N	420.512	5.548	50	40	HKGB	
O=C(COc1cc(Cl)ccc1Cl)N/N=C\c1ccc(-c2ccccc2Cl)o1	8448765	JKPLWUKLDNBOGC-RMORIDSASA-N	423.683	5.436	50	40	HKGB	
C/C(=N\NC(=O)COc1ccc(Br)cc1)c1ccc(-c2ccccc2)cc1	8873623	FKHWJDAXRHZPET-LFVJCYFKSA-N	423.310	5.035	50	40	HKGB	
CC1(C)[C@]2(C(=O)Nc3ccc(Cl)c(Cl)c3)CC[C@@]1(C)C(=O)[C@@H]2Br	11990789	CAZOMVNBOBEWSG-AFAVFJNCSA-N	419.146	5.091	50	40	HKGB	
CCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(C)c(C)c2s1	20132544	OOZTXKIOJJKDSS-VIFPVBQESA-N	420.170	5.178	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cc3ccccc3cc2O)c(C)n1-c1ccccc1Cl	33659710	UISIJANYGPKAQS-VULFUBBASA-N	417.896	5.370	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccccc3-n3cccc3)cc2[C@@H](C)CC1(C)C	223529401	IWTUXSIYFNQEKC-WRGIWNTCSA-N	414.553	5.353	50	40	HKGB	
CCCCCCOc1c(Cl)cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1Cl	408538843	CJRSTAUQAVFYDB-GZTJUZNOSA-N	419.308	6.925	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccccc2)c(Br)c1)c1ccc(Cl)cc1	408737935	KQJVYFVFUPXKNB-UNOMPAQXSA-N	424.725	6.746	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)cc1	408780632	GSASZQHEPZNAPQ-MOSHPQCFSA-N	414.465	5.110	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cc(Cl)ccc3C)c2C)cc1	408785957	CNPZZNCANTZZJW-NDENLUEZSA-N	403.913	5.910	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3cccc(F)c3)c(Cl)c2)cc1	408878815	BMTZFGLRSJFCIC-FYJGNVAPSA-N	418.899	6.178	50	40	HKGB	
FC(F)(F)c1ccc(CBr)cc1C(F)(F)C(F)(F)C(F)(F)F	642887159	SAUPEHZUOXGPBT-UHFFFAOYSA-N	407.045	5.890	50	40	HKGB	
Cc1cccc(N/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C	2289997	QCBSPEIIBIWHQP-KQWNVCNZSA-N	407.542	7.071	50	40	HKGB	
Cc1c(/C=C(\C#N)c2nc3ccccc3s2)c(O)n2c(nc3ccccc32)c1C#N	5322339	LPCJWNDJYUWTEC-GXDHUFHOSA-N	407.458	5.047	50	40	HKGB	
N#CC1=C(N)Oc2c(Cc3ccccc3Cl)cccc2[C@H]1c1ccccc1Cl	6258637	DYXAHHBTUBAZLU-OAQYLSRUSA-N	407.300	5.802	50	40	HKGB	
COc1cc(/C=N\NC(=O)c2cccc(C)c2)ccc1OCc1cccc2ccccc12	83318143	SPMBXZRZSWONIV-QRQIAZFYSA-N	424.500	5.500	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12)c1nc2ccccc2[nH]1	208675446	UQHNFAMYUWLVPH-AQTBWJFISA-N	419.444	5.538	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H](Cl)[C@@H](Cl)C[C@@H]3[C@@]1(Cl)C2(Cl)Cl	253637596	BIWJNBZANLAXMG-OXSKZXFYSA-N	409.782	5.683	50	40	HKGB	in-vitro
Cc1cc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c(C)n1C1CCCC1	408780376	XWNIWMCIGCKJIK-BOPFTXTBSA-N	412.331	5.528	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)NCCc1c[nH]c2ccccc12	1092558	KBEHXQPTCIFJIA-JXAWBTAJSA-N	413.502	5.178	50	40	HKGB	
O=C(N/N=C/c1cn(-c2cccs2)nc1-c1ccccc1)c1ccccc1Cl	3230109	PVTUMZHWOKQGQX-YDZHTSKRSA-N	406.898	5.018	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)cc1	3284463	VERRMWAIPZJPIX-MTDXEUNCSA-N	423.516	5.336	50	40	HKGB	
C/C(=N\NC(=O)COc1ccccc1C(C)(C)C)c1ccc(-c2ccccc2)cc1	4724418	YEIKTAQYKAUPOJ-ZXVVBBHZSA-N	400.522	5.570	50	40	HKGB	
CC(C)CCOC(=O)c1ccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1	4950304	ZWVDWIJQSRTBGO-RAYSISKGSA-N	406.482	5.152	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c1C	59202166	GAJUPMAEFMARMH-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)c(C)c1	208231510	BXVBUOJUEAOTEN-VFAFIFLJSA-N	401.554	5.880	50	40	HKGB	
COc1ccc(C)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(C)c2)c1C	223167598	KDXQALQPFIPGIT-HMAPJEAMSA-N	413.521	5.574	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3Cl)c2)cc1C	408568568	VEMNDQYVGVVFDZ-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)cc1Cl	408581536	XRJUETQLTXPMGX-GZTJUZNOSA-N	414.719	7.290	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1Br	408743533	GMENMYLTUOEWLG-ZSOIEALJSA-N	419.706	5.355	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(F)c(Cl)c4)c3C)[nH]c2cc1C	408820611	XKFUXAGQALDHOD-ZDLGFXPLSA-N	418.903	6.444	50	40	HKGB	
CC(C)(C)c1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(C(C)(C)C)c1O	408986053	OQBKSUYCDGRVNT-MHWRWJLKSA-N	410.945	6.186	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409075810	UMJXUQDYQYKHIQ-JXAWBTAJSA-N	404.922	6.345	50	40	HKGB	
N#C/C(=C/c1cn(CCOc2ccccc2)c2ccccc12)C(=O)NC1CCCCC1	409211898	PBUMYPSWFTXEGX-JZJYNLBNSA-N	413.521	5.076	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1OC	4065906	AJKUOAPIOIQEAW-JCMHNJIXSA-N	424.525	6.558	50	40	HKGB	
O=C(Cn1ccc2ccccc21)N/N=C(\c1ccccc1)c1ccc(Cl)c(Cl)c1	9553941	NIOCXNGVOLFGQV-SLEBQGDGSA-N	422.315	5.517	50	40	HKGB	
Cc1ccc(NC(=O)COc2cccc(/C=C(/C#N)c3ccc(Cl)cc3)c2)cc1C	33793067	LOUIULCIXUADEW-BKUYFWCQSA-N	416.908	6.039	50	40	HKGB	
CCCOc1ccc(/C=N\NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1	35002865	DVHDGHNLSPSTGO-IMRQLAEWSA-N	409.489	5.455	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2c1	96476435	HSGSPKULVFSSEI-LGMDPLHJSA-N	420.896	5.836	50	40	HKGB	
Cc1cc(N(CCCl)CCCl)ccc1/C=N\c1ccccc1-c1ccccc1	104372285	OFIFGNIXFQSCTA-IMRQLAEWSA-N	411.376	6.697	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C(/C#N)c3cccc(Br)c3)cc21	223480537	LJUSYNXYMPZURS-JAIQZWGSSA-N	421.382	6.924	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc3ccccc3c2)cc1)c1ccc(C(=O)O)cc1	408541062	DNVQPOCMKRLPNN-MYYYXRDXSA-N	405.453	6.181	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)c3nc4cc(C)c(C)cc4[nH]3)o2)cc1	408542914	LPLIVZIGJKHNPF-CPNJWEJPSA-N	411.461	5.681	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1ccc2ccccc2c1	408548608	JRGQYEXEQOCDHN-XSFVSMFZSA-N	400.275	6.926	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1	408582338	NAWMOZDPADXUQY-XSFVSMFZSA-N	420.306	6.101	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4[nH]3)o2)cc1[N+](=O)[O-]	408599643	YBGVCDGZEGNFRD-LFIBNONCSA-N	402.435	5.696	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(-c4cc(C(=O)O)ccc4Cl)o3)[nH]c2cc1C	408761824	LVGJOYJRTBEMPD-DHDCSXOGSA-N	417.852	5.856	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1cccc(Cl)c1	408764106	LFOLQHHHWRIVEL-JVWAILMASA-N	415.924	5.594	50	40	HKGB	
CCOc1cc(Cl)c(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	408794623	JBIDNPHMGKZJBT-RIYZIHGNSA-N	405.281	5.336	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408810989	NEVHPTKFQJPVJG-OVCLIPMQSA-N	419.308	5.645	50	40	HKGB	
CCOc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C(C)(C)C)cc2)cc1C(C)C	408848172	QMSCFGCMKPLPJY-XSFVSMFZSA-N	404.554	6.360	50	40	HKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccc(Cl)cc2)o1	5741285	DCHBJMJUWQOXHH-VULFUBBASA-N	403.869	5.315	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)cc2Cl)c1C	9201439	HVOWEQNCEAIABG-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccccc2C)ccc1OCc1ccccc1Cl	13586140	UOKZNXKFWIOYLR-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	59272364	FKGFJIIFYHFHBB-LICLKQGHSA-N	424.972	6.495	50	40	HKGB	
COc1ccc2[nH]c(C[PH](c3ccccc3)(c3ccccc3)c3ccccc3)cc2c1	104231353	KIIHHHLGZPNMBU-UHFFFAOYSA-N	423.496	5.403	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N\NC(=O)COc3cccc4ccccc34)cc21	208208624	VLNCQXLRXSJQEB-GEGDGZKASA-N	415.537	5.091	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C	208237761	RPOAADPWSBSWPJ-YLRSXTQRSA-N	421.972	6.170	50	40	HKGB	
Cc1ccc(Cn2c(C)c(/C=N/NC(=O)Cc3ccc(C)cc3C)c3ccccc32)cc1	216049739	UXUULSLUCQQQDO-STBIYBPSSA-N	423.560	5.616	50	40	HKGB	
COc1cccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1	408763619	OIGRRCVMKUXICL-WGOQTCKBSA-N	410.558	5.079	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	409132504	JWCHJKLVCGURSM-YNYZQSIGSA-N	419.594	5.650	50	40	HKGB	
COc1cc(N/C=C(\C#N)c2nc(-c3ccccc3)cs2)c(C(C)=O)cc1OC	1252605	NYAPQXSQTNWETH-FOWTUZBSSA-N	405.479	5.006	50	40	HKGB	
CCc1ccc([C@H]2CC(=O)N3CN(c4ccc(C)c(C)c4)CSC3=C2C#N)cc1	4922824	WVCPPNKMMOURLN-OAQYLSRUSA-N	403.551	5.085	50	40	HKGB	
CCc1ccc([C@@H]2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)cc1	4922872	AVXLMBMCAONXEK-IBGZPJMESA-N	409.942	5.122	50	40	HKGB	
O=C(Nc1ccccc1C(=O)N/N=C/c1c(Cl)cccc1Cl)c1cccs1	59416287	DWVDSKOWOCFYRD-SSDVNMTOSA-N	418.305	5.071	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@H](c2ccc(OC)cc2)c2cc(Cl)c3ccccc3c2O1	102832156	JUZPKZGZIGEEDY-QESWDSMOSA-N	418.880	5.826	50	40	HKGB	
CCCCCCCCCCCCCCCCN(/N=C/c1ccc([N+](=O)[O-])o1)C(N)=O	104375188	LDCALDXEPCBOTC-LYBHJNIJSA-N	422.570	6.384	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc3c(cc2Cl)N(C)C(C)(C)C=C3C)cc1	208473451	KSJSFQXDWVYRIT-ODLFYWEKSA-N	419.956	6.080	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)o1	408764446	WVFSINXRNCAOFX-XMHGGMMESA-N	423.428	5.862	50	40	HKGB	
C=CCn1c(C)c(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)c2ccccc21	408819276	RCWONMDJNLNYLB-TURZUDJPSA-N	407.517	5.418	50	40	HKGB	
N#C/C(=C\c1ccc(Cc2ccccc2F)c(Cl)c1)C(=O)Nc1ccc(O)cc1	408877984	ZMMQJVFSNKIJQX-WOJGMQOQSA-N	406.844	5.321	50	40	HKGB	
COc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)c(Cl)c3)=C2C#N)cc1	409301193	DEWAYQNNZGQTHF-HNNXBMFYSA-N	419.333	5.274	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1cccc([N+](=O)[O-])c1	409390025	DEWNUXUQFDKKAY-JAIQZWGSSA-N	418.424	5.776	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)cc(Cl)c1OCc1ccc(F)cc1	409394196	XADBLOUVBSIGFG-NVMNQCDNSA-N	411.835	6.270	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/C(Br)=C/c3ccccc3)n2)cc1	3227813	JIKDJOFBGQVBRD-WDTMJSPRSA-N	423.335	6.162	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Nc2ccccc2)cc1)=N\NC(=O)c1ccc(Cl)cc1	5249895	AHPGEHILAPPSQY-JVWAILMASA-N	420.900	5.218	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2cc(Cl)ccc2O)c2ccccc2n1Cc1ccccc1	5658710	FFVWPNRKFVGXHU-VULFUBBASA-N	417.896	5.121	50	40	HKGB	
Cc1nc(/C(C#N)=C\c2ccc(Cl)cc2Cl)sc1/N=N/c1ccc(F)cc1	13408140	QFQZTMHAMKXJFM-ZIIJSAJYSA-N	417.296	7.377	50	40	HKGB	
Cc1ccc(OCCOc2ccc(Cl)cc2/C=N/NC(=O)Nc2ccccc2)cc1	15224891	BVYMRTYLMIWUKZ-PCLIKHOPSA-N	423.900	5.262	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	20197407	YOMWATJLDMIIQN-ZMOGYAJESA-N	417.292	5.806	50	40	HKGB	
Clc1ccc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1	33376853	RUXRATSOLYSMAL-FZDIXFNVSA-N	408.792	5.469	50	40	HKGB	
COc1cc(OC)cc(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1	108143028	CSPDXQOIZYTOOS-FOKLQQMPSA-N	419.264	5.035	50	40	HKGB	
O=C(Nc1ccc(OCCBr)cc1)C1(c2ccccc2F)CCCCC1	225544735	OUNNYYUQJNIXHF-UHFFFAOYSA-N	420.322	5.440	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1	408579563	HWWJXLPDYVNDQI-VCHYOVAHSA-N	414.719	7.290	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1OCc1cccc(C)c1	408740373	BKVISDLQAQAZGP-JCMHNJIXSA-N	412.489	5.518	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	408744573	GBKAVTAFXFKKBU-ATVHPVEESA-N	406.526	5.541	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2C#N)cc1	408795428	VJSCULRMRBTFAM-HZHRSRAPSA-N	407.473	5.245	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)cc3)c2C)cc1	409113502	GMOBTMDFDBHRSR-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3F)c2C)cc1	409147789	NRAHPPNZNPZGMZ-MJDKSPQASA-N	409.530	5.173	50	40	HKGB	
CCC(=O)Nc1sc(/C(C#N)=C/c2cc(OC)ccc2OC)nc1-c1ccccc1	4981858	XBVODAFJVYHWFP-SFQUDFHCSA-N	419.506	5.240	50	40	HKGB	
N#CC1=C(SCc2ccccc2)NC(=O)C[C@H]1c1cccc(Oc2ccccc2)c1	9015452	WANZATQYARABCN-QFIPXVFZSA-N	412.514	5.751	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1Cl	33763042	PFGCNUJROJZRAE-ODLFYWEKSA-N	420.852	5.900	50	40	HKGB	
Cc1ccc(COc2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)cc2)cc1	207148898	YQEKWVXQCCIEPR-STZFKDTASA-N	416.908	6.082	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)c(C)n1-c1ccc(Cl)cc1	408737833	HTGODSBWPHSLHM-JVWAILMASA-N	415.924	5.594	50	40	HKGB	
C#CCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccc(C)c(Cl)c1	408811538	RFCYZLXLEVNGRJ-QGOAFFKASA-N	400.865	5.359	50	40	HKGB	
CC[C@@H](C)n1cc(/C=N\NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c2ccccc21	408905389	YHOJXENKQAESFO-GKGMIHAQSA-N	404.426	5.031	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)cc1OC	409017362	NIVDQYAOZSZBHU-QFEZKATASA-N	424.884	5.152	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cc(Cl)c2OCC(C)C)cc1	409044931	DKEQDZUEGJFBJP-LZYBPNLTSA-N	403.309	5.882	50	40	HKGB	
Cc1ccc(NC(=O)[C@H](Br)[C@@H](Br)c2ccccc2)c(C)c1	1801161	NHMWGCDTQAYUQC-JKSUJKDBSA-N	411.137	5.142	50	40	HKGB	
O=C(N/N=C/c1ccc2ccccc2c1)c1ccccc1OCc1ccc(Cl)cc1	3371016	CGUYPCRTUCUARN-JVWAILMASA-N	414.892	5.836	50	40	HKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1ccc(CSc2ccccc2)cc1	4660362	ZGDFPSIWPMMNFY-VULFUBBASA-N	414.452	5.762	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1	5747898	HAHAGKKXUIIJSR-XNTDXEJSSA-N	407.813	5.362	50	40	HKGB	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1nc2ccccc2s1	13302242	PVMOWHHNDILBCC-NBVRZTHBSA-N	422.488	6.352	50	40	HKGB	
O=C(N/N=C\c1ccccc1OCc1ccccc1)c1cc2cc(Cl)ccc2o1	30902163	XGCAAVTVDGLHLP-QFEZKATASA-N	404.853	5.429	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1-n1cccc1	44835475	ONBLEQJROWSAJM-MTDXEUNCSA-N	418.500	5.244	50	40	HKGB	
O=C(Nc1ccccc1)c1sc(=S)n(-c2ccccc2)c1/N=C(\O)CCl	53944179	OONDWJVORUXUCR-UHFFFAOYSA-N	403.916	5.347	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)c1	59447419	NPNJPRQMFIWEJV-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Br[C@H]1c2ccccc2-c2ccccc2-c2ccccc2[C@H]1Br	68565027	AZZRGDBOTJIXLH-BGYRXZFFSA-N	414.140	6.906	50	40	HKGB	biogenic
Cc1cc(Cl)nc(N/C=C(\C#N)C(=O)c2cc(-c3ccc(Cl)cc3)oc2C)n1	96307515	VTPGRXNOPHIMSW-GXDHUFHOSA-N	413.264	5.363	50	40	HKGB	
CN(CC#N)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C	118918449	JOKRPORJXQCDAP-QAQMRWEASA-N	421.025	5.004	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)c(Cl)c1	408585729	HSBZDFZHBGIIGD-NTUHNPAUSA-N	409.099	7.624	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)c(Cl)c1)C(=O)Nc1ccccc1	408797930	UKEJMVGUQUJYKP-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(N)=O)cc(Cl)c1OCc1c(C)ccc2ccccc12	408882692	NNCWVJQQLOXLAV-VCHYOVAHSA-N	420.896	5.172	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2OCc2ccccc2F)cc1Cl	408987989	GOECQVHMXSVTAI-UNOMPAQXSA-N	420.871	5.912	50	40	HKGB	
N#CC1=C(N)Oc2c(ccc3ccccc23)[C@@H]1c1ccc(OCc2ccccc2F)cc1	686596	KZNDVUJGLMDUAV-VWLOTQADSA-N	422.459	5.776	50	40	HKGB	
N#CC(C#N)=C/C=C(\Sc1ccc(Br)cc1)c1ccc(Cl)cc1	2572978	HPJOYGDOYMAMDL-ZDLGFXPLSA-N	401.716	6.209	50	40	HKGB	
COc1ccc(N/C=C(\C#N)c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1	4815274	NBFKCEOHOXCILY-JLHYYAGUSA-N	402.306	6.102	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	20765030	ZAVRZKLCHMBNCL-WPWMEQJKSA-N	411.505	5.161	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc3ccccc3c2)ccc1OCc1ccc(F)cc1	33785532	NTLFHMOUOVOORB-OYKKKHCWSA-N	409.460	6.631	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CCSc3ccccc3)cc2)cc1	59473478	LGTUBJMZUWJKLT-KOEQRZSOSA-N	404.535	5.207	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1	108971554	FABJWNPUXOTVOS-GRSHGNNSSA-N	420.852	5.900	50	40	HKGB	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)c(OCC)c1	408792494	KGQNVOFWYRWOOI-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
O=C(Cc1c2ccccc2cc2c1ccc1ccccc12)N(CCCl)CCCl	1593133	WWPGVJSCMVUKJO-UHFFFAOYSA-N	410.344	5.995	50	40	HKGB	
CC[C@@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3ccc(C)o3)c3ccccc3n2)cc1	2109560	JODOYUNJMXXLGI-AKBIMGJMSA-N	411.505	6.081	50	40	HKGB	
CCn1c2ccccc2c2ccc([C@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21	4451041	JIUMSXPLAJPFBW-QHCPKHFHSA-N	411.505	5.265	50	40	HKGB	
CC[C@@H](Br)C1=Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1	4481482	ACBXGPKCEZZEFQ-HXUWFJFHSA-N	406.323	6.212	50	40	HKGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cccc(Oc2ccccc2)c1	5739258	XVKUBWGLADSXRI-RTMGKINMSA-N	409.489	5.583	50	40	HKGB	
CCOC(=O)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(CC)cc2)cs1	6354165	VKFVTPGNMQRHJL-NBVRZTHBSA-N	403.507	5.526	50	40	HKGB	
C/C(=N/NC(=O)c1cc(-c2cccc3ccccc23)n[nH]1)c1ccc2ccccc2c1	13618361	SINGEGMSZHWLET-PKAZHMFMSA-N	404.473	5.537	50	40	HKGB	
N#C/C(=C/c1ccc(Br)s1)C(=O)Nc1cccc(C(F)(F)F)c1	35240597	VNCJBARPGSGBST-TWGQIWQCSA-N	401.207	5.075	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl	59535606	APEUAHXRFXJOAI-UNOMPAQXSA-N	420.852	5.900	50	40	HKGB	
C=C(C)C(=O)O[C@]1(C#CC(C)(C)OOC(C)(C)CCC)C[C@@H]2CC[C@@]1(C)C2(C)C	70686822	LTVYYZVESNBABP-PNTFMKQHSA-N	404.591	6.000	50	40	HKGB	
CC(C)Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(F)cc3[N+](=O)[O-])n2)cc1	96751835	NBGYQEPRGZULDG-ATVHPVEESA-N	422.485	6.032	50	40	HKGB	
CCO/C=N/C1=C(C#N)[C@@H](c2ccc(C)cc2)[C@@H]([N+](=O)[O-])[C@H](c2ccccc2)S1	103838626	TWLQYWPBHJODKX-OKHNRZFSSA-N	407.495	5.012	50	40	HKGB	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1OC(C)C	212593846	OXBZBJBXHGSTJB-GDNBJRDFSA-N	404.388	5.047	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc2ccccc2c1	408723150	QUOMQVDCDOYTTD-DHRITJCHSA-N	409.272	6.171	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(CC)cc3)c2C)cc1	408744020	JEDSKUWSQJTSRB-JWGURIENSA-N	413.521	5.601	50	40	HKGB	
Cc1c(Cl)cccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)c1C	408746849	WRTHLFCTANLYDU-PDGQHHTCSA-N	424.331	6.255	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1cc(C)cc(C)c1	408872281	CLFKGBFZKFNFBY-ZVHZXABRSA-N	410.517	5.757	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408968524	WRXYFMXERHXJIR-WGOQTCKBSA-N	403.526	5.164	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1cccc2ccccc12	409081399	PXGUMZCEHKMLRE-WGOQTCKBSA-N	416.933	6.408	50	40	HKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cn(Cc3ccccc3)c3ccccc23)cc1	409260182	MDSDEMGNAPMKDK-RDRPBHBLSA-N	423.560	5.680	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC	2670448	OYUVMXFYFAOHAQ-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1ccc(C)s1	4651575	KHSOYYCVYUOLSL-OVVQPSECSA-N	413.546	6.043	50	40	HKGB	
COC(=O)N/N=C/c1cc(Cl)ccc1OCCCOc1cc(C)ccc1C(C)C	4674615	GYQMVKSMJAJEAB-ZVHZXABRSA-N	418.921	5.310	50	40	HKGB	
COc1cccc2cc(C(=O)N/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)oc12	208212960	MQHMXYUDBBRCQO-HEOQCTJZSA-N	419.525	5.236	50	40	HKGB	
CCCCCCCCOc1ccc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	408539292	GOYASEAEVXALBC-HMMYKYKNSA-N	412.917	7.052	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1)C(=O)Nc1ccccc1	408792357	AYBPODPMAIKTLE-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2ccccc2F)c(C)c1	408876500	LOYFJKAJHVUARM-FYJGNVAPSA-N	418.899	6.232	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OCc2ccccc2F)c1	408891133	MCCSKLWKYDCSCI-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
CC(/C=N/NC(=O)c1cc(-c2ccc(C(C)C)cc2)nc2ccccc12)=C\c1ccco1	2759541	CDEHTOGHQVDUGZ-OFOLPNBVSA-N	423.516	6.437	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccccc1F	28216767	NEEQKFKLCZMIDB-VBYICHLGSA-N	409.530	5.005	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3C)c3ccccc32)c1	59202237	URQRRQNHNMXAJL-HAHDFKILSA-N	419.528	6.161	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(N2Cc3ccccc3C2)cc1	408729656	HOXGACYZLUHDIX-BRJLIKDPSA-N	410.304	5.278	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N/NC(=O)Cc3ccc(Cl)cc3)c3ccccc32)cc1	409374271	ZVRVJTFKYOFVHP-JFLMPSFJSA-N	415.924	5.344	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)[nH]c2c1	409392956	ULUQZUJDQDJFAH-WQLSENKSSA-N	420.812	5.457	50	40	HKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1	985879	HUZFGXUSKFSQBA-SFHVURJKSA-N	422.891	5.286	50	40	HKGB	
CN(CCCl)Cc1ccc(-c2c3ccccc3cc3c2ccc2ccccc23)cc1	1705587	ROPGKVNEVJUVIG-UHFFFAOYSA-N	409.960	7.484	50	40	HKGB	
Cc1ccc([C@@H]2CC(=O)NC(SCc3ccc(Cl)cc3Cl)=C2C#N)cc1	6477647	CKMPSSPZOFUQBY-INIZCTEOSA-N	403.334	5.574	50	40	HKGB	
Cc1c(/C=N/NC(=O)c2ccccc2O)c2ccccc2n1Cc1ccccc1Cl	14134738	QYMKMFQRSWOEIU-VULFUBBASA-N	417.896	5.121	50	40	HKGB	
Cc1cccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)c1	59116687	AEVVWJADTZMGAN-DEDYPNTBSA-N	402.881	5.773	50	40	HKGB	
CC(C)Oc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1cccc(C(F)(F)F)c1	59297039	XBJQJSIGZHCSNB-RIYZIHGNSA-N	408.807	5.692	50	40	HKGB	
Cc1cccc(C(=O)N/N=C\c2ccccc2OCc2ccc(Br)cc2)c1	83327485	PYQXCFPJILFAFG-OYKKKHCWSA-N	423.310	5.100	50	40	HKGB	
CCCCCCCCCCCCCC(=O)NNC(=S)Nc1ccccc1C#N	97995597	AKABKZWNDVMBMR-UHFFFAOYSA-N	402.608	5.577	50	40	HKGB	
CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(OCC)cc2)cc1	98001330	DVIFXFOGHOOIIU-XIEYBQDHSA-N	409.530	5.148	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2cccc(Cl)c2)c1)c1ccc(Cl)cc1Cl	408581096	UKMYRWQRBAWFCN-RQZCQDPDSA-N	414.719	7.290	50	40	HKGB	
N#C/C(=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1)c1ccc(Cl)c(Cl)c1	408586708	OWMJTZAJKHITKY-GHXNOFRVSA-N	419.651	6.879	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(Cl)cc1	408735889	YZHIXSVRKCOLDY-GZTJUZNOSA-N	410.304	5.947	50	40	HKGB	
Cc1ccc(COc2ccccc2/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1C	408844137	HCFHRBHHXBWPNE-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2ccc(-n3cccc3)cc2)c1C	408965016	FJCPCRMQOUIKKQ-IMRQLAEWSA-N	410.521	5.211	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)c2cc3cc(Cl)ccc3o2)o1	409018777	USPNLZWGTILTKY-FOKLQQMPSA-N	423.812	5.327	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2Cl)cc1)C(=O)NCc1cccs1	4512840	HERJBKBBFKHJBB-LDADJPATSA-N	408.910	5.204	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3ccccc3c2)ccc1OCC(C)C	22632964	QIRXHMQPLOQNJL-CIAFOILYSA-N	400.478	5.429	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(Cc3cccc(F)c3)c3ccccc23)cc1C	59232957	YPUGSFYYYDHUDS-KGENOOAVSA-N	423.491	5.991	50	40	HKGB	
Cc1ccc([C@@H]2C(C#N)=C(SCC(=O)c3ccc(F)cc3)NC3=C2CCCC3)o1	63805043	HKPKQHSZMJZDAM-QFIPXVFZSA-N	408.498	5.593	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3cc4cc(Cl)ccc4o3)cc21	208207217	VVWMHFFFMGRWJF-XHCMJAMOSA-N	409.917	5.572	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc3ccccc23)c2ccccc12)c1cccc(Cl)c1	408599255	QXRIYKFLLOJPLY-HZHRSRAPSA-N	418.927	7.560	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1	408782977	ZWGKQWXFAPYOPB-ZHZULCJRSA-N	403.913	5.856	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cn(Cc2ccc(F)cc2)c2ccccc12	408809894	SMCUFGRDQSNNJQ-RMOBQLPBSA-N	415.512	5.431	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c1C	408859366	WKHUVPRSEXVZFC-HMAPJEAMSA-N	408.467	7.048	50	40	HKGB	
CC(=O)c1cccc(-c2ccc(/C=C(/C#N)C(=O)Nc3ccc(C)c(Cl)c3)o2)c1	408985731	YFBZHHVKCMXWAS-WQRHYEAKSA-N	404.853	5.657	50	40	HKGB	
Cc1ccc(-n2cccc2/C=N\NC(=O)COc2cccc3ccccc23)cc1Cl	409014784	YMYCQZCWVCIKRG-YSMPRRRNSA-N	417.896	5.121	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1	2859919	GYPUPCQKTWWOFF-LFIBNONCSA-N	417.421	5.108	50	40	HKGB	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13551195	JSHJTALYVZOKIB-YFWJGUKRSA-N	404.407	5.247	50	40	HKGB	
CCO/C(=C/C=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C	118926094	MXQFLKHCOJJHMA-MVKIZLOISA-N	414.586	5.616	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc2[C@H](C)CC1(C)C	208304967	AXOAEOYAZPOITM-AZRQGOPLSA-N	418.368	5.869	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)c([N+](=O)[O-])c1	408727311	VSNLJQPWJWETDZ-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1	408745154	KICATGVVXMCQTL-UNOMPAQXSA-N	419.912	5.610	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cc2ccccc2Cl)c(C)c1	408867638	KXZDFICBZYKLMA-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1C	408968505	ZUOZMLDMOLDQQK-DICXZTSXSA-N	411.509	5.415	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408982089	FOOWHQAMTSVGGU-STZFKDTASA-N	417.940	6.164	50	40	HKGB	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3cccc(F)c3)c2C)ccc1Br	409391547	IOYGXIFXMSNAOW-ODLFYWEKSA-N	409.302	6.368	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(SC(F)F)cc1	2632102	AHLBZQDPZGMKFZ-SDNWHVSQSA-N	414.408	5.946	50	40	HKGB	
CC/C(=N\NC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12)c1cccs1	4651593	IBEBITJFNBLPLX-SZXQPVLSSA-N	413.546	6.124	50	40	HKGB	
CCCCCCCCCCCC(=O)N/N=C/c1coc2ccc(Cl)cc2c1=O	8399326	DQHWLWOJHLMASP-BUVRLJJBSA-N	404.938	5.817	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)ccc1C	59201310	LXQZLYOFGOVIEI-GZTJUZNOSA-N	413.315	5.400	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C	253618463	OTVRYZXVVMZHHW-KPCFCYOOSA-N	405.110	8.635	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(F)cc3[nH]2)ccc1OCc1ccccc1C#N	408567786	PSUYJIONOSYZAA-GRSHGNNSSA-N	424.435	5.225	50	40	HKGB	
CCCOc1ccc(Br)cc1/C=C(\C#N)c1ccc(Br)cc1	408580729	RKBIPGJAIFGMFY-XNTDXEJSSA-N	421.132	6.065	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(-c3cccc(C(C)=O)c3)o2)c1	408744167	DHUGVQYUXBCQEK-UYRXBGFRSA-N	400.434	5.094	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)n(Cc3ccccc3)c3ccccc23)cc1	408744343	FAQDNAMASFVVGZ-PGMHBOJBSA-N	421.500	5.552	50	40	HKGB	
Cc1ccc2ccccc2c1COc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1	408807867	IDAKMAKSIWWVGF-HAVVHWLPSA-N	418.496	6.273	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3F)c(Cl)c2)cc1	408882872	PGMJOMYJQRDDPQ-FYJGNVAPSA-N	418.899	6.178	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3Cl)c2C)c(C)c1	409063051	GDOPOLCPFXZCGX-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc2c(ccc3ccccc32)o1	2159623	TYJQIKVDJSXSSK-VULFUBBASA-N	414.848	6.263	50	40	HKGB	
CCn1c(-c2ccccc2)c(C(=O)/C(C#N)=C/c2cccc(OC)c2)c2ccccc21	5689606	UBYGKOFONSJSER-LTGZKZEYSA-N	406.485	6.127	50	40	HKGB	
O=C(N/N=C/c1ccccc1Cl)c1ccc(NC(=O)c2ccccc2Cl)cc1	5945782	QWIFVQARQMAKKJ-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
N#C/C(=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	6496589	OIQINVDXTHGNMJ-CJLVFECKSA-N	406.441	6.391	50	40	HKGB	
N#C/C(=C/c1ccc(Cl)cc1Cl)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1	13408158	GQMHXVMJZUTGKI-QPEQYQDCSA-N	402.262	6.089	50	40	HKGB	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1	23382610	OOWCQSMHXSFKDD-LUJYGJGBSA-N	416.908	5.703	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(OCc3cccc(F)c3)cc2)cc1	59297070	HYVMFLCFSRHDGE-ZHZULCJRSA-N	416.452	5.349	50	40	HKGB	
CCOc1ccc(-c2csc(NC(=O)/C(C#N)=C/c3ccc(C(C)C)cc3)n2)cc1	95483627	ACNHQRCVTWBKKI-DEDYPNTBSA-N	417.534	5.878	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)c3cccc(Br)c3)cc2[C@H](C)CC1(C)C	208319534	FDBFBZNPPOFYEH-LELXDKESSA-N	423.398	6.934	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1Cl	408734700	IPDHUBSYDPXELZ-VCHYOVAHSA-N	424.331	6.255	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1cccs1	1102579	OFXQRXMJIVVXRX-LDADJPATSA-N	415.493	5.114	50	40	HKGB	
O=C(N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)c1cccnc1	3164704	FQNUXLITKUBYSW-VUTHCHCSSA-N	416.484	5.456	50	40	HKGB	
Cc1ccc(OCCCOc2ccccc2/C=N/NC(=O)Nc2ccccc2)c(C)c1	4676936	OPNMQAQPDZLISQ-NLRVBDNBSA-N	417.509	5.307	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc1OC	7351674	CGIIELWDBSELRF-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(Cl)c1	13838625	SQUOSXKQKNYAAD-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
Cc1ccsc1/C=C(\C#N)c1nc(-c2cccs2)c(NC(=O)c2ccco2)s1	15229645	KMOSBOFUHJUEKT-JLHYYAGUSA-N	423.544	6.151	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(Cl)c2)c(C)n1-c1cccc(C(F)(F)F)c1	23382732	HDFVMQHFJHQEJY-RPPGKUMJSA-N	419.834	5.530	50	40	HKGB	
O=C(Cc1cccs1)N/N=C\c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1	71335790	DFIMRWBZPGWONL-NKVSQWTQSA-N	413.713	5.661	50	40	HKGB	
Cc1cc2nc3c(nc2cc1C)[C@@]1(CBr)CC[C@H]3[C@]1(C)CBr	100920282	OVZPVJQBSKKHDB-UUWFMWQGSA-N	424.180	5.172	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cc(C)cc(C)c3)cc2[C@H](C)CC1(C)C	208314594	ADHKKEABCAWQAC-UOIFGXKSSA-N	401.554	5.961	50	40	HKGB	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	408817102	SXEQLCDORBOQJY-WOJGMQOQSA-N	424.331	6.255	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2cccc(C(F)(F)F)c2)c(C)n1-c1ccccc1Cl	408961218	BKPJHYAYYJBSTH-RPPGKUMJSA-N	419.834	5.530	50	40	HKGB	
N#C/C(=C\c1ccc(Sc2nc3ccccc3s2)o1)c1nc2ccccc2[nH]1	408987141	AMUVJWDTWGNAJI-ACCUITESSA-N	400.488	5.981	50	40	HKGB	
C/C(=N\NC(=O)c1cc(-c2ccc(C)s2)nc2ccccc12)c1ccc(C)s1	662630	WOLCJMAKLBQSJT-BUVRLJJBSA-N	405.548	5.796	50	40	HKGB	
CCOP(=S)(OCC)Oc1nc(-c2cccs2)cc(SC)c1C#N	2555966	FQRGAFDXSHZVMN-UHFFFAOYSA-N	400.487	5.080	50	40	HKGB	
O=C(O[C@H](Cl)c1ccc(Br)cc1)c1ccc(Br)cc1	2744552	AKKYXHYEMLBKAI-ZDUSSCGKSA-N	404.485	5.306	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3cccc(Cl)c3)cc2)cc1	4060780	IODNEIVSINDULT-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
CC1(C)[C@H]([C@H](Br)[C@H](Br)c2ccccc2)CC[C@@]1(C)C(=O)O	4266716	IPAYRHXWIXEEOF-LOUJCGABSA-N	418.169	5.413	50	40	HKGB	
CCn1c2ccccc2c2ccc([C@@H]3C(C#N)=C(N)OC4=C3C(=O)CC(C)(C)C4)cc21	4451040	JIUMSXPLAJPFBW-HSZRJFAPSA-N	411.505	5.265	50	40	HKGB	
COc1ccc(-c2nc(Nc3ccccc3)sc2CCC(=O)NN=C(C)C)cc1	4734060	UGVRWBSSNHBHFW-UHFFFAOYSA-N	408.527	5.007	50	40	HKGB	
Cc1cccc(Cl)c1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	5755973	KSGHUIWAVXZMCI-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
Cc1cccc(C(=O)NNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1	8315995	HCUNPKWWZFZUOU-UHFFFAOYSA-N	410.926	5.016	50	40	HKGB	
CCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccc(Cl)cc2)cc1	26123705	RPQWAHLVTRMKCO-MFKUBSTISA-N	408.885	5.082	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1	59535603	OMGJKTJOJQVZNW-ODLFYWEKSA-N	420.852	5.900	50	40	HKGB	
CCCCCCCCCCCCCCCCNC(=S)N/C=C(/C#N)C(=O)OC	104304054	XZSKSXSMKAWCGQ-VXPUYCOJSA-N	409.640	5.512	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408790979	UYONKKZETXIBRD-LCYFTJDESA-N	405.679	5.047	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)cc1	408795723	MWENMEJIWQGWND-KGENOOAVSA-N	400.453	5.513	50	40	HKGB	
Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)NN=Cc2cccn2-c2ccccc2)c1	408812166	CGGAIEGKHTWPPY-UHFFFAOYSA-N	416.912	5.302	50	40	HKGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12	408820806	YXOKLRRCUNHPLK-HDAKKWKLSA-N	418.924	5.894	50	40	HKGB	
CCOc1cc(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)c1	408871552	YWFMVNPHRLCERY-NTUHNPAUSA-N	405.679	5.047	50	40	HKGB	
Cc1cc(C)cc(COc2ccc(/C=C(\C#N)C(=O)Nc3cccc(C)c3C)cc2)c1	408883991	VMDYSVBCMYCALP-BUVRLJJBSA-N	410.517	6.045	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(Cl)c2)o1)c1cc2cc([N+](=O)[O-])ccc2o1	408967138	SMJYMPIZDDHYAT-SSDVNMTOSA-N	409.785	5.018	50	40	HKGB	
Cc1[nH]c2c(C)cccc2c1/C=N\NC(=O)c1cc(-c2ccccc2)nc2ccccc12	409038339	OJKCPDAQGKRBHR-NTFVMDSBSA-N	418.500	5.764	50	40	HKGB	
Cc1ccc(S[C@@H](C)C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	409133695	MIUFNNGRZYRZQF-PTFSYIGCSA-N	404.535	5.205	50	40	HKGB	
O=C(CCBr)Nc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1	2565080	UNOGYAIWFCQAIZ-UHFFFAOYSA-N	404.182	5.101	50	40	HKGB	
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC(=O)CCCCCCl	2577713	MLSLBFJTSLWSGJ-UHFFFAOYSA-N	418.708	5.404	50	40	HKGB	
CC(C)c1ccc(/C=N/NC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1	3073667	YZXDVRVXVBTVND-OGLMXYFKSA-N	422.613	6.194	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(N4CCCC4)cc3)c2C)c(C)c1	7384715	AOPZMYZVFDBDPS-WPWMEQJKSA-N	414.553	5.075	50	40	HKGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl	9200599	JZCOQHCNEUVFHN-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)n1-c1cccc(Br)c1	33547255	CYWKMSBNNLEXIP-GZTJUZNOSA-N	417.310	5.797	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccc(OCc4ccccc4)cc3)n2)cc1	39885223	AVDWUEFCSNSBEE-HZHRSRAPSA-N	408.526	6.762	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c2ccccc12	59336092	CWZIPQRDNFOZTH-QINSGFPZSA-N	411.288	6.091	50	40	HKGB	
Clc1cccc(Cl)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1	100019354	BRUIXKPMICIMTI-UHFFFAOYSA-N	422.315	6.488	50	40	HKGB	
Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N/N=C/c5c[nH]c6ccccc56)(C4)C2)C3)cc1	100845852	ZWRALQDDTNOFIJ-PBYIJMEESA-N	411.549	5.465	50	40	HKGB	
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)[C@@H](Cl)CCl	103527214	DCVKORWEQQJFNS-REOHCLBHSA-N	416.992	5.571	50	40	HKGB	
C=CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Br)cc2)cc1Cl	408796651	OQZSPCSIXPEULT-GXDHUFHOSA-N	417.690	5.213	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1C	408802583	ZDMJZYBTXWCNEH-FYJGNVAPSA-N	417.940	6.218	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C\c2ccc(Sc3nc4ccccc4[nH]3)o2)cc1C	409187500	RGDKQDWAFCPOBY-UUYOSTAYSA-N	405.483	5.080	50	40	HKGB	
O=C(CNc1ccc(Cl)cc1)N/N=C/c1ccc(-c2cccc(Cl)c2Cl)o1	409366311	UEYDOGYDULFXFE-YSURURNPSA-N	422.699	5.469	50	40	HKGB	
Cc1ccc(Cc2cnc(NC(=O)/C(C#N)=C/c3ccccc3C)s2)cc1Cl	954309	XYCBGJBHRKBFTI-WOJGMQOQSA-N	407.926	5.550	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(C#N)cc2F)c(C)n1-c1cccc2ccccc12	1093630	KNQOXZUKVRERSB-RWPZCVJISA-N	410.452	5.022	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1	5750600	DTNIGGWCGZLNFP-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
CC(=O)c1ccc(N/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	9445089	DKIWVDYBXGTMTL-UVTDQMKNSA-N	414.317	6.296	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1C	13940003	AZGHCMOSFLWRLU-PXLXIMEGSA-N	413.521	5.519	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	18173293	YHFOYUBKGZCANN-WJDWOHSUSA-N	400.276	5.268	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c(C)n1-c1ccc(Cl)cc1	408811372	NNJZAAGDXLCFRL-AQRZYSDFSA-N	403.913	5.532	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c(Cc2cc(C)cc(C)c2)c1	408874395	AXIVVXLFOFUOPR-HYARGMPZSA-N	414.480	5.588	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=N/NC(=O)CCCc1ccc(OC)cc1C	408912718	RAWMUHHDFVMYJH-OVVQPSECSA-N	418.537	5.419	50	40	HKGB	
CC[C@@H](C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1Br	409203855	ZFIJUIRNJBIVAI-YDRQLGOLSA-N	401.260	5.599	50	40	HKGB	
Cc1cc(/C=N/NC(=O)CSc2ccc(Cl)cc2)c(C)n1Cc1ccccc1	409214419	UZNMUTABECPKDZ-ZMOGYAJESA-N	411.958	5.049	50	40	HKGB	
Cc1ccccc1OCCOc1ccc(Cl)cc1/C=N/NC(=O)Nc1ccccc1	2850230	RNEFHROVCIWINA-PCLIKHOPSA-N	423.900	5.262	50	40	HKGB	
Cc1ccc(C(=O)Nc2cccc(C(=O)N/N=C/c3cccc4ccccc34)c2)cc1	3090710	QXLFXZPGZGSMDP-WPWMEQJKSA-N	407.473	5.164	50	40	HKGB	
CCOc1ccc2ccccc2c1C=NNC(=O)COc1cc(C)ccc1C(C)C	245241701	NFMUFORNZAYQRF-UHFFFAOYSA-N	404.510	5.199	50	40	HKGB	
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C\c2ccc(Cl)s2)cc1	408846036	IEEPSRBTNJKNBH-MYYYXRDXSA-N	419.937	5.932	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)c2C)c(C)c1	408983778	HRMZEQRBYFYVPX-BKUYFWCQSA-N	417.940	6.218	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3ccccc3C)c2C)cc1	409146589	UTHONMYCERDENO-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
N#CC1=C(N)OC2=C(CCC/C2=C\c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1	714369	SWTPSDIDUXZIFY-CZIOWHBQSA-N	409.316	6.323	50	40	HKGB	
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C(C#N)=C/c1ccccc1	2276931	CWTWPWSIWXTBKW-CPNJWEJPSA-N	416.502	5.446	50	40	HKGB	
Cc1ccc(OCC(=O)N/N=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1C	3090541	UKHDKSNEJZPAPR-RPPGKUMJSA-N	416.399	5.111	50	40	HKGB	
C/C(CC(=O)Nc1ccc(Cl)c(Cl)c1)=N\NC(=O)c1ccc(C(C)(C)C)cc1	12362475	AUTLWWOEPPJCCY-DHRITJCHSA-N	420.340	5.425	50	40	HKGB	
COc1ccc(/C=C2\CCC[C@H]3C2=NN(C(=O)CCl)[C@H]3c2ccc(OC)cc2)cc1	12564860	JBNLLEISOAYPQS-JPARSPOBSA-N	424.928	5.066	50	40	HKGB	
O=C(N/N=C\c1ccc(Br)o1)c1cc(-c2ccccc2)nc2ccccc12	33403284	VDVDQNKLBIEVMS-QRVIBDJDSA-N	420.266	5.021	50	40	HKGB	
Cc1ccc2nc(/C(C#N)=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)[nH]c2c1	33534806	PMRKNPXBQWALHN-UYRXBGFRSA-N	410.433	5.423	50	40	HKGB	
c1ccc2cc(P(c3ccc4ccccc4c3)c3ccc4ccccc4c3)ccc2c1	68569422	VUZQGRDDIUBFBC-UHFFFAOYSA-N	412.472	6.904	50	40	HKGB	biogenic
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1	252482974	DRJKGNHSQOFYSQ-LFIBNONCSA-N	405.385	5.102	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2cccc(C(F)(F)F)c2)c(C)n1-c1cccc(Cl)c1	408758945	VFXWBTSUAHYARV-ZDLGFXPLSA-N	400.831	6.831	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2cc(Cl)ccc2Cl)o1	408812278	LMLLOFXZTSNLML-ISPQVQRCSA-N	403.309	5.855	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)c(Cc2cccc(F)c2)c1	408866185	GIWNHNVKEZXZDE-XDHOZWIPSA-N	420.871	5.624	50	40	HKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1Oc1ncccc1[N+](=O)[O-]	409317443	QBISIRBZKRYPCF-XMHGGMMESA-N	423.428	6.008	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccc(Cl)s2)cc1)c1nc2ccccc2[nH]1	4746535	NAQCFFOUPGNTRC-SDNWHVSQSA-N	405.866	5.561	50	40	HKGB	
N#C/C(=C\c1cn(CCOc2ccccc2)c2ccccc12)c1nc2ccccc2[nH]1	9187204	WGZLPQJIYJHCMX-KNTRCKAVSA-N	404.473	5.661	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)[C@@H](C)Sc2ccccc2)c1C	28216407	QRZHACDWGYQZFZ-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3)c2)cc1	48573361	JHELFBLUSSSYIG-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccccc2F)c1	59198840	LMUGJTIBOIOXKG-KGENOOAVSA-N	400.453	5.567	50	40	HKGB	
CCOC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)Nc3cc(C)ccc3C)o2)cc1	59432939	LIJWMIAQMXHFHD-XSFVSMFZSA-N	414.461	5.286	50	40	HKGB	
Cc1cc(=O)oc2cc(N/C=C(\C#N)c3nc(-c4ccc(F)cc4)cs3)ccc12	100750418	FHNHXZOWWCOWCM-RVDMUPIBSA-N	403.438	5.341	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Br)cc3C)n2)cc1C	100860068	MECYZFAMWPEKHF-BOPFTXTBSA-N	424.367	6.474	50	40	HKGB	
N#C/C(=C/c1ccccc1OCC(=O)Nc1ccccc1)c1ccc2ccccc2c1	408553390	YMQMOABDIKGKHO-ULJHMMPZSA-N	404.469	5.921	50	40	HKGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1	408793702	GAMPGOWENKPILV-OQKWZONESA-N	410.517	6.109	50	40	HKGB	
N#C/C(=C\c1cc(Cl)ccc1OCc1ccc(F)cc1)C(=O)Nc1ccc(O)cc1	408798464	ILCFOZMYBCFMEA-GZTJUZNOSA-N	422.843	5.309	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OCc1ccc(C)c(C)c1	408804767	BGJAQWGPZQUWOU-HYARGMPZSA-N	412.489	5.437	50	40	HKGB	
Cc1c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c2ccccc2n1Cc1ccccc1	408809845	SCIOFNRTJHOTEW-MHIQDMOBSA-N	419.528	5.782	50	40	HKGB	
Cc1c(/C=N\NC(=O)c2cc3ccccc3o2)c2ccccc2n1Cc1ccccc1	408820315	VKMCUXWBUVBYNY-YUMHPJSZSA-N	407.473	5.508	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(C(=O)O)c(Cl)c1	408851969	OLBBKQCJECXDFH-YBEGLDIGSA-N	416.868	5.386	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Cc2ccccc2Cl)c1	408872300	CROOETSQUGGBLZ-FYJGNVAPSA-N	416.908	5.794	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)cc2)c1	408874315	BCPKHXOHFUGMCQ-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1	409113096	HYEOXIFQJGDGSL-WGOQTCKBSA-N	419.594	5.652	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1	409230862	GQZFZLOISSLQKD-HYARGMPZSA-N	409.464	5.683	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)n(Cc3ccccc3)c3ccccc23)c1	2805769	CNQKRQDSAXBNKV-RCCKNPSSSA-N	421.500	5.552	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1C	14134590	KCMGXZJOABHUHZ-WYMPLXKRSA-N	401.293	5.563	50	40	HKGB	
CC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(F)cc3)cc2s1	20132418	JYKIOUVGVGVTOG-AWEZNQCLSA-N	423.307	5.126	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCc1ccc(F)cc1	59535623	DIEUDFNXTSJQPL-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
CN(CC#N)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCl)CC[C@]4(C)[C@H]3CC[C@@]21C	95861650	JOKRPORJXQCDAP-NDMIVGHGSA-N	421.025	5.004	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2C(C)=CC1(C)C	208503919	PEIWYISAPNNDJQ-WQRHYEAKSA-N	405.929	5.907	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)cc1	408537807	HIBQFNYGCHOWJE-SILNSSARSA-N	421.497	5.880	50	40	HKGB	
O=C(N/N=C/c1ccc(N2CCCCC2)o1)c1ccc(CSc2ccccc2)cc1	409001018	ZTSWRKMOWRYQDL-KOEQRZSOSA-N	419.550	5.326	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1Cl	409043603	RZCPNAOSGHEMSE-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
Cc1ccc(Sc2ccc(/C=N\NC(=O)c3ccc(-n4cccc4)cc3)cc2)cc1	409243479	YZPQSPWGAPSULF-ITYLOYPMSA-N	411.530	5.701	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1	409251336	PFESIHIOZLWQRY-OSVNEOKWSA-N	416.908	5.703	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc(Br)c2)o1)c1nc2ccccc2s1	4837451	BCMMEECXMYOBQK-SDNWHVSQSA-N	407.292	6.383	50	40	HKGB	
CCCCCCSC1=C(C#N)[C@H](c2ccc(C(C)C)cc2)C2=C(O)CCCC2=N1	103029527	WOIVOOJTLRPQSX-QHCPKHFHSA-N	408.611	7.393	50	40	HKGB	
Cc1ccc(C)n1-c1cccc(C(=O)N/N=C/c2cc(C)n(C3CCCCC3)c2C)c1	408741316	PBLBRZIMCYYUIB-WPWMEQJKSA-N	416.569	5.782	50	40	HKGB	
N#C/C(=C\c1c(Cc2cccc(F)c2)ccc2ccccc12)C(=O)Nc1ccccc1F	408872954	PVRBRQOENZGXAA-LTGZKZEYSA-N	424.450	6.254	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	409120446	WAFSGPOAPRQACO-PCLIKHOPSA-N	405.567	5.343	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1)c1ccc([N+](=O)[O-])cc1	409199029	BAEFFHNSPHVULQ-UNOMPAQXSA-N	401.378	5.146	50	40	HKGB	
Cc1ccnc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3cccc(C(F)(F)F)c3)c2C)c1	409237461	WWFFFTWMRKSHTA-WQRHYEAKSA-N	424.426	5.362	50	40	HKGB	
CCCCCCO[C@H](c1cc2c(cc1Br)OCO2)[C@@H](C)Br	1615258	CFRCTPNZOKRPHU-BZNIZROVSA-N	422.157	5.599	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	2080925	QHUYKCNDUBTBMC-BUVRLJJBSA-N	423.340	5.482	50	40	HKGB	
CC(C)(C)c1ccc(-c2cc(C(=O)N/N=C/c3cccs3)c3ccccc3n2)cc1	2109931	FKORGGWTERHDEI-WGOQTCKBSA-N	413.546	6.025	50	40	HKGB	
Cc1ccc(/C=C(\C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)o1	4812072	XTEGGHAEZDFGMX-MHWRWJLKSA-N	410.454	6.035	50	40	HKGB	
CCCCOC(=O)c1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1	6323235	ONHHQFOJPRYPNP-NKFKGCMQSA-N	421.496	7.121	50	40	HKGB	
COc1ccc2ccccc2c1/C=N\NC(=O)[C@H](C)Oc1ccc(-c2ccccc2)cc1	11666783	MOPVDAOSJPEYES-UKAWQWHTSA-N	424.500	5.433	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2cccc(OCc3cccc(Cl)c3)c2)c(C)c1	20195075	WNJJPEVFLYQEFX-CVKSISIWSA-N	406.913	5.229	50	40	HKGB	
O=C(N/N=C1/CCCc2ccccc21)c1ccccc1OCc1ccccc1Cl	33778704	ICAOCTITVWRMEW-ROMGYVFFSA-N	404.897	5.389	50	40	HKGB	
O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1	58900716	HSSQOLGIFTYBCX-ZMOGYAJESA-N	412.276	5.010	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2F)cc1	59255669	RCSMMOPHLBKYHR-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc(Cl)c2)cc1)C(=O)NCc1ccccc1	59272292	KXFBLEFARYNELO-FYJGNVAPSA-N	402.881	5.142	50	40	HKGB	
CC(C)(C)c1ccc(CC(=O)N/N=C/c2cccc(OCc3ccccc3)c2)cc1	408568969	XSAPTNKLTJQWRC-OVVQPSECSA-N	400.522	5.256	50	40	HKGB	
Cc1c(C(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1[N+](=O)[O-]	408864406	VESSTHBCSHTPJW-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
Cc1ccc(S[C@H](C)C(=O)N/N=C/c2cc(C)n(-c3cccc(C)c3)c2C)cc1	409119131	QVSBXQGNWYZTDJ-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
N#Cc1ccccc1-c1ccc(/C=N/NC(=O)C(c2ccccc2)c2ccccc2)o1	409392998	UOZXXMBRSSDMOV-MTDXEUNCSA-N	405.457	5.100	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)COc3cc(C)ccc3C(C)C)c2C)cc1	3306281	ICMMKMYFAIBVFZ-JFLMPSFJSA-N	417.553	5.363	50	40	HKGB	
C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	15227461	JWCREBCDFDVDRO-CMAAAVFUSA-N	413.315	5.311	50	40	HKGB	
Cc1cc(C)cc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)c1	28215928	OPEQDKBBMKLLNB-AFUMVMLFSA-N	405.567	5.094	50	40	HKGB	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1CC=C	59336503	FIGZPKSTKFPGON-LGMDPLHJSA-N	411.288	5.280	50	40	HKGB	
Clc1ccc(C[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl	104393372	KIXBUPDTMMYHRC-UHFFFAOYSA-N	423.323	6.220	50	40	HKGB	
Cc1cc2nc(/C(C#N)=C\c3ccc(OC(C)C)c(Br)c3)[nH]c2cc1C	169946179	FXUGZTWJMLMEAS-SXGWCWSVSA-N	410.315	5.794	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1	408585649	GURPNHIPSFBCEW-UDWIEESQSA-N	417.339	7.369	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc3ccccc23)c1C	408745306	RACUOOUABJCZJZ-KQWNVCNZSA-N	405.501	6.101	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)ccc1Cc1ccccc1Cl	408867398	KPDQTSDXBZSKFW-XDHOZWIPSA-N	418.880	5.191	50	40	HKGB	
Cc1ccc(NN(C(=O)C(O)(c2ccccc2)c2ccccc2)c2ccc(C)cc2)cc1	2208791	GRWMSJRZNWFHTG-UHFFFAOYSA-N	422.528	5.600	50	40	HKGB	
N#CC1=C(SCc2cccc3ccccc23)NC(=O)C[C@H]1c1ccc(Cl)cc1	9014787	MJTAOIJZVUBZHA-FQEVSTJZSA-N	404.922	5.765	50	40	HKGB	
C#CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1Cl	9907210	JMEIVHGCFJUYNX-VGOFMYFVSA-N	419.695	5.513	50	40	HKGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H](Br)C2=O	100868325	CAZOMVNBOBEWSG-CSMYWGQOSA-N	419.146	5.091	50	40	HKGB	
COc1cc(/C=C(/C#N)c2ccccc2F)cc(Cl)c1OCc1cccc(C)c1	107987232	MFCHGULKBBLUJX-ODLFYWEKSA-N	407.872	6.439	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)c1C	408799620	ZXRLMEHKHHVUID-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C	408813235	QHHAJMVIMISEPJ-BOPFTXTBSA-N	423.875	5.441	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cc3ccccc3Cl)cc2)c(C)c1	408867519	IVLYYSWXCAONOZ-PXLXIMEGSA-N	400.909	6.093	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	408888904	CQTNEYGXMWEYND-QGOAFFKASA-N	423.428	5.455	50	40	HKGB	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)c1C	408981886	CROPGEQIZNHQJW-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)o1	409110541	DVOUXJKARQWMMG-XMHGGMMESA-N	414.461	5.366	50	40	HKGB	
CCCN(CCC)c1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2C)cc1	3015592	YFJOHASCZOGPNP-OVVQPSECSA-N	423.601	5.448	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2cccc(Cl)c2)c(C)n1CC(C)C	12899454	OZEYGBKITOSOSE-MZYRPWKCSA-N	412.917	5.136	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2cccc(Cl)c2)ccc1OCc1ccc(C(=O)O)o1	15013753	DUGHVQXDBXCOMM-LICLKQGHSA-N	423.852	5.673	50	40	HKGB	
CC1=C(/C=C\C(C)=C/C=C\C(C)=C/C=N\NC(=O)c2ccncc2)C(C)(C)CCC1	17325369	VOUCNJZICKBIMN-FKLWJCLFSA-N	403.570	6.329	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)S(=O)(=O)c1ccccc1	31783674	OVXRZSHYWFXREB-ZHZULCJRSA-N	409.894	5.257	50	40	HKGB	
COc1cc(/C=C/C(=O)Cl)cc(Br)c1OCc1ccccc1Cl	62715920	QQBRSOKZDLGTKU-VOTSOKGWSA-N	416.098	5.469	50	40	HKGB	
CCCCCCCCCCOC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	100707348	YVHLHQDUNMXVRJ-LVZFUZTISA-N	413.945	7.191	50	40	HKGB	
CCCCCCCC/C=C/CCCCCCCCCCCCCCBr	104141396	JZXGIXMFNSTPME-MDZDMXLPSA-N	415.544	9.759	50	40	HKGB	
ClC1=C(Cl)[C@@]2(Cl)[C@@H]3C[C@H](Cl)[C@@H](Cl)[C@H]3[C@@]1(Cl)C2(Cl)Cl	253637598	BIWJNBZANLAXMG-QEJMAMEZSA-N	409.782	5.683	50	40	HKGB	in-vitro
Cc1cccc(-n2c(C)cc(/C=N\NC(=O)Cc3cccc(C(F)(F)F)c3)c2C)c1	408762864	GQMVKEXTCWYKFO-VYYCAZPPSA-N	413.443	5.114	50	40	HKGB	
Cc1ccc(Cn2cc(/C=N\NC(=O)c3cc4ccccc4o3)c3ccccc32)cc1	408853545	VFQFUMTUDZGNOV-DICXZTSXSA-N	407.473	5.508	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c1C	408962458	YJVNCSUTMPYOCK-VEILYXNESA-N	424.548	5.520	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=N\NC(=O)c2cccc(-n3cccc3)c2)c1C	408968170	UNVLKVGXSSVCKG-IMRQLAEWSA-N	410.521	5.211	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc(C(F)(F)F)c1	409022895	HSXGTEMMJZFTJV-KAMYIIQDSA-N	421.896	7.636	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(Cl)cc3)c2C)c(Cl)c1	409051364	LGENOMXAUSKAHY-WYMPLXKRSA-N	400.309	5.473	50	40	HKGB	
C=CCc1cc(/C=C(\C#N)c2ccccc2)cc(OCC)c1OCc1ccccc1F	409069374	IROOSZKNPHSTKA-LFVJCYFKSA-N	413.492	6.596	50	40	HKGB	
Cc1cc(C)n(C(=O)/C(C#N)=C/c2cccc(OCc3cccc4ccccc34)c2)n1	409375750	OVYSGCJQYSIGHF-OEAKJJBVSA-N	407.473	5.480	50	40	HKGB	
Cl[C@@H](Nc1nc(-c2ccccc2)[n+](-c2ccccc2)s1)C(Cl)(Cl)Cl	1825658	ASWKZGGZMAXNAM-AWEZNQCLSA-O	420.172	5.434	50	40	HKGB	
Clc1ccc2c(c1)[C@H](Br)[C@H](Br)c1ccccc1S2	2193119	SHLLLFJUDXTXGP-KGLIPLIRSA-N	404.554	6.377	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)cc1OC	2670446	JOYJZVAFFJUTIW-XNTDXEJSSA-N	419.308	5.727	50	40	HKGB	
C/C(=N/NC(=O)c1ccc(C(C)C)cc1)c1ccc(NC(=O)C2CCCCC2)cc1	5384692	ANIUUFZULZDEBJ-IMRQLAEWSA-N	405.542	5.483	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)Sc3ccccc3)c2C)c1	28216401	ICIPIXGWDWISAU-PXMCARDJSA-N	405.567	5.342	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1OCC	59335749	LRAIIIUDBJPGSG-QNGOZBTKSA-N	402.494	5.233	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](Cl)C=C[C@]4(C)[C@H]3CC[C@@]21C	123223096	KIKFBHZFFZVAFR-FBVYSKEZSA-N	405.110	8.491	50	40	HKGB	
CCN1c2cc(C)c(/C=N\NC(=O)Nc3ccccc3OC)cc2[C@@H](C)CC1(C)C	223583875	KGVWMEADIFDOHR-HAWKZNDISA-N	408.546	5.271	50	40	HKGB	
Cc1cc2c(cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1)[C@@H](C)CC(C)(C)N2C(C)C	223606108	CWQSUHIHEAJQEJ-HRVJUDJTSA-N	419.544	6.180	50	40	HKGB	
CC(C)c1ccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)cc1	252497492	QJLVCJGZLRWASZ-GZTJUZNOSA-N	419.412	5.663	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)c3ccccc32)cc1	408795080	KZNIMKIMCIVTSQ-HZHRSRAPSA-N	419.528	6.161	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(Cl)cc2)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1	408842644	ADVOKRBNGXFYEB-UWVJOHFNSA-N	420.852	5.208	50	40	HKGB	
C[C@@H](NC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1ccccc1	1452507	NUORFVQBDRIKIB-KETZHDHUSA-N	424.529	5.385	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc([N+](=O)[O-])c1	6816010	SADRYNMNLWPIKL-UNOMPAQXSA-N	413.864	6.315	50	40	HKGB	
C=CCSC1=C(C#N)[C@H](c2sccc2C)C(C(=O)OCC)=C(c2ccccc2)N1	20348277	GEEIYDUDIHCHBW-SFHVURJKSA-N	422.575	5.372	50	40	HKGB	
CSCC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1nc2ccccc2[nH]1	32350207	IZNBRUYYUCRAQV-RHSMWYFYSA-N	409.646	5.187	50	40	HKGB	biogenic
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3ccccc3Cl)o2)ccc1Cl	32581103	GEZPDNIQFOLJFQ-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
N#C/C(=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1)C(=O)Nc1nccs1	96663518	DLTAOWMJKSOQCW-JZJYNLBNSA-N	422.513	6.159	50	40	HKGB	
COC(=O)[C@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(C)C(=O)OC(C)(C)C	195860315	XTCFNMSRLHZYAS-SFHVURJKSA-N	423.626	5.022	50	40	HKGB	in-vitro
O=C(CCc1ccccc1)N/N=C(\c1ccccc1)c1ccc(-c2ccccc2)cc1	199418088	YVYOCYCXJIIBRG-SJCQXOIGSA-N	404.513	5.855	50	40	HKGB	
O=C(Cl)c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1	226340581	CAIJZMDCVDNGRB-UHFFFAOYSA-N	410.094	6.214	50	40	HKGB	
COc1cc(OC)c(/C=C(/C#N)c2ccc(Br)cc2)cc1Br	408532652	QPVZRMKNRKVPSR-QPEQYQDCSA-N	423.104	5.293	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(/C#N)c3ccc(Cl)cc3Cl)c2c1	408786584	SQCSWWNQZVXDQS-WJDWOHSUSA-N	412.316	7.008	50	40	HKGB	
C/C(=N/NC(=O)c1sc2cc(C)ccc2c1Cl)C12CC3CC(CC(C3)C1)C2	5942855	KTYHVEHLSXZOMF-CFRMEGHHSA-N	400.975	6.185	50	40	HKGB	
CCCCCCOc1ccc(Cl)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	408538880	QXDKHXBWLODBBP-ZHZULCJRSA-N	410.945	6.462	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(Cl)cc2)c(C)n1-c1ccccc1Cl	408592494	YQQREXVYWAVHFX-ZMOGYAJESA-N	400.309	5.094	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(F)cc2)cc1)C(=O)Nc1ccc(Cl)cc1	408746368	SDWHAAYIBAOJCA-AQTBWJFISA-N	406.844	5.604	50	40	HKGB	
c1ccc([C@H]2COC([C@H]3CCCCN3P(c3ccccc3)c3ccccc3)=N2)cc1	1988187995	HBWSZKUXZKWRPU-JWQCQUIFSA-N	414.489	5.059	50	40	HKGB	
Cc1cc2c(cc1C)CN(c1cccc(C(=O)N/N=C/c3ccc(Cl)cc3)c1)C2	3093618	NKMQWSZNHKRXLB-LGJNPRDNSA-N	403.913	5.241	50	40	HKGB	
CC(=O)Oc1ccc(/C=C(/C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1	9075781	UEZQJMPSFYYVPN-ZSOIEALJSA-N	415.301	6.106	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)c1cccnc1	9509677	FGOVUWDKUMXBDQ-MFKUBSTISA-N	418.547	5.138	50	40	HKGB	
CCCCCCC(/C=C\c1ccc(Cl)c(Cl)c1)=N\NC(=O)C[n+]1ccccc1	31959271	XAJVVISEJATXSF-YTHLZPJFSA-O	419.376	5.437	50	40	HKGB	
CC(C)(C)n1nc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)cc1C1CC1	42709602	RQNDJMRZZNGRAJ-UHFFFAOYSA-N	401.725	5.233	50	40	HKGB	
CSc1ccc(/C=N/NC(=O)c2ccc(CSCc3ccccc3)cc2)cc1	58916012	YVZPXKFSXRSSCY-BUVRLJJBSA-N	406.576	5.606	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2ccc3ccccc3c2)c(Br)cc1OC	107637867	QVVYWZWJONGDSX-ODLFYWEKSA-N	408.295	6.074	50	40	HKGB	
C[C@@H]1C[C@@H](N[C@H](c2ccco2)P(=O)(c2ccccc2)c2ccccc2)CC(C)(C)C1	255004169	RTTSRQHDBYZLNL-OTPAQWSUSA-N	421.521	6.097	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc(Cl)c1OC(C)C	408801396	AMRVNKDVMJRKRU-VCHYOVAHSA-N	412.917	5.688	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(C(C)(C)C)cc1	408811470	RCWKMLQDXVKSCD-JEMZZOFUSA-N	417.597	5.994	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3ccc(C)c(C(=O)O)c3)o2)c(C)c1	408851645	FBMQAKHNVPEPNY-WQRHYEAKSA-N	400.434	5.116	50	40	HKGB	
N#CC1=C(N)Oc2cc(O)c(/C=N/c3cccc4ccccc34)cc2[C@H]1c1ccccc1	2289201	QASHCBIISUCOFV-LOAJVOFASA-N	417.468	5.514	50	40	HKGB	
COc1cc(/C=N/NC(=O)Cc2cccc3ccccc23)ccc1OCc1ccccc1	13950313	LAHAZUQQORKUBI-MTDXEUNCSA-N	424.500	5.120	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccc(Cl)cc1	59116906	RYDQARSNHQYCCX-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ccccc4c3)c2C)cc1	59335145	KSEXFSKXCMQGAY-IWIPYMOSSA-N	405.501	6.101	50	40	HKGB	
Cc1ccc(COc2ccc(/C=N/NC(=O)CSCc3ccc(C)cc3)cc2)cc1	59473746	HUAOLBPPMXQWON-CVKSISIWSA-N	418.562	5.266	50	40	HKGB	
O=C(Nc1ccccc1NC(=O)c1ccc(CCl)cc1)c1ccc(CCl)cc1	68605873	NHFJGHOHZWZQQO-UHFFFAOYSA-N	413.304	5.669	50	40	HKGB	biogenic
O=C(N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)c1ccc2ccccc2c1	408598972	MNOPZELUMQRKQT-MUFRIFMGSA-N	421.475	5.746	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1Cc1ccccc1F	408883717	VQUJINWIGFLFFL-FYJGNVAPSA-N	400.453	5.279	50	40	HKGB	
O=C(Cc1ccc(F)cc1)N/N=C\c1cn(Cc2ccccc2Cl)c2ccccc12	409238366	NFPAXDDEGNGWOB-VYYCAZPPSA-N	419.887	5.175	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cccc2ccccc12	5124211	PRFRWELDAWJVAA-NBVRZTHBSA-N	409.401	5.554	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1Cl	6329672	KZMLUDJIBWEVNI-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
Cc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(=O)CCl)n2)cc1	8755029	NAKVEADHDCFYCS-UHFFFAOYSA-N	422.941	5.457	50	40	HKGB	
CCOc1ccc(/C=C(/C#N)c2ccc(Cl)cc2)cc1I	15013533	ATIXWHYNIUGVPJ-ZROIWOOFSA-N	409.654	5.407	50	40	HKGB	
Cc1ccc(SCC(=O)N/N=C/c2cc(C)n(-c3c(C)cccc3C)c2C)cc1	28217321	ITFSLSOURHFPOI-AFUMVMLFSA-N	405.567	5.262	50	40	HKGB	
COc1ccc(-c2nn(Cc3ccccc3)cc2/C=C(/C#N)c2ccccn2)cc1OC	49573549	GFKRMUBYGNQVIT-STZFKDTASA-N	422.488	5.075	50	40	HKGB	
N#C/C(=C/Nc1ccc(F)cc1F)c1nc(-c2ccc(-c3ccccc3)cc2)cs1	90427187	KJBLHNJMNDOBRH-RGEXLXHISA-N	415.468	6.732	50	40	HKGB	
COc1ccc(CC(=O)N/N=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409072705	DAOITESDPNVOPN-IWIPYMOSSA-N	410.926	5.193	50	40	HKGB	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1Br	409244686	HGLWCZQQGFHWAH-GZQZNAIASA-N	413.315	5.021	50	40	HKGB	
COc1ccc([C@@H]2CC(c3ccccc3)=C(C#N)C(=O)[C@@H]2C(=O)c2ccccc2)cc1	704288	ZKMAEMWRXOFJJS-ZCYQVOJMSA-N	407.469	5.228	50	40	HKGB	
N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1cc2c(ccc3ccccc32)oc1=O	3239361	HMYMJMHZLFYBOR-UHFFFAOYSA-N	414.424	5.229	50	40	HKGB	
COc1ccccc1/C=C/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)ccc1Cl	3320508	VRPCARQVLOUNIR-BOGGDHRQSA-N	406.791	5.469	50	40	HKGB	
CCOc1ccc2ccc(OCC)c(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3)c2c1	4723473	HSGSPKULVFSSEI-GHRIWEEISA-N	420.896	5.836	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1nnc(NC(=O)c2ccccc2)s1	9435971	PTFDDMLNESBFIL-VBKFSLOCSA-N	416.437	5.254	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OC(C)C	59297023	QZBYVCNVEHNRGI-MHWRWJLKSA-N	418.415	5.437	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1F	107996666	OAFYRQJADGXBLT-NDENLUEZSA-N	418.424	5.776	50	40	HKGB	
Cc1ccc(C)c(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccc(Cl)cc3)c2C)c1	408746876	XCFMLHKLURSBLM-MOSHPQCFSA-N	403.913	5.910	50	40	HKGB	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Br)cc2)o1	15227458	JWCREBCDFDVDRO-KYWOULDRSA-N	413.315	5.311	50	40	HKGB	
Cc1ccc(S(=O)(=O)Oc2cc(CCl)ccc2OCc2ccccc2)cc1	22051266	ROSUCHAZXOEERD-UHFFFAOYSA-N	402.899	5.081	50	40	HKGB	in-vitro
Cc1ccc(-c2ccc(/C=C(\C#N)Sc3nc4ccccc4s3)o2)cc1Cl	35384327	BAHZCAJQERRIIE-LFIBNONCSA-N	408.935	7.175	50	40	HKGB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/NC(=O)Cc2cccc3ccccc23)o1	59426188	QIAINYIEASIHKZ-MFKUBSTISA-N	413.433	5.009	50	40	HKGB	
Cc1ccccc1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)OC(C)(C)C)C(=O)O	169840667	YPMYGFWDPRPTSM-SJORKVTESA-N	409.599	5.036	50	40	HKGB	
COc1cccc(C(=O)N/N=C/c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)c1	408858608	UJQZVOBZUWZAJQ-VULFUBBASA-N	422.912	5.308	50	40	HKGB	
Cc1cccc(N2CSC3=C(C#N)[C@@H](c4ccc(C(C)C)cc4)CC(=O)N3C2)c1	4923397	COJKMFQBLJHLOD-OAQYLSRUSA-N	403.551	5.338	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3cc(Cl)c(O)c(Cl)c3)n2)cc1	8487669	OMYOYDDLVOVMEB-AWNIVKPZSA-N	403.290	5.895	50	40	HKGB	
COc1cccc(/C=C(\C#N)C(=O)c2cc(C)n(-c3ccccc3F)c2C)c1OC	12558794	MVEXKLRGJZFCFT-QGOAFFKASA-N	404.441	5.040	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)Cc3ccc(C(C)(C)C)cc3)c2C)cc1	408588372	JBFMXTKIBJYNSE-WPWMEQJKSA-N	417.553	5.093	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C	408745034	OVXKCRRNCPBAES-WQRHYEAKSA-N	424.331	6.255	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)cc1	408794335	IUDGAVINABNTPM-XSFVSMFZSA-N	413.433	5.028	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	408817237	ZZRHYJNLVMMYRQ-XDHOZWIPSA-N	419.912	5.610	50	40	HKGB	
Cc1cc(NC(=O)N/N=C\c2ccc(OC(C)C)c(Cl)c2)ccc1Br	408905642	ZZYPCQNRSHIIKZ-FBHDLOMBSA-N	424.726	5.354	50	40	HKGB	
Cc1cc(/C=N\NC(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408963911	BESDEMZTVGQQNL-YSMPRRRNSA-N	422.960	6.201	50	40	HKGB	
N#C/C(=C\c1cc(Cl)cc(Cl)c1OCc1ccc(C(=O)O)cc1)c1ccccc1	409068051	SMTCNETVEXQMGD-VXLYETTFSA-N	424.283	6.335	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)c1ccc(C#N)cc1	409371346	WDHHNWKITCAVJX-JAIQZWGSSA-N	405.284	6.508	50	40	HKGB	
N#C/C(=C\c1ccccc1Sc1ccc(Cl)cc1)C(=O)Nc1ccc(O)cc1	409376212	WANXPQFQOKERIM-DTQAZKPQSA-N	406.894	5.742	50	40	HKGB	
O=C(N/N=C/c1ccccc1Br)C1[C@@H]2CC/C=C\CC/C=C/CC[C@@H]12	4474755	CXSVWIBMCMBREG-HYDPMKHRSA-N	401.348	5.228	50	40	HKGB	
O=C(N/N=C/c1ccccc1C(F)(F)F)c1[nH]c2ccccc2c1-c1ccccc1	5490454	QLMFWFCLVYJDSW-MZJWZYIUSA-N	407.395	5.618	50	40	HKGB	
N#C/C(=C/c1ccc(OCc2cccc3ccccc23)cc1)c1cccc([N+](=O)[O-])c1	6238004	RWDBBVQADYSUTD-HAHDFKILSA-N	406.441	6.391	50	40	HKGB	
O=C(CCSc1ccc(Cl)cc1)N/N=C/c1cccc(Oc2ccccc2)c1	20248410	YGZUKHGHZGHGQJ-LFVJCYFKSA-N	410.926	5.765	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)cc1	33541938	AZKMJYNSKXPJRS-DEDYPNTBSA-N	401.560	6.669	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2F)cc1)C(=O)Nc1cccc2ccccc12	59254949	CGOFHDPCQOTZRV-CJLVFECKSA-N	422.459	6.104	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)ccc1OCC#N	59336499	AHVXEKVWFSPPSO-VBKFSLOCSA-N	412.276	5.170	50	40	HKGB	
CCCCCCCCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)O	100124702	WVCNLDJYKZNJTJ-IRLDBZIGSA-O	419.070	6.399	50	40	HKGB	
CCN1c2cc(C)c(/C=N/NC(=O)c3ccc(C)cc3OC)cc2[C@@H](C)CC1(C)C	223575425	TVHVKZRFOSPOBJ-CMPFEXHJSA-N	407.558	5.188	50	40	HKGB	
N#C/C(=C/c1cccn1-c1cccc(Br)c1)c1nc2ccc(F)cc2[nH]1	408569818	QERPFSKVARYFRI-LCYFTJDESA-N	407.246	5.319	50	40	HKGB	
CCOc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccccc3F)c2C)c1	408745313	LJDZCIMLWKGBIE-UYRXBGFRSA-N	403.457	5.178	50	40	HKGB	
CC1=CC(/C=C(/C#N)C(=O)NC(C)C)=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1	408786824	OGFNHXIHUDWZGP-RISWYLRJSA-N	412.533	5.600	50	40	HKGB	
O=C(CNc1ccc(F)cc1)N/N=C/c1c2ccccc2c(Cl)c2ccccc12	3237026	BHZMJHRMJYFZSC-UVHMKAGCSA-N	405.860	5.348	50	40	HKGB	
CCN(CC)c1ccc(C=C(C#N)C#N)c(OCc2ccc(Cl)cc2Cl)c1	4674114	SIJOAVUGUXEVAA-UHFFFAOYSA-N	400.309	5.849	50	40	HKGB	
C=CCc1cc(/C=C(/C#N)c2ccccc2F)cc(OCC)c1OCc1ccccc1	6656464	OAVUMSGSOVRCQF-KQWNVCNZSA-N	413.492	6.596	50	40	HKGB	
COc1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1	33695961	XAARKNGKIRNPDA-STZFKDTASA-N	422.484	5.854	50	40	HKGB	
Cc1ccc(CC(=O)N/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)c(C)c1	216049785	NGZYGXZXVYCMSE-STBIYBPSSA-N	423.560	5.616	50	40	HKGB	
Br[C@H]1[C@H]2CC[C@H](C2)[C@@H]1SS[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1Br	217400133	GDJQKRKZFGZASH-BEIYENSPSA-N	412.256	5.492	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=N\NC(=O)Nc2ccc(C)cc2C)c1C	408851178	JEMKEWXABPZRDV-YSMPRRRNSA-N	402.542	5.737	50	40	HKGB	
COc1ccc(CCCC(=O)N/N=C/c2ccccc2OCc2ccccc2)c(C)c1	408910095	WEJWCBHYDLKVDC-OVVQPSECSA-N	416.521	5.056	50	40	HKGB	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc1OC	408982579	IBAMUFTVQTYSJL-AUWJEWJLSA-N	405.281	5.255	50	40	HKGB	
N#C/C(=C/c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NC1CCCCC1	408982689	JMJXMJLFBUVUBR-RGEXLXHISA-N	401.485	5.185	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2cccc(OCc3cccc4ccccc34)c2)cc1	409361189	AJCWLRAXLHIXIC-CEUNXORHSA-N	422.528	5.674	50	40	HKGB	
CCOc1cc([C@H]2NC(=O)NC(C(C)(C)C)=C2C#N)ccc1OCc1cccc(C)c1	409367938	OQEMWVOYHFLZFC-JOCHJYFZSA-N	419.525	5.150	50	40	HKGB	
CCCc1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)cc1	2109668	FSCUDOGPVDMFEC-XGIRCXISSA-N	409.489	5.876	50	40	HKGB	
COc1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	4819026	RUSCXDSAKIXNAL-ZRDIBKRKSA-N	402.306	6.102	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc2ccccc2cc1O	18173453	LRPSXUWBGNUJCP-UVHMKAGCSA-N	424.378	5.588	50	40	HKGB	
O=[P@](Oc1cccc2ccccc12)(c1ccccc1)c1nc2ccccc2s1	101914565	RPYHHZBQZKFYNP-MHZLTWQESA-N	401.427	5.757	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3cccc4ccccc34)cc21	208246259	ILYIZMBZPPHUKX-ZXSUQFSISA-N	419.956	5.979	50	40	HKGB	
C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc(Cl)cc3)cc21	208249268	XCHYFLFVCVPLFK-LFWZTCNZSA-N	404.341	5.479	50	40	HKGB	
CCCCCCCCOc1c(Cl)cc(/C=N\NC(=O)c2ccccc2)cc1Cl	408540149	NTFOXIMSXCUJSY-XYGWBWBKSA-N	421.368	6.497	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C\c2ccc(OCc3ccccc3Cl)cc2)cc1	409363258	KZUHRMCMJFPJSP-QQXSKIMKSA-N	406.913	5.174	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)ccc1OCC(C)C	659652	GUKPDRITLKPXIU-VULFUBBASA-N	416.477	5.393	50	40	HKGB	
O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cccc(Cn2cccn2)c1	1081778	OTGNXXFZWFCRPH-WPWMEQJKSA-N	404.473	5.002	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1	4045920	GBGALRSVNPQGQI-BUVRLJJBSA-N	422.356	5.149	50	40	HKGB	
CC(/C=C\C=C\c1ccccc1)=N\NC(=O)[C@@H]1CC1(c1ccccc1)c1ccccc1	4567691	CYJYPIXUTIODNJ-QBFHXMQHSA-N	406.529	5.754	50	40	HKGB	
C[C@@H](Nc1ccc2ccccc2c1)C(=O)N/N=C/c1c2ccccc2cc2ccccc12	5739237	VZCQDPPSNGWZGM-YPKLGXIKSA-N	417.512	6.097	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c1	59432947	FKWAADYYRUHPIA-MHWRWJLKSA-N	420.852	5.461	50	40	HKGB	
CCCC[Sn](CCCC)(CCCC)c1cccc(N=C=S)c1	198044313	XHRHSJMUFRQMFD-UHFFFAOYSA-N	424.242	6.477	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	408779607	GGKHHMRICXYNFB-NLRVBDNBSA-N	417.578	5.589	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OC)cc1Cc1ccccc1F	408868321	LXVXWFDSOOAWCW-HYARGMPZSA-N	414.480	5.533	50	40	HKGB	
N#C/C(=C\c1cc(Br)c(O)c(Br)c1)c1nc2ccccc2o1	409044381	BRLDAPVHIIKRRL-BJMVGYQFSA-N	420.060	5.123	50	40	HKGB	
C=CCOc1c(CC=C)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1OCC	409084749	XXTUUAUYGWQCBU-CPNJWEJPSA-N	422.912	5.578	50	40	HKGB	
C[C@H](P)[C@H]1CCC[C@@H]1P(c1cccc2ccccc12)c1cccc2ccccc12	585656277	FJSLNVSKVUMXRX-SWHJIRTISA-N	414.469	6.858	50	40	HKGB	
CN(C)c1ccc(/C=C(\C#N)c2c(Br)cccc2Br)cc1	1597827	ZILMSJOTOQOOPU-JLHYYAGUSA-N	406.121	5.342	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C\Nc3cc(Cl)ccc3OC)n2)cc1	13777684	VAOFKSMTWRSOJH-QINSGFPZSA-N	411.914	5.847	50	40	HKGB	
CCCCCCCCC(=O)[C@H](C=C(C)C)P(=O)(c1ccccc1)c1ccccc1	98175070	OXAUEEWMXMZJLE-SANMLTNESA-N	410.538	6.655	50	40	HKGB	
N#C/C(=C\c1cn(Cc2cccc(Cl)c2)c2ccccc12)c1ccc(Cl)cc1	408580805	RTSLEPZPCMYJCU-CPNJWEJPSA-N	403.312	7.061	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1ccc(Cl)c(Cl)c1	408585904	KBRPAUUSWFYWMA-WQRHYEAKSA-N	414.719	7.290	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1Cl	408600072	SWKVAGVXNYDXIP-JFLMPSFJSA-N	421.972	6.117	50	40	HKGB	
CC(C)(C)c1cc(/C=N/NC(=O)c2ccc3ccccc3c2)cc(C(C)(C)C)c1O	408766478	RHMVJCCMHVPYOS-JVWAILMASA-N	402.538	5.904	50	40	HKGB	
COc1ccc(Cl)cc1NC(=O)/C(C#N)=C/c1c2ccccc2cc2ccccc12	408817513	UDOGYGWJVMORNJ-QGOAFFKASA-N	412.876	6.201	50	40	HKGB	
COc1ccccc1/C=N\NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl	408970785	KFOMSMRYEQSAGM-WNFQYIGGSA-N	413.713	5.634	50	40	HKGB	
CCN(CC)c1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3)c2C)cc1	409192962	GNOMNKPUMVMSCP-WGOQTCKBSA-N	422.960	5.358	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(F)cc1	1439499	KSPWFFOKDSROIJ-LDADJPATSA-N	406.844	5.604	50	40	HKGB	
N#C/C(=C\c1ccccc1OC(F)F)C(=O)Nc1ccccc1Oc1ccccc1	3260988	KKFSTWHQQOICFS-SAPNQHFASA-N	406.388	5.626	50	40	HKGB	
N#Cc1cc([N+](=O)[O-])ccc1[C@@H](Br)[C@@H](Br)c1ccccc1	4266308	OSZGSUAGFFSIGF-LSDHHAIUSA-N	410.065	5.039	50	40	HKGB	biogenic
O=C(COc1ccc(Cl)cc1)N/N=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1	12363762	FNEHTPNZCSMHNJ-GATIEOLUSA-N	422.790	5.148	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)cc1	20197241	XASIERDPNHCAKB-WGOQTCKBSA-N	422.912	5.472	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@@H](C)SCc2ccccc2)c(C)n1-c1ccc(F)cc1	28216773	KURHUMWSFZTAKS-VBYICHLGSA-N	409.530	5.005	50	40	HKGB	
Clc1ccc(S[C@@H]2C[C@H]3CN(Cc4ccccc4)[C@@H]2[C@@H]3Br)cc1	33376852	RUXRATSOLYSMAL-PIKADFDJSA-N	408.792	5.469	50	40	HKGB	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)Nc2sc3c(c2C#N)CCCC3)c(C)c1	33490968	SRZWBQXVKZTOKV-QGOAFFKASA-N	418.566	5.199	50	40	HKGB	
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C	68568919	OTVRYZXVVMZHHW-XPLHTOFXSA-N	405.110	8.635	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C\c1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C	260569729	RPOAADPWSBSWPJ-VXIUPONVSA-N	421.972	6.170	50	40	HKGB	
Cc1ccc(/C(C#N)=C/c2cc(Cl)ccc2OCC(=O)Nc2ccccc2)cc1	408579414	HCINVTKGCKAZEM-DEDYPNTBSA-N	402.881	5.730	50	40	HKGB	
CCc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)Nc3ccccc3Cl)c2C)cc1	408754522	NSCSRIJLBIZWFN-ZHZULCJRSA-N	403.913	5.856	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(Cc2cccc(F)c2)ccc2ccccc12	408880388	ISLWVSUREYVGHY-HAVVHWLPSA-N	420.487	6.424	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cccc(OCc2cccc(F)c2)c1	408936946	LMIKLDROCLHNBZ-GRSHGNNSSA-N	420.871	5.912	50	40	HKGB	
CCOc1cc(/C=C(/C#N)c2cccc3ccccc23)cc(Br)c1OC	6354876	PFCPAJMKDNNRCB-BOPFTXTBSA-N	408.295	6.074	50	40	HKGB	
C[C@@H]1CCc2c(sc3nc(/C(C#N)=C/c4c(Cl)cccc4Cl)[nH]c(=O)c23)C1	9443375	KQSZTQYKTQBFMX-MXBGMFSPSA-N	416.333	5.480	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(\C#N)C(=O)NCc3ccccc3)c3ccccc32)cc1	13896719	XPLYWBYFDOKTFM-HZHRSRAPSA-N	405.501	5.221	50	40	HKGB	
Cc1cc(/C=N/NC(=O)[C@H](C)Sc2ccccc2)c(C)n1-c1ccccc1Cl	28216414	SGIHXUWMTRTRTA-ZZQPOVDQSA-N	411.958	5.378	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1cccc(Cl)c1	59117053	BTCDOFCLWJZZIM-WOJGMQOQSA-N	423.299	6.118	50	40	HKGB	
C/C(CC(=O)Nc1cc(Cl)ccc1Cl)=N\NC(=O)C12CC3CC(CC(C3)C1)C2	100089879	FYXAHEPQXAPSBC-BRJLIKDPSA-N	422.356	5.031	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccccc2C#N)cc1)Sc1nc2ccccc2[nH]1	408599597	XEHDOPZNVLJOOK-FYJGNVAPSA-N	408.486	5.670	50	40	HKGB	
N#C/C(=C\c1ccccc1Cc1ccccc1Br)C(=O)Nc1ccccc1	408866347	FDBVRZUZFIVGMK-HMMYKYKNSA-N	417.306	5.586	50	40	HKGB	
Cc1cc(C)cc(Cc2ccc(/C=C(\C#N)C(=O)Nc3ccc(O)cc3)cc2Cl)c1	408874067	ZDVSHDHLUNCVNF-CIAFOILYSA-N	416.908	5.799	50	40	HKGB	
Cc1ccc(C(=O)O)cc1-c1ccc(/C=N\NC(=O)c2cc3cc(Cl)ccc3o2)o1	409016035	AWMNWEKLDUUWPY-MYKKPKGFSA-N	422.824	5.117	50	40	HKGB	
ClCCN(CCCl)Cc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1	1695619	QRCMFMBMEJCFPU-UHFFFAOYSA-N	408.760	5.911	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)cc1	20243958	FZXASWASMAGKRW-YZSQISJMSA-N	402.563	6.040	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)[C@H](C)Sc3ccccc3)c2C)c1	28216404	ICIPIXGWDWISAU-RASHHNMQSA-N	405.567	5.342	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1C	223167106	YEJFJWMYODUUAW-YBEGLDIGSA-N	411.288	6.416	50	40	HKGB	
CCOc1cc(/C=N/NC(=O)c2ccc(C)cc2)ccc1OCc1cccc(Cl)c1	408862044	WSEXVZJHKMLRPC-CVKSISIWSA-N	422.912	5.390	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)[C@@H](C)SCc3ccccc3)c2C)cc1	28216693	XZYXCUWJODOUOM-PXMCARDJSA-N	405.567	5.175	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1	48573800	YAERUWPHDWOGEH-JVWAILMASA-N	420.940	5.980	50	40	HKGB	
CCCCCCCC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](Cl)CC[C@]4(C)[C@@H]3CC[C@]12C	70664823	VPYNRYXSMJMETL-QHGKGOKPSA-N	405.110	8.923	50	40	HKGB	biogenic
CCCCCCCCCCOc1ccc(C(=O)N/N=C/C=C/c2ccccc2)cc1	100029033	VRQIKAVLFJBPJP-BZLMVBMKSA-N	406.570	6.635	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208208950	HXDKWVGPTFVTKK-ZGUVFNMESA-N	404.341	5.479	50	40	HKGB	
C[C@@H]([C@H]1CCC[C@@H]1P(c1ccco1)c1ccco1)P(C(C)(C)C)C(C)(C)C	261361439	TXXOLTAZYVLMPD-OTWHNJEPSA-N	406.487	6.941	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)cc1	408791747	BXCJBSKISJWZTE-XDHOZWIPSA-N	420.871	5.912	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1	408817848	OBZCGQUXGMXHMT-LGJNPRDNSA-N	422.315	5.760	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(OCc2ccccc2F)c1	408885517	BHMVWYPXUIXQFN-DEDYPNTBSA-N	416.452	5.267	50	40	HKGB	
N#Cc1ccc(C(=O)N/N=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)c(F)c1	408965799	IQPHVSGGEZONPW-VROXFSQNSA-N	402.212	5.028	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408968736	YLHOLMPCHZIISH-WGOQTCKBSA-N	403.526	5.164	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2C)o1	408985732	YFMJXTDHTCKNGN-RVDMUPIBSA-N	420.852	5.461	50	40	HKGB	
CC(C)COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccc(O)cc1	409048050	QSODQENGYUGAAK-VGOFMYFVSA-N	405.281	5.279	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl	409185336	XLWJNNRFKMDUAD-BHGWPJFGSA-N	404.272	5.304	50	40	HKGB	
COC(=O)c1c(NC(=O)/C(C#N)=C/c2cccc3ccccc23)sc2c1CCCC2	1453392	KNLACUBHLSYXPT-GHRIWEEISA-N	416.502	5.112	50	40	HKGB	
C[C@@H](Sc1nc2ccccc2s1)C(=O)N/N=C/c1c(Cl)cccc1Cl	1768159	OWGGOZUGOSNXBF-KTMXNEEYSA-N	410.351	5.234	50	40	HKGB	
CC1=CC2=C(c3ccc(C)cc3)c3ccccc3N(c3ccc(C)cc3)C2=C[C@H]1Cl	4522459	SHBINYYUGTXBDP-RUZDIDTESA-N	409.960	7.708	50	40	HKGB	
CC[C@H](C)c1ccc(OCC(=O)N/N=C\c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1	4784460	LICCDVHIQGNFIG-IMVGLAPISA-N	424.928	5.951	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	5792359	DBRFTLMFFYRPHH-RVDMUPIBSA-N	407.813	5.362	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)c1	6410744	XCVGOHCDIJRRGE-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1	8462331	DQHPQQCGYOZJJY-OAQYLSRUSA-N	406.938	5.702	50	40	HKGB	
Cc1ccc(CSCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	28215875	ZWDIYXONNLDEGP-VULFUBBASA-N	419.594	5.403	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)CSc3ccc(Cl)cc3)c2C)c1	28216210	LNZOHWMPIZGMKF-ZMOGYAJESA-N	411.958	5.298	50	40	HKGB	
CC(C)[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccc2c(c1)OCCCO2	58265187	HYKXCPDLIFSBJL-LAUBAEHRSA-N	409.617	5.375	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(F)c3)c2)cc1C	59297359	QIHORYSGTSLYME-MTJSOVHGSA-N	400.453	5.567	50	40	HKGB	
COc1ccc(C(=O)N/N=C/c2ccc(OCc3cccc4ccccc34)cc2)cc1	59447413	VIYISGIDOQRKJK-WPWMEQJKSA-N	410.473	5.191	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccccc3Cl)o2)cc1Br	408589940	NNDACKGUTKEXEE-SSDVNMTOSA-N	417.690	5.435	50	40	HKGB	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)o1	1454145	DAPFAQCRUHANDI-NTUHNPAUSA-N	418.305	5.488	50	40	HKGB	
CSc1ccc(/C=N/NC(=O)c2cc3cc(Oc4ccccc4)ccc3n2C)cc1	4662913	HNZACRCTDNNSGE-PCLIKHOPSA-N	415.518	5.456	50	40	HKGB	
CN1/C(=C(\C#N)C(=O)CSc2c(Cl)cccc2Cl)Sc2ccccc21	8232327	FVFXFVJWIOQHRK-WQRHYEAKSA-N	407.347	5.632	50	40	HKGB	
CN(C)/C=C1\C(=O)N(c2c(Cl)cccc2Cl)c2cc(C=C(C#N)C#N)ccc21	17299599	XYJQSFSZPWCNKF-VBKFSLOCSA-N	409.276	5.005	50	40	HKGB	
N#C/C(=C\c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1	408553261	NGTLLFYBEWGQRJ-LDADJPATSA-N	423.299	6.075	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(N3CCCC3)cc2)c1C	408675974	CYMKZWPJGYAEGP-WPWMEQJKSA-N	414.553	5.075	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2Cc2cccc(F)c2)cc1	408876534	PTHFNHYNZCDZSX-DEDYPNTBSA-N	404.872	5.924	50	40	HKGB	
CCc1cccc(C)c1-n1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2)c1C	408960256	KIFSIYDZSCXJQD-BKUYFWCQSA-N	417.940	6.164	50	40	HKGB	
COc1cccc(/C=C(/C#N)c2cccc(F)c2)c1OCC(=O)Nc1ccc(C)cc1	409394200	XBVBBFRUCZZZTM-MOSHPQCFSA-N	416.452	5.224	50	40	HKGB	
Cc1ccc(S[C@@H](C(=O)c2ccc(C)cc2)[C@@H](Cl)c2cccc(Cl)c2)cc1	4576093	CMHMNBBOAYDXJT-JTHBVZDNSA-N	415.385	7.281	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	5678063	VCYWQSQGBAJCAR-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
Cc1cc(-c2n[nH]c3c2[C@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)c(C)s1	6300277	GKSRMBMBTWSOPU-OAHLLOKOSA-N	417.321	5.280	50	40	HKGB	
Cc1ccc(/C=C(/C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1[N+](=O)[O-]	9075696	YATNGIYBOGMMNQ-PXNMLYILSA-N	415.430	5.197	50	40	HKGB	
N#CC1=C2SCN(c3cccc(Cl)c3)CN2C(=O)C[C@@H]1c1ccccc1Cl	9693158	JQQGESUSSRTXHB-MRXNPFEDSA-N	416.333	5.213	50	40	HKGB	
CC(C)(C)c1ccc(/C=N/NC(=O)CSCc2cccc(Br)c2)cc1	20243942	BUTVXMVJUXATDI-WSDLNYQXSA-N	419.388	5.130	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)Nc3cccc(C)c3)c3ccccc32)cc1	34705071	VFUNECDQXKUTGD-JCMHNJIXSA-N	405.501	5.852	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2cccc3ccccc23)cc1)C(=O)Nc1ccc(F)cc1	59534950	MYRYRMIBTNLJRC-CJLVFECKSA-N	422.459	6.104	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)Sc3nc4ccccc4s3)c2C)c1	107832073	HMWRJVWNNYMBHW-DEDYPNTBSA-N	401.560	6.669	50	40	HKGB	
CCCOc1cc(Br)c(/C=C(\C#N)c2ccc(C)cc2)cc1OCC	408578880	BKQAUNXOMGBZHS-WOJGMQOQSA-N	400.316	6.009	50	40	HKGB	
N#C/C(=C/c1ccc(Sc2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	408752596	INEBYFKHPCRRPA-RAXLEYEMSA-N	415.301	6.283	50	40	HKGB	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(Cl)c2)c1C	408763853	PHDSOFNXNVUEKN-ZDLGFXPLSA-N	424.331	6.255	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C/c2c(-c3ccccc3)[nH]c3c(OC)cccc23)cc1	408839984	DVSMRQYHZLCGKY-OBGWFSINSA-N	423.472	5.398	50	40	HKGB	
CCCCCCCCCCCCN(N)C(=O)CCCCCCCCCCCNN	521825342	VPQKXFGZGQYJSK-UHFFFAOYSA-N	412.707	5.974	50	40	HKGB	
Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3cc4c(ccc5ccccc54)o3)c2C)c1	2161490	MEMGBOITYPWCSK-LQKURTRISA-N	421.500	6.066	50	40	HKGB	
COc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(-c2ccc(CC(C)C)cc2)cs1	5023291	JNMWZVPKCUTOHA-YBFXNURJSA-N	419.506	5.990	50	40	HKGB	
O=C(N/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)c1ccc(F)cc1	8812055	AJCBXISETUAWGI-BRJLIKDPSA-N	417.267	5.475	50	40	HKGB	
Cc1cc(C(=O)N/N=C/c2ccccc2C(F)(F)F)c(C)n1-c1ccc(F)cc1	9218333	XJQPTXGLLJNHAY-RPPGKUMJSA-N	403.379	5.016	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc(Br)c1OCC	32799012	INNNAPKPRSUADD-NTEUORMPSA-N	412.287	5.187	50	40	HKGB	
COc1cc(/C=C(\C#N)c2nc3ccccc3s2)ccc1OC(=O)c1ccco1	35154865	SKEXPWANJUUAHE-RVDMUPIBSA-N	402.431	5.181	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1	59233159	SMINCANEBDJARJ-ATVHPVEESA-N	415.320	5.538	50	40	HKGB	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc12	408735796	XVVGDZSRSNPCBB-XMHGGMMESA-N	418.924	6.526	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc(Br)cc2)c(C)n1-c1ccc(N(C)C)cc1	408741685	RNZWZPRXALGBHB-XSFVSMFZSA-N	420.354	5.987	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl	408745326	LQBWAFNPDNTQQC-ZROIWOOFSA-N	403.265	5.112	50	40	HKGB	
CCOc1cc(/C=N\NC(=O)c2cc3ccccc3o2)ccc1OCc1ccccc1	408851145	VPVZXEHLKYZCEY-QQXSKIMKSA-N	414.461	5.174	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)c1C	408938811	RQCROXGVIQKSRU-MTJSOVHGSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1ccc(OC(F)F)cc1)C(=O)N1c2ccccc2Sc2ccccc21	3179401	VQYZIWFCNWJEHJ-DTQAZKPQSA-N	420.440	6.024	50	40	HKGB	
CCCCCN1C(=O)/C(=C(\C#N)C(=O)Nc2cccc3ccccc23)c2ccccc21	3307195	UXSSCVZHQHWCII-DARPEHSRSA-N	409.489	5.292	50	40	HKGB	
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)C12CC3CC(CC(C3)C1)C2	5445382	HCMPBIMXQIWXFA-OGLMXYFKSA-N	424.548	5.206	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C(F)(F)F)n2)cc1OC	8742501	KOVPNJDZXGNZDP-OQLLNIDSSA-N	416.424	5.910	50	40	HKGB	
CCC[C@H](Br)C(=O)Nc1nc2c(CC)cc(Br)cc2s1	20132647	MWCVONXADAMEDX-JTQLQIEISA-N	420.170	5.123	50	40	HKGB	
N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)NCc1cccs1	59534433	XJMPVVPZMIFJQD-XYOKQWHBSA-N	403.290	5.538	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccccc1-n1cccc1)[C@H](C)CC(C)(C)N2C	208210942	IFXJBKORXNMHGE-IPISDEMTSA-N	414.553	5.272	50	40	HKGB	
Cc1ccc(COc2c(Cl)cc(/C=C(\C#N)c3ccc(C)cc3)cc2Cl)cc1	209405880	UMPLDDLJKZDZNM-SRZZPIQSSA-N	408.328	7.253	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(C#N)c2)ccc1OCc1ccccc1Cl	408566441	GMBNCKFOWHOAFU-NHDPSOOVSA-N	400.865	5.863	50	40	HKGB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)o1	408735203	OIUSCRFCWFHQPD-GXDHUFHOSA-N	407.813	5.362	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1cc(C)cc(C)c1	408817619	NPZXZIFUZOISBG-GZTJUZNOSA-N	411.299	5.176	50	40	HKGB	
O=C(N/N=C\c1ccc(Cl)cc1Cl)c1sc2cc(Cl)ccc2c1Cl	408972253	OHERROGIEWMVQT-YXSASFKJSA-N	418.132	6.279	50	40	HKGB	
Cc1cc(/C=N\NC(=O)c2ccc3ccccc3c2)c(C)n1-c1ccccc1Cl	408997650	SFAOZGUZPJBICQ-YSMPRRRNSA-N	401.897	5.665	50	40	HKGB	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1	409203502	YILJNBXSGDSJKQ-LDADJPATSA-N	422.282	5.829	50	40	HKGB	
CCOC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)c2C)c1	409212035	PGMATHFYRXZHBG-BKUYFWCQSA-N	415.449	5.243	50	40	HKGB	
CC(C)(C)C1=C(C#N)[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)NC(=O)N1	409367577	FLQAMKCAQUBBHS-HSZRJFAPSA-N	411.505	5.596	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cc4ccccc4cc3O)ccc21	1948094	WHNDKLKQLZIDAD-JVWAILMASA-N	407.473	5.437	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)cc1C(F)(F)F)c1nc(-c2ccc(F)cc2)cs1	2206686	BAYRWQLLXLOPBZ-FMIVXFBMSA-N	423.822	6.598	50	40	HKGB	
CC/C(=N\NC(=O)c1sc2ccccc2c1Cl)C12CC3CC(CC(C3)C1)C2	4651596	XHCJBOINTSAFHL-HKOYGPOVSA-N	400.975	6.267	50	40	HKGB	
Cc1ccc(-c2csc(/C(C#N)=C\Nc3ccc(Cl)cc3Cl)n2)cc1C	13774832	CLHFRKPKIPPLBQ-GDNBJRDFSA-N	400.334	6.710	50	40	HKGB	
Cc1ccc2c(Cl)c(C(=O)N/N=C\c3ccc(Br)cc3)sc2c1	33738933	CCAPHFOXUQJKKA-UKWGHVSLSA-N	407.720	5.390	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)ccc2OCc2ccccc2)cc1	59282176	OSTBJJMYXHNIGK-KGENOOAVSA-N	416.908	6.027	50	40	HKGB	
O=C(N/N=C/c1ccc2c3c(cccc13)CC2)c1ccc(CSc2ccccc2)cc1	59474309	OMBUMNDZKZOKPO-OGLMXYFKSA-N	422.553	5.995	50	40	HKGB	
COc1cc2ccccc2cc1C(=O)N/N=C/c1ccccc1OCc1ccc(C)cc1	107965968	RYUGGAQTYXWDIO-OGLMXYFKSA-N	424.500	5.500	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(Cl)ccc3C)c2C)cc1C	223167666	NPHATNQKJQZNEG-MTJSOVHGSA-N	417.940	6.218	50	40	HKGB	
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccccc3C#N)cc2)cc1	408599209	PZHWLXNNHWJCSD-OGLMXYFKSA-N	411.505	5.199	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)ccc1OCc1ccccc1	408798410	DYPWFBLOFCKKNE-BILPJVECSA-N	418.537	5.266	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2ccccc2F)c1)C(=O)Nc1ccccc1Cl	408936468	JZWFLPANSQTZGM-PDGQHHTCSA-N	406.844	5.604	50	40	HKGB	
O=C(N/N=C\c1ccc(-c2ccccc2)o1)c1cc2cc(Br)ccc2o1	408953568	WQPRLPKFXCNNCH-UUYOSTAYSA-N	409.239	5.219	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)cc1	409109988	PAPCANCLNNCLOI-KOEQRZSOSA-N	404.535	5.207	50	40	HKGB	
Cc1ccc(Cl)cc1-c1ccc(/C=N/NC(=O)CSc2ccc(Cl)cc2)o1	409217922	RQQVRDIONAGDDG-FOKLQQMPSA-N	419.333	5.804	50	40	HKGB	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1	2133817	ONQMUCBXFXBDBS-BGYRXZFFSA-N	408.586	5.138	50	40	HKGB	biogenic
CCCCCCOc1ccccc1/C=N/NC(=O)COc1ccc(CCCCC)cc1	4187548	URTDWESVJUELAQ-NHFJDJAPSA-N	424.585	5.908	50	40	HKGB	
CC(C)OC(=O)c1ccc(N/C=C(\C#N)c2nc(-c3ccc(F)cc3)cs2)cc1	17113493	CORBMPCPELPLNR-SFQUDFHCSA-N	407.470	5.491	50	40	HKGB	
CCCOc1ccc(C(=O)N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1	20197411	HCJJQYNWISQFFB-ZMOGYAJESA-N	417.292	5.806	50	40	HKGB	
COc1cc(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)ccc1OCc1cccc(C)c1	33781704	KZPKEPLHMMGSEU-BKUYFWCQSA-N	409.489	5.832	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCc1ccc(Cl)cc1	58823177	AKCKUOSKEVTBJX-XSFVSMFZSA-N	402.881	5.773	50	40	HKGB	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(-c2ccccc2Cl)on1	65491142	DWDXFWXCYFZCJS-UHFFFAOYSA-N	417.079	5.712	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2ccc(C(F)(F)F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408772901	NWWMPAWSBKTREU-QNGOZBTKSA-N	422.494	7.475	50	40	HKGB	
O=C(N/N=C\c1ccc(F)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl	408970071	ZTWWNCXUYSOVNH-YXSASFKJSA-N	401.677	5.765	50	40	HKGB	
C#CCOc1c(Br)cc(/C=C(\C#N)c2ccccc2)cc1Br	409045505	YUUAQRFFKQBLBU-OQLLNIDSSA-N	417.100	5.288	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1	868446	FUPSHFGEBSMLQS-XNTDXEJSSA-N	406.825	5.152	50	40	HKGB	
c1ccc2sc(NCCSSCCNc3nc4ccccc4s3)nc2c1	1561348	BFRPCSUPHDDASD-UHFFFAOYSA-N	418.638	5.811	50	40	HKGB	
CCOc1cc(Br)c(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)cc1OCC	34882905	UFEIIUVQEVHXKX-NVNXTCNLSA-N	417.259	5.219	50	40	HKGB	
O=C(Cc1cccc(C(F)(F)F)c1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1	59136581	PTZUBOVMKJSQAT-BRJLIKDPSA-N	406.791	5.312	50	40	HKGB	
C=COc1ccc(/C=C2\CCCC3=C2OC(c2ccccc2)=CC3=C(C#N)C#N)cc1O	96346792	VLRIQBVGBAFUKB-DEDYPNTBSA-N	420.468	6.151	50	40	HKGB	
COc1cc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1C	103592154	XWEFDXNATGWPPT-RIYZIHGNSA-N	419.433	5.110	50	40	HKGB	
Cc1cccc(Cn2cc(/C=C(\C#N)C(=O)N[C@H](C)c3ccccc3)c3ccccc32)c1	408817892	UTOOQNDFZKCIOI-KCOUNZPASA-N	419.528	5.782	50	40	HKGB	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2F)cc1	408982698	DXRRQAPGYBVALV-UYRXBGFRSA-N	420.871	5.912	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)c(OCC(C)C)c(Cl)c1	409038670	ANJHOHODBJFYEU-LZYBPNLTSA-N	403.309	5.882	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Sc3ccc(Cl)cc3)cc2)cc1	409106473	MGUBJHUFBAFSMK-CYVLTUHYSA-N	418.949	6.599	50	40	HKGB	
CCOc1ccc(-n2c(C)cc(/C=N\NC(=O)Nc3cc(C)cc(C)c3)c2C)cc1	409186338	AOZBNZUQBJDGMY-MYYYXRDXSA-N	404.514	5.265	50	40	HKGB	
CCOc1ccc(-c2csc(/C(C#N)=C/Nc3cccc(C(F)(F)F)c3)n2)cc1	2270411	VCYAOCXCWBGJLL-NTCAYCPXSA-N	415.440	6.204	50	40	HKGB	
Cc1ccc(NCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1	3059350	DXJZMNGLYJXCMK-BHGWPJFGSA-N	402.281	5.124	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C3/CCCc4ccccc43)c3ccccc3n2)cc1	32565540	NWINMUAWFUNGKQ-GNVQSUKOSA-N	405.501	5.681	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c1C	59201488	QNQGAYRMNGWQLH-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccccc1Cl)c1nc2ccc(F)cc2[nH]1	408567562	FQJUWWGZUVMXKR-BOPFTXTBSA-N	403.844	5.999	50	40	HKGB	
O=C(N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)c1ccc2ccccc2c1	408722205	FEXUAQZBANWXDX-ZMOGYAJESA-N	419.824	5.425	50	40	HKGB	
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)o1	408787921	HNVHVDUMHSFPQT-LFIBNONCSA-N	417.421	5.026	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccccc2)cc1C	408800666	QKMJBVPSTISUEN-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
COc1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)[nH]c2c1	409391987	MJBQXMYCNHUOSV-UYRXBGFRSA-N	411.509	5.109	50	40	HKGB	
CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CCl)c1ccccc1CC2	869964	XKZNGGYDTOJLLT-UHFFFAOYSA-N	412.961	5.844	50	40	HKGB	
O=C(COc1ccccc1Cl)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1	3032012	AOYZHXWBKRIHKT-AUEPDCJTSA-N	423.683	5.436	50	40	HKGB	
C[C@H]1CCc2c(sc(NC(=O)CCl)c2C(=O)c2ccc(C(C)(C)C)cc2)C1	3426841	HVLZPJWVPMKJQE-ZDUSSCGKSA-N	403.975	5.579	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(F)cc1	4502032	HPEGIVKCYPOROE-XSFVSMFZSA-N	422.500	5.159	50	40	HKGB	
CC(C)c1ccccc1N/C=C(\C#N)c1nc(-c2ccc(Cl)cc2Cl)cs1	4805903	WZNDFIMFLJKNHP-SDNWHVSQSA-N	414.361	7.217	50	40	HKGB	
Cc1cc(Br)c(C)c2sc(NC(=O)[C@@H](Br)C(C)C)nc12	20133295	SUAJDPLMZVTDJS-JTQLQIEISA-N	420.170	5.034	50	40	HKGB	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)cc1OC	33381629	XBBTUNFGDHGONN-PTNGSMBKSA-N	419.308	5.727	50	40	HKGB	
CCN1c2cc(C)c(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C	223577214	YZKCSJJMTZHVSH-BEWREHSGSA-N	421.972	6.306	50	40	HKGB	
CCOc1cc(/C=C(\C#N)c2ccc(OC)c(OC)c2)ccc1OCc1ccccc1	408579737	JWABUIJDTPZHQM-HYARGMPZSA-N	415.489	5.746	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc3ccccc3c2)c1	408797569	RYYAUZIKOUALPZ-KOEQRZSOSA-N	418.496	6.273	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCc2cccc(Cl)c2)c(C)c1	408804763	BFSAPGHCHPFBIP-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)cc1)c1ccccc1Cl	409106220	MPIVEJALVPCMEN-YDZHTSKRSA-N	401.318	5.909	50	40	HKGB	
O=C(N/N=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)Nc1ccccc1Cl	409188140	BBEASYLKVGCDAL-NHDPSOOVSA-N	411.874	5.116	50	40	HKGB	
CCc1ccc(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1	409365991	XAJLOZBAGXRRPQ-ZMOGYAJESA-N	401.293	5.509	50	40	HKGB	
CC(C)Cc1ccc(-c2n[nH]c3c2[C@@H](c2c(F)cccc2Cl)C(C#N)=C(N)O3)cc1	985880	HUZFGXUSKFSQBA-GOSISDBHSA-N	422.891	5.286	50	40	HKGB	
Cc1occc1C(=O)N/N=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12	3167180	ZVOQLAKFISZHSD-MTDXEUNCSA-N	419.484	5.963	50	40	HKGB	
COc1ccc2cc(Br)ccc2c1/C=C(\C#N)c1nc2ccccc2[nH]1	5387029	DOEWOAOMGIZGQI-SDNWHVSQSA-N	404.267	5.551	50	40	HKGB	
CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1O	7156180	OFOQTGZAHWFNKT-WUXMJOGZSA-N	410.779	5.009	50	40	HKGB	
N#C/C(=C\Nc1ccc2cn[nH]c2c1)c1nc(-c2cccc(Br)c2)cs1	9008488	WEWZDHDGLUNFLV-NTEUORMPSA-N	422.311	5.425	50	40	HKGB	
O=C(N/N=C/c1cccn1-c1ccc(Cl)cc1)c1cc2cc([N+](=O)[O-])ccc2s1	33683828	NPEBKBRWNFTWLQ-WSDLNYQXSA-N	424.869	5.018	50	40	HKGB	
O=C(N/N=C\c1c(O)ccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl	109217924	TVTKRKPZMUCCMB-RMORIDSASA-N	415.301	5.831	50	40	HKGB	
Cc1cc2c(cc1/C=N/NC(=O)c1ccc(Cl)c(Cl)c1)[C@H](C)CC(C)(C)N2C	208211965	XOGHMYARXONSAF-KWRYHKOTSA-N	418.368	5.788	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(OCc2cccc3ccccc23)cc1	408803814	ATJXBBZXJYRROD-AHCDUASYSA-N	424.544	6.021	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)c2C)cc1	408808241	FRGVOCONEBTVRE-DEDYPNTBSA-N	403.913	5.910	50	40	HKGB	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)n1-c1ccc(C(C)(C)C)cc1	408811474	RCWKMLQDXVKSCD-MDWFFOOQSA-N	417.597	5.994	50	40	HKGB	
CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=C(/C#N)c1nc2ccccc2[nH]1	4741549	BIVVOOXBFZPULP-DLFJBECYSA-N	412.493	5.028	50	40	HKGB	
Cc1cc(-c2n[nH]c3c2[C@@H](c2ccc(Cl)c(Cl)c2)C(C#N)=C(N)O3)c(C)s1	6300265	GKSRMBMBTWSOPU-HNNXBMFYSA-N	417.321	5.280	50	40	HKGB	
N#C/C(=C\c1ccc([C@@H]2C[C@@H]2c2ccccc2)o1)C(=O)Nc1ccc(Cl)c(Cl)c1	9489492	AGEDWEAXZSVYNK-PDQLOIDKSA-N	423.299	6.403	50	40	HKGB	
COC(=O)c1cccc(-n2c(C)cc(/C=C(/C#N)c3nc4ccc(C)cc4[nH]3)c2C)c1C	33626545	TZCDUBHIGVOWOP-MOSHPQCFSA-N	424.504	5.438	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(OCc3cccc(F)c3)cc2)c1	59201267	WZMFKHINZXIZAQ-FYJGNVAPSA-N	400.453	5.567	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3cccc(Cl)c3)c2)cc1	59297013	GCCPMJWHDUPPBM-UNOMPAQXSA-N	418.880	5.473	50	40	HKGB	
c1ccc(C[P+](Cc2ccc3ccccc3c2)(c2ccccc2)c2ccccc2)cc1	68569440	KBUVNWUBAAMTJZ-UHFFFAOYSA-N	417.512	7.209	50	40	HKGB	biogenic
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1Cl)[C@H](Br)C2=O	100492678	VOVBTBDAIMOLGY-DQYPLSBCSA-N	419.146	5.091	50	40	HKGB	
Cc1ccccc1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)OC(C)(C)C)C(=O)O	169840664	YPMYGFWDPRPTSM-IRXDYDNUSA-N	409.599	5.036	50	40	HKGB	
CC1=CC(C)(C)N(C)c2cc(C)c(/C=N/NC(=O)c3ccc(Cl)cc3Cl)cc21	208458086	ULCCDTOTSJOPIC-BRJLIKDPSA-N	416.352	5.697	50	40	HKGB	
CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=N\NC(=O)CCc3ccccc3)cc21	223503977	USPKAWNWFXAKOZ-PKAZHMFMSA-N	403.570	5.488	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccccc2OCc2ccccc2Cl)cc1OC	408583676	WIJKWYXGJMSXPQ-DEDYPNTBSA-N	405.881	6.000	50	40	HKGB	
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Br)cc3)c2C)c(C)c1	408869817	UDSGCQMDGCVQQG-ZMOGYAJESA-N	424.342	5.237	50	40	HKGB	
COc1ccc(CC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1	408967629	RHUQBWMMUBTGDP-PKAZHMFMSA-N	417.553	5.093	50	40	HKGB	
CC[C@H](C)Oc1ccc2ccccc2c1/C=N\NC(=O)c1cc2cc(Cl)ccc2o1	409023280	WNIJAPOXJXDYLS-OPAMSOAESA-N	420.896	6.181	50	40	HKGB	
Cc1ccc(Cn2cc(/C=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)c3ccccc32)cc1	409235311	BDQOKMQCWNLRLV-MVUTXWCHSA-N	419.528	5.782	50	40	HKGB	
N#C/C(=C\c1csc(-c2cccc([N+](=O)[O-])c2)n1)c1nc(-c2ccccc2)cs1	584906872	BJMYCJCJGAXXBQ-CXUHLZMHSA-N	416.487	5.906	50	40	HKGB	
N#CC1=C(N)Oc2c(sc3ccccc23)[C@H]1c1cccc(OCc2ccccc2)c1	3350315	AJVYFQLYXBCOAX-QFIPXVFZSA-N	410.498	5.698	50	40	HKGB	
Cc1ccccc1[C@H]1CC(=O)N2CN(c3cccc(Cl)c3C)CSC2=C1C#N	4922579	HEALSRDUNYPXIP-QGZVFWFLSA-N	409.942	5.176	50	40	HKGB	
N#CC(=N\Nc1ccccc1Cl)/C(=C(\C#N)C(=O)c1ccccc1)c1ccccc1	5584372	CXVUCZNUTLZNTK-XIEZZOQYSA-N	410.864	5.492	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1	6864647	QXEGGEUURLNGAD-AQTBWJFISA-N	405.486	5.608	50	40	HKGB	
CCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	40948874	UHYULDOWMKQQHM-OQKWZONESA-N	412.489	5.600	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccc(Cl)cc2)c1)C(=O)Nc1ccc(Cl)cc1	59116903	HDUBGRXPYMYQCV-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3Cl)cc2)cc1	59433632	JYKALJTZBJMQRP-RCCKNPSSSA-N	416.908	6.027	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)cc2[C@H](C)CC1(C)C	260569773	RYWIOWXHPVDJHQ-UUMRFZBWSA-N	401.554	5.411	50	40	HKGB	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc3ccccc3c2)cc1Br	408550522	HNZIYEXFPIORIR-BKUYFWCQSA-N	405.339	6.513	50	40	HKGB	
Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)c3ccc(Cl)cc3)c2)cc1	408579230	DYKWAUDYYSHUDC-CPNJWEJPSA-N	409.894	5.480	50	40	HKGB	
COc1ccccc1C(=O)N/N=C/c1cc(C)n(-c2ccc(Cl)c(Cl)c2)c1C	408591927	WNKOXRDKOSNWCA-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccccc3F)nn2-c2cccc(C)c2)cc1	408725400	OONMBCCRKNPYRS-JVWAILMASA-N	412.468	5.059	50	40	HKGB	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OC(C)C)c(Br)c2)c1C	408799311	KFLCYUNZKXSYFI-LICLKQGHSA-N	413.315	5.399	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(Cc3cccc(F)c3)ccc3ccccc23)cc1	408884862	VSIKMUPKKPPELC-HAVVHWLPSA-N	420.487	6.424	50	40	HKGB	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1Cl	409046373	KICLPOHQISBXDQ-NTEUORMPSA-N	405.281	5.336	50	40	HKGB	
C/C(=N\NC(=O)CCc1ccccc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1	409141455	IQUYWZMJEJNQRM-WPWMEQJKSA-N	419.912	5.065	50	40	HKGB	
O=C(Cc1cccs1)N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1	409193860	GGAJCGYLWXJADA-FSJBWODESA-N	419.333	5.327	50	40	HKGB	
C[C@H](Br)CN(C[C@@H](C)Br)c1ccc(-c2ccccc2)cc1	1557983	VVSWJIINKNWIDS-GASCZTMLSA-N	411.181	5.727	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/C=C/c3ccco3)c3ccccc3n2)cc1	2109481	VPZJWSQFCSCBNQ-BKQUGGGYSA-N	423.516	6.437	50	40	HKGB	
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)N(CCCl)N=O)CC[C@@H]12	5440298	SALYBQYJYPDVQY-GRPBBMKTSA-N	424.969	5.326	50	40	HKGB	
COc1ccc(NC(=O)/C(C#N)=C\c2cn(Cc3ccc(C)cc3)c3ccccc23)cc1	6266926	QIWFRQIUAZYYEL-QNGOZBTKSA-N	421.500	5.552	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C(\CC(C)C)c3ccccc3)c3ccccc3n2)cc1	8150748	KIORWSZOWGCCOR-KDJFERLWSA-N	421.544	6.390	50	40	HKGB	
COc1ccc2[nH]c(/C(C#N)=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)nc2c1	9263643	DFZDMVPNTKRMLR-JLHYYAGUSA-N	413.462	5.256	50	40	HKGB	
C/C(=N\NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1)c1ccccc1F	12659959	RIFGNXFKTVOZQC-MTDXEUNCSA-N	418.512	5.856	50	40	HKGB	
CCN1c2ccc(/C=C(/C#N)C(=O)Nc3ccc(OC)cc3)cc2[C@@H](C)CC1(C)C	223532008	KOLQNQGCWFGPDO-NFBGKYEXSA-N	403.526	5.353	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	408810738	KLFOLOYNSDMIQI-FYJGNVAPSA-N	416.908	6.082	50	40	HKGB	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	408887143	OIQAONSPPMSSTG-LFIBNONCSA-N	419.824	5.586	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1ccc(Cl)cc1	409365839	YSKYWCHGNPKLPD-UYRXBGFRSA-N	424.725	6.746	50	40	HKGB	
COC(=O)c1ccc(Cn2cc(/C=C(/C#N)c3ccc(F)cc3)c3ccccc32)o1	409389289	ASAZMAVADNSTPH-ATVHPVEESA-N	400.409	5.272	50	40	HKGB	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(C)cc1	1114460	ZXMAYNIKAIBMQY-FYJGNVAPSA-N	400.434	5.555	50	40	HKGB	
O=C(CCCCl)Oc1ccc(Sc2ccccc2[N+](=O)[O-])c2ccccc12	3191344	QVXRUIJFZXSECQ-UHFFFAOYSA-N	401.871	5.824	50	40	HKGB	
O=C(N/N=C/c1cccc(OCc2cccc3ccccc23)c1)[C@H]1C[C@@H]1c1ccccc1	5533848	LHEUOOVIIQDUQZ-WQPBNEPESA-N	420.512	5.673	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2c(Cl)cccc2Cl)c1)c1nc2ccccc2[nH]1	11990329	MNGAEPAFTSLZOP-LFIBNONCSA-N	420.299	6.513	50	40	HKGB	
Cc1ccc(COc2ccc(Cl)cc2/C=N/NC(=O)Cc2ccc(C)cc2C)cc1	20195009	VDLWLUZKMYHRDK-JFLMPSFJSA-N	420.940	5.537	50	40	HKGB	
CCCCCOc1ccc(/C(C)=N/NC(=O)CSc2nc3ccccc3o2)cc1	59417062	CCDIXQKWAYLQIT-LFVJCYFKSA-N	411.527	5.029	50	40	HKGB	
ClC1=C(Cl)[C@]2(Cl)[C@H]3[C@H](Cl)[C@]4(Cl)O[C@@H]4[C@H]3[C@@]1(Cl)C2(Cl)Cl	103646952	VWGNQYSIWFHEQU-OQWSECCVSA-N	423.765	5.019	50	40	HKGB	
CC(C)N1c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3)cc2[C@@H](C)CC1(C)C	223549907	MAZLKFQCUALEKS-BEWREHSGSA-N	421.972	6.386	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)cc1OC	408584088	ZYFCKWPDCROKQZ-VXLYETTFSA-N	423.871	6.139	50	40	HKGB	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Br)c2)c2ccccc12	408761369	IYHUZPUAIXQHGN-PTNGSMBKSA-N	407.267	5.157	50	40	HKGB	
Cc1cc(C)c(COc2ccc(/C=C(\C#N)C(=O)NCCc3ccccc3)cc2)c(C)c1	408817784	WTDMYFJTYVRUKJ-KOEQRZSOSA-N	424.544	5.457	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)s1)c1cccc(Cl)c1	409021773	XZKVYWFRGBFLKJ-SRZZPIQSSA-N	407.347	5.970	50	40	HKGB	
CCCOc1ccc(/C=N/NC(=O)CSCc2c(Cl)cccc2Cl)cc1	409116136	KVCRJQWHJUYRHT-SSDVNMTOSA-N	411.354	5.166	50	40	HKGB	
O=C(CNc1cccc2ccccc12)N/N=C/c1ccc(-c2ccccc2Cl)o1	4045785	SYXVDHWUVCEPQF-VULFUBBASA-N	403.869	5.315	50	40	HKGB	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)c2nc(-c3ccco3)cs2)o1	4304295	FHLNMTPVLFNFJH-SDNWHVSQSA-N	402.431	5.514	50	40	HKGB	
COc1cc(/C=C(\C#N)c2cccc3ccccc23)ccc1OCc1cccc(C)c1	6478778	DXGBEWYYLKMXNF-LFVJCYFKSA-N	405.497	6.800	50	40	HKGB	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O)c1ccccn1	35168408	CSEOFISITHZVFF-RGEXLXHISA-N	416.440	5.105	50	40	HKGB	
N#C/C(=C\c1ccc(OC(=O)c2ccco2)cc1)C(=O)Nc1cccc2ccccc12	59282240	NCYKDTRCJMPZQY-XDJHFCHBSA-N	408.413	5.198	50	40	HKGB	
Cc1cc2nc3c(nc2cc1C)[C@@]1(CBr)CC[C@@H]3[C@]1(C)CBr	100920279	OVZPVJQBSKKHDB-IGNZVWTISA-N	424.180	5.172	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(OCc3ccccc3)c2)c([N+](=O)[O-])c1	408890444	TZAFBKBBLQDDFG-DEDYPNTBSA-N	413.433	5.028	50	40	HKGB	
N#C/C(=C/c1cccc(OCc2cccc(Cl)c2)c1)C(=O)Nc1ccc(O)cc1	408934242	DFCRCQJZFFTQFJ-WQRHYEAKSA-N	404.853	5.170	50	40	HKGB	
COc1cc(/C=N/NC(=O)c2ccc(C)c(Cl)c2)ccc1OCc1ccc(C)cc1	409053575	NBFDBONUXLNZPK-VULFUBBASA-N	422.912	5.308	50	40	HKGB	
CCCCc1ccc(-c2csc(/C(C#N)=C/c3ccccc3C(F)(F)F)n2)cc1	4811967	CHDCGGDHXIHKCP-CPNJWEJPSA-N	412.480	7.236	50	40	HKGB	
CC1=C(/C=C\C(C)=C\C=C/C(C)=C\C=N/NC(=O)c2cccnc2)C(C)(C)CCC1	8622505	RZZQUTADLRVOLI-LPHSAVJDSA-N	403.570	6.329	50	40	HKGB	
O=C(Cc1ccc(Br)cc1)N/N=C/c1ccc(-c2ccccc2Cl)o1	9289406	AJSLPQSYZMVKGN-WSDLNYQXSA-N	417.690	5.055	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)cc1	59335512	CIRFUPRGABFSMO-GDNBJRDFSA-N	406.825	5.152	50	40	HKGB	
CC[C@H](I)C[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F	100491267	RQWFPJKYFHYRGL-WHFBIAKZSA-N	402.038	5.058	50	40	HKGB	
CC(C)(C)c1cc(/C=N\NC(=O)COc2cccc(Cl)c2)cc(C(C)(C)C)c1O	105813437	GEJBWNAGXLTWJX-MXAYSNPKSA-N	416.949	5.170	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1ccc(Cl)cc1	408587699	GRSVTPWQAWQSKP-JVWAILMASA-N	421.972	5.738	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccccc12)C(=O)NC1CCCCC1	408819747	RQNIKDFCUBRITQ-XMHGGMMESA-N	417.940	5.699	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)ccc1Cc1ccccc1Cl	408865169	BLOXHKFSPRRWHG-DEDYPNTBSA-N	421.327	6.438	50	40	HKGB	
Cc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2Cl)c(Cl)c1	409051981	PFBGIUJEXSFNDK-DHRITJCHSA-N	413.304	5.645	50	40	HKGB	
Cc1ccc(/C=C(/C#N)c2ccc(I)cc2)cc1Br	409372579	MURHRJYLQVOEGA-ZSOIEALJSA-N	424.079	5.426	50	40	HKGB	
N#CC(C#N)=C/C=C(\Sc1nc2cc(Cl)ccc2s1)c1ccc(Cl)cc1	2570741	UJZRCJBZEJHBEV-IDUWFGFVSA-N	414.342	6.710	50	40	HKGB	
CC(=O)C1=C(C)NC(SCc2cccc3ccccc23)=C(C#N)[C@H]1c1ccco1	5266860	JKIMHFDUQLHSGD-QHCPKHFHSA-N	400.503	5.651	50	40	HKGB	aggregator
CCOC(=O)c1ccc(-c2ccc(/C=N/NC(=O)c3ccc(C(C)(C)C)cc3)o2)cc1	6686378	HQAFLSIMWNUWCH-WGOQTCKBSA-N	418.493	5.185	50	40	HKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2nc3ccc(C)cc3[nH]2)cc1OC	33571324	IRPUPRQWKGSRJR-DHDCSXOGSA-N	424.298	5.271	50	40	HKGB	
C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=N/NC(=O)c3ccc4ccccc4c3)cc21	208246175	DMCOFRIASMIDQR-ZXSUQFSISA-N	419.956	5.979	50	40	HKGB	
Cc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)n1-c1ccc(Cl)c(Cl)c1	208687735	BVJSJUPNVVODPW-YBEGLDIGSA-N	407.304	6.341	50	40	HKGB	
Cc1cc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)c(C)n1-c1ccc(Cl)cc1	408737526	COTRNVOLIUQSGC-BHGWPJFGSA-N	420.727	5.818	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3cc(C)ccc3C)c2C)cc1	408746169	XTYRVQHAQYKUMV-JCMHNJIXSA-N	413.521	5.655	50	40	HKGB	
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCC	408981640	CDGZUNQRIQJDJF-NVNXTCNLSA-N	419.308	5.645	50	40	HKGB	
Cc1ccc(NC(=O)N/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1	4082067	GLWBHPQOSJVGFB-VULFUBBASA-N	416.912	5.807	50	40	HKGB	
C/C(=N/NC(=O)C1CCC(C(C)(C)C)CC1)c1cccc(NC(=O)C2CCCC2)c1	5516800	NYCLOWYZCXETQK-PKAZHMFMSA-N	411.590	5.508	50	40	HKGB	
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1	27018061	JQPCJFMJWWTJDD-HKWRFOASSA-N	418.525	6.522	50	40	HKGB	
N#C/C(=C\Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc3c(c2)OCO3)cs1	100391877	NTVGUNNGMJYPER-XYOKQWHBSA-N	416.289	5.822	50	40	HKGB	
N#C/C(=C/c1ccccc1OCc1ccc(Br)cc1)c1cccc(C#N)c1	408568026	ROOLZWZVGFACFV-BKUYFWCQSA-N	415.290	5.964	50	40	HKGB	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)Cn1cnc2ccccc21	408691601	HTLFXMABHGKZLS-ZROIWOOFSA-N	403.825	5.255	50	40	HKGB	
CCCOc1ccc2ccccc2c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	408734902	LHTGQPHQRYNVAN-NBVRZTHBSA-N	404.897	6.136	50	40	HKGB	
C=CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc1Cl	408788073	ASTZSFKOBUMXSZ-NTUHNPAUSA-N	407.684	5.757	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)Nc3cccc(Cl)c3C)o2)cc1C(=O)O	408846079	OPNKWTKWOOUXRZ-YBEGLDIGSA-N	420.852	5.461	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(OCc3ccccc3F)c2)c(C)c1	408935530	HPKNMWGSDPIJNM-BKUYFWCQSA-N	400.453	5.567	50	40	HKGB	
Cc1ccc(-c2ccc(/C=C(/C#N)c3ccc4c(c3)OCO4)o2)cc1Br	409365710	ROCFDOYSBKVCPR-PXNMLYILSA-N	408.251	5.810	50	40	HKGB	
CC[C@H](C)c1ccc(-c2cc(C(=O)N/N=C/c3cccnc3)c3ccccc3n2)cc1	2109454	WPUXMOIBMSJTSL-ADXYVXIDSA-N	408.505	5.574	50	40	HKGB	
C#CCOc1cc(Br)c(/C=C(/C#N)c2ccccc2F)cc1OCC	6595481	HRWFIAAYBPZLJC-GDNBJRDFSA-N	400.247	5.063	50	40	HKGB	
CCCCOc1ccc(/C=N/NC(=O)[C@H]2CC2(c2ccccc2)c2ccccc2)cc1	6997714	HKTPGWKMFVCVLI-OBSKASRASA-N	412.533	5.322	50	40	HKGB	
COc1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)ccc1OCc1ccccc1	12620640	XAARKNGKIRNPDA-KGENOOAVSA-N	422.484	5.854	50	40	HKGB	
CCCC[C@H](Br)C(=O)Nc1nc2c(Br)cc(F)cc2s1	20132950	OBNRAMPNBPCVAL-QMMMGPOBSA-N	424.133	5.090	50	40	HKGB	
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccc(O)cc2)c2ccccc2)cc1	77301000	OOHZFZLDKFJSRJ-QPLCGJKRSA-N	421.968	5.921	50	40	HKGB	in-vitro
CCCCSC1=C(C#N)[C@H](c2cccc(Cl)c2Cl)C2=C(O)CCCC2=N1	103158728	PSBKBDZNJZYZIY-KRWDZBQOSA-N	407.366	6.796	50	40	HKGB	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1)C(=O)Nc1ccccc1	408726401	NKTBMUVCAOBOBF-LDADJPATSA-N	423.299	6.118	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(Cc2ccccc2F)c(OC)c1	408868758	OKUOYSOJZCVQCX-HYARGMPZSA-N	414.480	5.533	50	40	HKGB	
Cc1cc(C)cc(NC(=O)N/N=C\c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)c1	408966174	KGBOAEFJPKNHLS-YUMHPJSZSA-N	416.569	6.164	50	40	HKGB	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)c(C)c1	409231683	FKLHBYKTUUWICP-OEAKJJBVSA-N	423.491	5.991	50	40	HKGB	
Cc1ccc(-n2cccc2/C=C(/C#N)C(=O)NCCCc2ccccc2)cc1Cl	409251359	POMMGYCXXUBCPQ-HKWRFOASSA-N	403.913	5.095	50	40	HKGB	
O=C1C(=C(c2ccccc2)c2ccccc2)[C@H](Cl)C(Cl)(Cl)c2ccccc21	1782861	LKXUZGZYLQQIPF-QFIPXVFZSA-N	413.731	6.623	50	40	HKGB	
Cc1ccccc1N1CSC2=C(C#N)[C@@H](c3ccc(C(C)C)cc3)CC(=O)N2C1	4923391	QYQAQWHBVSKYML-HXUWFJFHSA-N	403.551	5.338	50	40	HKGB	
N#C/C(=C\c1ccc(Br)cc1)c1nc(-c2cc3ccccc3o2)cs1	5603035	YMGXLYBEEIUMEI-OQLLNIDSSA-N	407.292	6.383	50	40	HKGB	
N#C/C(=C/Nc1cc(Cl)ccc1Cl)c1nc(-c2cccc([N+](=O)[O-])c2)cs1	13774987	MLBFQDZDTHPXSJ-XFXZXTDPSA-N	417.277	6.002	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(=O)Nc1ccccc1Cl	39884565	AVYNRWSWYARPBY-UKTHLTGXSA-N	417.679	6.452	50	40	HKGB	
CC[C@@H](Br)C(=O)Nc1sc2c(c1C#N)CC[C@@H](c1ccccc1)C2	74941542	HPIWSYWEXSCXFO-CZUORRHYSA-N	403.345	5.004	50	40	HKGB	
CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](B(O)O)CC[C@]4(C)[C@@H]3CC[C@]12C	263600016	JOCMCCBKCLSCSH-RACBGXLOSA-N	414.483	6.871	50	40	HKGB	
CCCOc1c(Br)cc(/C=C(\C#N)c2ccc(OC)cc2)cc1OCC	408581983	KNGMWVKNNGIZEM-GZTJUZNOSA-N	416.315	5.709	50	40	HKGB	
COc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)c2C)cc1	408591894	VWZSRRQZXQPONK-WYMPLXKRSA-N	416.308	5.173	50	40	HKGB	
Cc1cc(C)cc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1	408811862	MDCRENLAYBSCJB-ODLFYWEKSA-N	421.903	6.049	50	40	HKGB	
CCOC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(-c3ccc(Cl)cc3)o2)c1	2274826	HFHATXYLROXXKU-GHRIWEEISA-N	420.852	5.322	50	40	HKGB	
N#C/C(=C1/SC=C(c2cccs2)N1c1ccccc1)c1nnc2n1CCCCC2	3184077	JTMOBIVKHKSOLS-XLNRJJMWSA-N	417.563	5.510	50	40	HKGB	
Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c1	28217430	OOTBPZHEXKVYKS-WYMPLXKRSA-N	424.888	5.036	50	40	HKGB	
N#C/C(=C\c1cn(Cc2ccccc2Cl)c2ccccc12)c1cccc(Cl)c1	408599529	VTIMNTPQSXNYHF-XDHOZWIPSA-N	403.312	7.061	50	40	HKGB	
Cc1ccc(-c2cc(C(=O)N/N=C/c3ccc(F)cc3)nn2-c2ccccc2C)cc1	408725891	QRDQFFIEGLBNRE-JVWAILMASA-N	412.468	5.059	50	40	HKGB	
CCN(CC)c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3C)cc2Cl)cc1	408740467	KXCYXEZWSMDRIJ-WGOQTCKBSA-N	422.960	5.358	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)c(OCC)c(Cl)c2)cc1	408744500	LRHUABWBNKCKJD-ZROIWOOFSA-N	405.281	5.336	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1	408774936	DPVSBSJAQBNBOQ-HKWRFOASSA-N	415.512	6.076	50	40	HKGB	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(OCc2ccccc2)ccc2ccccc12	408802281	YUYZVVUEOUOLMZ-RAXSXMLISA-N	424.544	6.021	50	40	HKGB	
CCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)c(C)c2)cc1	408876493	PJUXUFSAJHUDBN-LFVJCYFKSA-N	410.517	5.991	50	40	HKGB	
N#C/C(=C\c1cccc(OCc2ccccc2)c1)C(=O)NCc1ccc(Cl)cc1	2632532	GEOAGGZSHUNQLJ-FYJGNVAPSA-N	402.881	5.142	50	40	HKGB	
O=C(N/N=C/c1ccccc1OCc1ccccc1)C(c1ccccc1)c1ccccc1	3099313	BZWWSPPCECILBP-ZTKZIYFRSA-N	420.512	5.548	50	40	HKGB	
C[C@@H]1CCc2sc(C(=O)N/N=C/c3ccccc3OCc3ccccc3)cc2C1	3389237	MOOXMEJPBWRGDI-SCELWYEFSA-N	404.535	5.216	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(C)cc1	6300156	XNKJMCCRHDVJOG-MTJSOVHGSA-N	400.434	5.555	50	40	HKGB	
C=CCOc1cc(Br)c(/C=C(/C#N)c2ccccc2F)cc1OCC	6892263	SWYSVKWTPYBSRZ-GDNBJRDFSA-N	402.263	5.616	50	40	HKGB	
CCOP(=O)(OCC)C1=C(c2ccccc2)OC(N)=C(C#N)[C@@H]1c1ccccc1	15081952	NGMXVKDYFQRWBG-IBGZPJMESA-N	410.410	5.129	50	40	HKGB	
Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1C	28217431	ZXGGTIDBCLCPME-WYMPLXKRSA-N	424.888	5.036	50	40	HKGB	
O=[P@@](Nc1cc(Cl)ccc1Cl)(c1ccccc1)c1nc2c(s1)CCCC2	101023683	UZADVCJKCJMGEE-VWLOTQADSA-N	423.305	5.670	50	40	HKGB	
CCCCCCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OCC)cc2)cc1	408538941	RVZXSRDKRUDKLG-ZBJSNUHESA-N	420.553	6.370	50	40	HKGB	
C=CCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1CC	408866845	JLYCQKGTPQTSCD-SFQUDFHCSA-N	411.299	5.122	50	40	HKGB	
O=C(N/N=C/c1ccc(Sc2ccc(Cl)cc2)c([N+](=O)[O-])c1)c1cccs1	409077197	DFGMQONIVUWXDM-RGVLZGJSSA-N	417.899	5.225	50	40	HKGB	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c(C)n1-c1ccc(F)c(Cl)c1	409234851	NHZLAWXUBRAJDK-DEFALTHMSA-N	421.903	5.671	50	40	HKGB	
Cc1cc(OCC(=O)N/N=C/c2ccc(-c3cccc(Cl)c3)o2)ccc1Cl	3034302	GKTZFEUZRBFZIL-FOKLQQMPSA-N	403.265	5.091	50	40	HKGB	
Cc1cc(-c2ccc(/C=C(\C#N)C(=O)NC3CCCCC3)o2)ccc1Br	4615170	LPJKQYZNQQPBHL-FOWTUZBSSA-N	413.315	5.373	50	40	HKGB	
CC(C)c1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	5966123	BMNXIWRWBHFIDI-NTUHNPAUSA-N	404.253	5.571	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)Sc1nc2ccccc2s1	6345358	SUYFLDNSUUYHHG-LFIBNONCSA-N	404.472	5.911	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccc(F)cc1	8812188	JQYOSXOYVIIBMK-LGJNPRDNSA-N	405.860	5.246	50	40	HKGB	
O=C1C=C/C(=N\c2cc3c(cc2Br)-c2ccccc2[C@H]3Br)O1	17163653	WTVONIADQHDGGU-FABDANFUSA-N	419.072	5.057	50	40	HKGB	
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2ccccn2)c1	43078835	VUGOTMGESIXKQC-JXAWBTAJSA-N	408.461	5.016	50	40	HKGB	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	96398837	PJRFJEVCSYQKKR-IMQIKVDYSA-N	409.533	5.497	50	40	HKGB	
CC(C)(C)NP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1	104074231	OQKWXZPQWWNXKI-UHFFFAOYSA-N	414.327	5.129	50	40	HKGB	
COc1ccc(Cl)cc1-n1c(C)cc(/C=C(/C#N)c2cccc([N+](=O)[O-])c2)c1C	107722042	NHPMZBIZAYNVMN-ZDLGFXPLSA-N	407.857	5.729	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2C(C)=CC1(C)C	208511238	QGJQFDMUOFYKPU-MZJWZYIUSA-N	415.459	5.491	50	40	HKGB	
Cc1cc2c(cc1/C=N\NC(=O)c1cc3ccccc3o1)[C@H](C)CC(C)(C)N2C(C)C	223611922	MMNUECWLNXFXNI-AKDVYYJXSA-N	417.553	6.006	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccc(C(C)(C)C)cc2)c(C)n1-c1cccc(Cl)c1	408589595	MCHBQZDBWLBLSE-JVWAILMASA-N	421.972	5.738	50	40	HKGB	
Cc1ccc(Cl)cc1-n1c(C)cc(/C=N/NC(=O)CC2(C)SCCS2)c1C	408590209	OCGNPVDPTMPQRB-WSDLNYQXSA-N	422.019	5.092	50	40	HKGB	
CCOC(=O)Cn1c(C)c(/C=C(\C#N)Sc2nc3ccccc3[nH]2)c2ccccc21	408599375	TYAKMLAWXKVFFO-FOWTUZBSSA-N	416.506	5.046	50	40	HKGB	
Cc1ccc(-c2ccc(/C=N/NC(=O)c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	408722057	CRJVOTAXLPJWOI-LSHDLFTRSA-N	418.236	5.234	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc(F)cc3)c2C)cc1	408744491	LORFSNWAJMHFJB-RGEXLXHISA-N	403.457	5.178	50	40	HKGB	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)c(OCC)cc2OCC)cc1	408795622	MLWILMBBDNWAOL-LFIBNONCSA-N	414.889	5.082	50	40	HKGB	
N#C/C(=C\c1c(Cc2ccccc2F)ccc2ccccc12)C(=O)Nc1ccccc1	408877312	UPGWORADELTWCR-OQKWZONESA-N	406.460	6.115	50	40	HKGB	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4ncccc4c3)c2C)c1	408967452	RSJKSPBYLBQHGA-BKUYFWCQSA-N	422.488	5.197	50	40	HKGB	
Cc1ccc(SCCC(=O)N/N=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1	409131502	VWXAUOTYLCJUIW-WGOQTCKBSA-N	419.594	5.652	50	40	HKGB	
CCOc1ccc2oc(C(=O)N/N=C\c3ccc(O[C@H](C)CC)c(Cl)c3)cc2c1	409187115	MFRKKKAYRDMWFA-GKBXUSSOSA-N	414.889	5.426	50	40	HKGB	
N#C/C(=C\c1ccc(-c2ccccc2Br)o1)c1cccc(C(F)(F)F)c1	3305466	FQEYOFNOYOPHQT-SDNWHVSQSA-N	418.212	6.792	50	40	HKGB	
CCCCOc1ccc(N/C=C(\C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1	4793906	UROHMGJLUCBFTB-GHRIWEEISA-N	419.506	5.694	50	40	HKGB	
COc1ccc(-c2csc(/C(C#N)=C\c3cc(Cl)c(O)c(Cl)c3)n2)cc1	5342315	OMYOYDDLVOVMEB-MLPAPPSSSA-N	403.290	5.895	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3ccccc3)c(OC)c2)cc1OC	6457889	FVKYLTXNVULQIN-FYJGNVAPSA-N	401.462	5.356	50	40	HKGB	
C=CCOc1cccc(/C=N/NC(=O)c2ccc(CSc3ccccc3)cc2)c1	59473783	GKAHKFVMUKZRDW-KOEQRZSOSA-N	402.519	5.308	50	40	HKGB	
CCn1c2ccccc2c2cc(/C=C(\C#N)C(=O)Nc3ccc(Cl)cc3C)ccc21	408859930	VQUMSCASAWNFMK-QGOAFFKASA-N	413.908	6.322	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2ccccc2)c(C)n1-c1ccc(-c2ccccc2)cc1	408988146	CWSNLHBJFPPZGJ-TURZUDJPSA-N	407.517	5.454	50	40	HKGB	
Cc1cc(/C=N/NC(=O)Cc2cccs2)c(C)n1-c1ccc(Cl)c(Cl)c1	409201754	XTRSDXCXVPRKME-SSDVNMTOSA-N	406.338	5.155	50	40	HKGB	
COc1cc(/C=C(/C#N)c2cccc(F)c2)ccc1OCc1ccc(C(=O)O)cc1	409390457	FNBTWPPLBJFTOG-JAIQZWGSSA-N	403.409	5.176	50	40	HKGB	
N#C/C(=C\c1cc(Cl)c(O)c(Cl)c1)C(=O)Nc1cccc(Cl)c1Cl	1095532	DDKNYDWLEVGXTG-RUDMXATFSA-N	402.064	5.551	50	40	HKGB	
N#C/C(=C\c1cccn1-c1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1Cl	4092114	CJSMETQLTOWYGW-SDNWHVSQSA-N	415.802	5.695	50	40	HKGB	
C/C(=N/NC(=O)COc1ccc(Cl)cc1Cl)c1ccc(C2CCCCC2)cc1	5494383	SDVRMYMJVMXVOU-MYYYXRDXSA-N	419.352	5.960	50	40	HKGB	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1	6413233	XEBPQZURBKWDFC-JXAWBTAJSA-N	410.502	5.455	50	40	HKGB	
O=C(N/N=C/c1cn(Cc2ccccc2Cl)c2ccccc12)c1ccc(F)cc1	8812187	KRRTTXRYHQOZMI-LGJNPRDNSA-N	405.860	5.246	50	40	HKGB	
CN(C)c1ccc(/C=C(\C#N)c2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1	12524770	LSPWAVFMMHNLDH-LTGZKZEYSA-N	423.541	6.733	50	40	HKGB	
O=C(Oc1ccc(/C=N/NC(=O)c2sc3ccccc3c2Cl)cc1)c1ccco1	26965286	QZBMTMGVZWDVJF-FSJBWODESA-N	424.865	5.131	50	40	HKGB	
COc1cc(/C=C/C#N)cc(Br)c1OCc1ccc(Cl)cc1Cl	33482990	YSZVJTMPFKMACW-NSCUHMNNSA-N	413.098	5.880	50	40	HKGB	
C/C(CC(=O)Nc1ccccc1-c1ccccc1)=N\NC(=O)c1cccc(Cl)c1	100924783	UOCBYJNWJMLEOI-WGOQTCKBSA-N	405.885	5.142	50	40	HKGB	
CCN1c2ccc(/C=N/NC(=O)c3cccc(C(F)(F)F)c3)cc2[C@@H](C)CC1(C)C	223541010	AYJVYPCPFAOKEW-FYDYWCEBSA-N	417.475	5.581	50	40	HKGB	
N#C/C(=C/c1ccccc1I)c1cccc(Br)c1	408551954	PPWVSWIEFFYGFT-JYRVWZFOSA-N	410.052	5.118	50	40	HKGB	
COc1ccc(/C(C#N)=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)cc1	408582735	PRENQPOUAZAZDO-LFVJCYFKSA-N	421.496	6.500	50	40	HKGB	
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccccc2OCc2ccc(Cl)cc2)c1	408796482	OITUHBRZWJUPFX-KGENOOAVSA-N	416.908	6.082	50	40	HKGB	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c(Cc2cc(C)cc(C)c2)c1	408869121	QVHTTXXMAMYOBM-BUVRLJJBSA-N	410.517	5.757	50	40	HKGB	
CCc1ccccc1-n1c(C)cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c1C	408964762	DURYRTAELZYMAM-MTJSOVHGSA-N	419.532	5.665	50	40	HKGB